FN Thomson Reuters Web of Science™
VR 1.0
PT J
AU Oberhardt, MA
Zarecki, R
Reshef, L
Xia, FF
Duran-Frigola, M
Schreiber, R
Henry, CS
Ben-Tal, N
Dwyer, DJ
Gophna, U
Ruppin, E
AF Oberhardt, Matthew A.
Zarecki, Raphy
Reshef, Leah
Xia, Fangfang
Duran-Frigola, Miguel
Schreiber, Rachel
Henry, Christopher S.
Ben-Tal, Nir
Dwyer, Daniel J.
Gophna, Uri
Ruppin, Eytan
TI Systems-Wide Prediction of Enzyme Promiscuity Reveals a New Underground
Alternative Route for Pyridoxal 5'-Phosphate Production in E-coli
SO PLOS COMPUTATIONAL BIOLOGY
LA English
DT Article
ID BACILLUS-SUBTILIS; MULTICOPY SUPPRESSION; BIOSYNTHESIS; EVOLVABILITY;
EVOLUTION; PATHWAYS; GENES; K-12; RECONSTRUCTION; INFORMATION
AB Recent insights suggest that non-specific and/or promiscuous enzymes are common and active across life. Understanding the role of such enzymes is an important open question in biology. Here we develop a genome-wide method, PROPER, that uses a permissive PSI-BLAST approach to predict promiscuous activities of metabolic genes. Enzyme promiscuity is typically studied experimentally using multicopy suppression, in which over-expression of a promiscuous 'replacer' gene rescues lethality caused by inactivation of a 'target' gene. We use PROPER to predict multicopy suppression in Escherichia coli, achieving highly significant overlap with published cases (hypergeometric p = 4.4e-13). We then validate three novel predicted target-replacer gene pairs in new multicopy suppression experiments. We next go beyond PROPER and develop a network-based approach, GEM-PROPER, that integrates PROPER with genome-scale metabolic modeling to predict promiscuous replacements via alternative metabolic pathways. GEM-PROPER predicts a new indirect replacer (thiG) for an essential enzyme (pdxB) in production of pyridoxal 5'-phosphate (the active form of Vitamin B-6), which we validate experimentally via multicopy suppression. We perform a structural analysis of thiG to determine its potential promiscuous active site, which we validate experimentally by inactivating the pertaining residues and showing a loss of replacer activity. Thus, this study is a successful example where a computational investigation leads to a network-based identification of an indirect promiscuous replacement of a key metabolic enzyme, which would have been extremely difficult to identify directly.
C1 [Oberhardt, Matthew A.; Zarecki, Raphy; Ruppin, Eytan] Tel Aviv Univ, Sch Comp Sci, IL-69978 Tel Aviv, Israel.
[Oberhardt, Matthew A.; Zarecki, Raphy; Ruppin, Eytan] Tel Aviv Univ, Sackler Sch Med, IL-69978 Tel Aviv, Israel.
[Oberhardt, Matthew A.; Reshef, Leah; Schreiber, Rachel; Gophna, Uri] Tel Aviv Univ, Fac Life Sci, Dept Mol Microbiol & Biotechnol, IL-69978 Tel Aviv, Israel.
[Oberhardt, Matthew A.; Ruppin, Eytan] Univ Maryland, Dept Comp Sci, Ctr Bioinformat & Computat Biol, College Pk, MD 20742 USA.
[Xia, Fangfang; Henry, Christopher S.] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Duran-Frigola, Miguel] Inst Res Biomed IRB Barcelona, Joint IRB BSC CRG Program Computat Biol, Barcelona, Spain.
[Ben-Tal, Nir] Tel Aviv Univ, George S Wise Fac Life Sci, Dept Biochem & Mol Biol, IL-69978 Tel Aviv, Israel.
[Dwyer, Daniel J.] Univ Maryland, Inst Phys Sci & Technol, Dept Cell Biol & Mol Genet, Dept Bioengn,Maryland Pathogen Res Inst, College Pk, MD 20742 USA.
RP Oberhardt, MA; Ruppin, E (reprint author), Tel Aviv Univ, Sch Comp Sci, IL-69978 Tel Aviv, Israel.; Oberhardt, MA; Ruppin, E (reprint author), Tel Aviv Univ, Sackler Sch Med, IL-69978 Tel Aviv, Israel.; Oberhardt, MA (reprint author), Tel Aviv Univ, Fac Life Sci, Dept Mol Microbiol & Biotechnol, IL-69978 Tel Aviv, Israel.; Oberhardt, MA; Ruppin, E (reprint author), Univ Maryland, Dept Comp Sci, Ctr Bioinformat & Computat Biol, College Pk, MD 20742 USA.
EM mattoby@gmail.com; ruppin@post.tau.ac.il
FU Whitaker Foundation (Whitaker International Scholars Program); Dan David
Fellowship; European Union FP7 INFECT project; ERA-Net Plant project;
I-CORE Program of the Planning and Budgeting Committee and The Israel
Science Foundation [41/11]; McDonnell foundation; German-Israeli Project
Cooperation (DIP); Spanish FPU grant [FPU_2013]; FEBS short term
fellowship of I-CORE Program of the Planning and Budgeting Committee and
The Israel Science Foundation [1775/12]
FX The funders had no role in study design, data collection and analysis,
decision to publish, or preparation of the manuscript. Funding agencies:
(MO) Whitaker Foundation (Whitaker International Scholars Program)
(http://www.whitaker.org/grants/fellows-scholars) (MO) Dan David
Fellowship (http://www.dandavidprize.org/scholarship-applications) (ER)
European Union FP7 INFECT project (http://www.fp7infect.eu/) ERA-Net
Plant project (http://www.erapg.org/publicpage.m?key=everyone&trail=/
everyone) ER) I-CORE Program of the Planning and Budgeting Committee and
The Israel Science Foundation (grant No 41/11) (www.i-core.org.il/ISF)
(UG) McDonnell foundation (https://www.jsmf.org/)(UG) German-Israeli
Project Cooperation (DIP)
(http://www.dfg.de/en/research_funding/programmes/international_cooperat
ion/german_israeli_cooperation/) (MD) Spanish FPU grant
(http://cepima.upc.edu/positions/FPU_2013) (MD) FEBS short term
fellowship
(http://www.febs.org/our-activities/fellowships/febs-shortterm-fellowshi
ps/guidelines-for-febs-short-termfellowships) (NBT) Grant No. 1775/12 of
the I-CORE Program of the Planning and Budgeting Committee and The
Israel Science Foundation
NR 41
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U1 3
U2 6
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1553-734X
EI 1553-7358
J9 PLOS COMPUT BIOL
JI PLoS Comput. Biol.
PD JAN
PY 2016
VL 12
IS 1
AR e1004705
DI 10.1371/journal.pcbi.1004705
PG 19
WC Biochemical Research Methods; Mathematical & Computational Biology
SC Biochemistry & Molecular Biology; Mathematical & Computational Biology
GA DC6YS
UT WOS:000369366100034
PM 26821166
ER
PT J
AU Pandrea, I
Xu, CL
Stock, JL
Frank, DN
Ma, DZ
Policicchio, BB
He, TY
Kristoff, J
Cornell, E
Haret-Richter, GS
Trichel, A
Ribeiro, RM
Tracy, R
Wilson, C
Landay, AL
Apetrei, C
AF Pandrea, Ivona
Xu, Cuiling
Stock, Jennifer L.
Frank, Daniel N.
Ma, Dongzhu
Policicchio, Benjamin B.
He, Tianyu
Kristoff, Jan
Cornell, Elaine
Haret-Richter, George S.
Trichel, Anita
Ribeiro, Ruy M.
Tracy, Russell
Wilson, Cara
Landay, Alan L.
Apetrei, Cristian
TI Antibiotic and Antiinflammatory Therapy Transiently Reduces Inflammation
and Hypercoagulation in Acutely SIV-Infected Pigtailed Macaques
SO PLOS PATHOGENS
LA English
DT Article
ID CD4(+) T-CELLS; AFRICAN-GREEN MONKEYS; CHRONIC HIV-INFECTION; SYSTEMIC
IMMUNE ACTIVATION; RIBOSOMAL-RNA GENES; MICROBIAL TRANSLOCATION;
ANTIRETROVIRAL THERAPY; NATURAL HOSTS; DISEASE PROGRESSION; VIRAL
REPLICATION
AB Increased chronic immune activation and inflammation are hallmarks of HIV/SIV infection and are highly correlated with progression to AIDS and development of non-AIDS comorbidities, such as hypercoagulability and cardiovascular disease. Intestinal dysfunction resulting in microbial translocation has been proposed as a lead cause of systemic immune activation and hypercoagulability in HIV/SIV infection. Our goal was to assess the biological and clinical impact of a therapeutic strategy designed to reduce microbial translocation through reduction of the microbial content of the intestine (Rifaximin-RFX) and of gut inflammation (Sulfasalazine-SFZ). RFX is an intraluminal antibiotic that was successfully used in patients with hepatic encephalopathy. SFZ is an antiinflammatory drug successfully used in patients with mild to moderate inflammatory bowel disease. Both these clinical conditions are associated with increased microbial translocation, similar to HIV-infected patients. Treatment was administered for 90 days to five acutely SIV-infected pigtailed macaques (PTMs) starting at the time of infection; seven untreated SIVsab-infected PTMs were used as controls. RFX+ SFZ were also administered for 90 days to three chronically SIVsab-infected PTMs. RFX+ SFZ administration during acute SIVsab infection of PTMs resulted in: significantly lower microbial translocation, lower systemic immune activation, lower viral replication, better preservation of mucosal CD4(+) T cells and significantly lower levels of hypercoagulation biomarkers. This effect was clear during the first 40 days of treatment and was lost during the last stages of treatment. Administration of RFX+SFZ to chronically SIVsab-infected PTMs had no discernible effect on infection. Our data thus indicate that early RFX+SFZ administration transiently improves the natural history of acute and postacute SIV infection, but has no effect during chronic infection.
C1 [Pandrea, Ivona; Xu, Cuiling; Stock, Jennifer L.; Ma, Dongzhu; Policicchio, Benjamin B.; He, Tianyu; Kristoff, Jan; Haret-Richter, George S.; Trichel, Anita; Apetrei, Cristian] Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA.
[Pandrea, Ivona] Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA USA.
[Frank, Daniel N.; Wilson, Cara] Univ Colorado, Dept Med, Aurora, CO USA.
[Ma, Dongzhu; Apetrei, Cristian] Univ Pittsburgh, Sch Med, Dept Microbiol & Mol Genet, Pittsburgh, PA USA.
[Cornell, Elaine; Tracy, Russell] Univ Vermont, Dept Pathol & Lab Med, Burlington, VT USA.
[Trichel, Anita] Univ Pittsburgh, Sch Med, Div Lab Anim Resources, Pittsburgh, PA USA.
[Ribeiro, Ruy M.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA.
[Landay, Alan L.] Rush Univ, Med Ctr, Dept Immunol & Microbiol, Chicago, IL 60612 USA.
RP Pandrea, I (reprint author), Univ Pittsburgh, Ctr Vaccine Res, Pittsburgh, PA USA.; Pandrea, I (reprint author), Univ Pittsburgh, Sch Med, Dept Pathol, Pittsburgh, PA USA.
EM pandrea@pitt.edu
OI Ribeiro, Ruy/0000-0002-3988-8241
FU NIH/NIBHL/NCRR [RO1 HL117715, R01 RR025781]
FX This work was supported by NIH/NIBHL/NCRR grants RO1 HL117715 (IP) and
R01 RR025781 (CA and IP). The funders had no role in study design, data
collection and analysis, decision to publish, or preparation of the
manuscript.
NR 90
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U1 0
U2 1
PU PUBLIC LIBRARY SCIENCE
PI SAN FRANCISCO
PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA
SN 1553-7366
EI 1553-7374
J9 PLOS PATHOG
JI PLoS Pathog.
PD JAN
PY 2016
VL 12
IS 1
AR e1005384
DI 10.1371/journal.ppat.1005384
PG 26
WC Microbiology; Parasitology; Virology
SC Microbiology; Parasitology; Virology
GA DC7BX
UT WOS:000369374500038
PM 26764484
ER
PT J
AU Choi, MJ
Park, HK
Yun, GS
Nam, YB
Choe, GH
Lee, W
Jardin, S
AF Choi, M. J.
Park, H. K.
Yun, G. S.
Nam, Y. B.
Choe, G. H.
Lee, W.
Jardin, S.
TI Post calibration of the two-dimensional electron cyclotron emission
imaging instrument with electron temperature characteristics of the
magnetohydrodynamic instabilities
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID FLUCTUATION MEASUREMENTS; SAWTOOTH CRASHES; TOKAMAK PLASMAS; DENSITY
AB The electron cyclotron emission imaging (ECEI) instrument is widely used to study the local electron temperature (T-e) fluctuations by measuring the ECE intensity I-ECE proportional to T-e in tokamak plasmas. The ECEI measurement is often processed in a normalized fluctuation quantity against the time averaged value due to complication in absolute calibration. In this paper, the ECEI channels are relatively calibrated using the flat T-e assumption of the sawtooth crash or the tearing mode island and a proper extrapolation. The 2-D relatively calibrated electron temperature (T-e,T-rel) images are reconstructed and the displacement amplitude of the magnetohydrodynamic modes can be measured for the accurate quantitative growth analysis. (C) 2016 AIP Publishing LLC.
C1 [Choi, M. J.; Park, H. K.] Natl Fus Res Inst, Daejeon 34133, South Korea.
[Park, H. K.; Lee, W.] Ulsan Natl Inst Sci & Technol, Ulsan 689798, South Korea.
[Yun, G. S.; Nam, Y. B.; Choe, G. H.] Pohang Univ Sci & Technol, Pohang 790784, Gyeongbuk, South Korea.
[Jardin, S.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
RP Choi, MJ (reprint author), Natl Fus Res Inst, Daejeon 34133, South Korea.
EM mjchoi@nfri.re.kr
FU Korea Ministry of Science, ICT and Future Planning [OR1509]; NRF Korea
[NRF-2014M1A7A1A03029865, NRF-2014M1A7A1A03029881]; U.S. Department of
Energy [DE-AC02-09CH1146]; SciDAC Center for Extended MHD Modeling
FX This work is supported by Korea Ministry of Science, ICT and Future
Planning under Contract No. OR1509, NRF Korea under Grant Nos.
NRF-2014M1A7A1A03029865 and NRF-2014M1A7A1A03029881 and partially
supported by the U.S. Department of Energy under Award No.
DE-AC02-09CH1146 and the SciDAC Center for Extended MHD Modeling.
NR 33
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U1 2
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013506
DI 10.1063/1.4940030
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900020
PM 26827320
ER
PT J
AU Lee, JH
Tung, IC
Chang, SH
Bhattacharya, A
Fong, DD
Freeland, JW
Hong, H
AF Lee, J. H.
Tung, I. C.
Chang, S. -H.
Bhattacharya, A.
Fong, D. D.
Freeland, J. W.
Hong, Hawoong
TI In situ surface/interface x-ray diffractometer for oxide molecular beam
epitaxy
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID DIFFRACTION; GROWTH
AB In situ studies of oxide molecular beam epitaxy by synchrotron x-ray scattering has been made possible by upgrading an existing UHV/molecular beam epitaxy (MBE) six-circle diffractometer system. For oxide MBE growth, pure ozone delivery to the chamber has been made available, and several new deposition sources have been made available on a new 12 in. CF (ConFlat, a registered trademark of Varian, Inc.) flange. X-ray diffraction has been used as a major probe for film growth and structures for the system. In the original design, electron diffraction was intended for the secondary diagnostics available without the necessity of the x-ray and located at separate positions. Deposition of films was made possible at the two diagnostic positions. And, the aiming of the evaporation sources is fixed to the point between two locations. Ozone can be supplied through two separate nozzles for each location. Also two separate thickness monitors are installed. Additional features of the equipment are also presented together with the data taken during typical oxide film growth to illustrate the depth of information available via in situ x-ray techniques. (C) 2016 AIP Publishing LLC.
C1 [Lee, J. H.; Tung, I. C.; Freeland, J. W.; Hong, Hawoong] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Tung, I. C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA.
[Chang, S. -H.; Bhattacharya, A.; Fong, D. D.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Lee, J. H.] Korean Atom Energy Res Inst, 111 Daedeok Daero,989 Beon Gil, Daejeon, South Korea.
[Chang, S. -H.] Pukyong Natl Univ, Dept Phys, 45 Yongso Ro, Busan, South Korea.
RP Hong, H (reprint author), Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM hhong@aps.anl.gov
RI Bhattacharya, Anand/G-1645-2011;
OI Bhattacharya, Anand/0000-0002-6839-6860; Tung,
I-Cheng/0000-0002-6093-1400
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX The authors acknowledge discussions with D. G. Schlom, and S. A.
Chambers. S.H.C., A.B., and D.D.F. were supported by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division. Work performed at Argonne National
Laboratory, including 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 12
TC 1
Z9 1
U1 1
U2 9
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013901
DI 10.1063/1.4939100
PG 5
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900027
PM 26827327
ER
PT J
AU Mauro, NA
Vogt, AJ
Derendorf, KS
Johnson, ML
Rustan, GE
Quirinale, DG
Kreyssig, A
Lokshin, KA
Neuefeind, JC
An, K
Wang, XL
Goldman, AI
Egami, T
Kelton, KF
AF Mauro, N. A.
Vogt, A. J.
Derendorf, K. S.
Johnson, M. L.
Rustan, G. E.
Quirinale, D. G.
Kreyssig, A.
Lokshin, K. A.
Neuefeind, J. C.
An, Ke
Wang, Xun-Li
Goldman, A. I.
Egami, T.
Kelton, K. F.
TI Electrostatic levitation facility optimized for neutron diffraction
studies of high temperature liquids at a spallation neutron source
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID X-RAY-DIFFRACTION; MEDIUM-RANGE ORDER; METALLIC GLASSES; MELTS
AB Neutron diffraction studies of metallic liquids provide valuable information about inherent topological and chemical ordering on multiple length scales as well as insight into dynamical processes at the level of a few atoms. However, there exist very few facilities in the world that allow such studies to be made of reactive metallic liquids in a containerless environment, and these are designed for use at reactor-based neutron sources. We present an electrostatic levitation facility, NESL (for Neutron ElectroStatic Levitator), which takes advantage of the enhanced capabilities and increased neutron flux available at spallation neutron sources (SNSs). NESL enables high quality elastic and inelastic neutron scattering experiments to be made of reactive metallic and other liquids in the equilibrium and supercooled temperature regime. The apparatus is comprised of a high vacuum chamber, external and internal neutron collimation optics, and a sample exchange mechanism that allows up to 30 samples to be processed between chamber openings. Two heating lasers allow excellent sample temperature homogeneity, even for samples approaching 500 mg, and an automated temperature control system allows isothermal measurements to be conducted for times approaching 2 h in the liquid state, with variations in the average sample temperature of less than 0.5%. To demonstrate the capabilities of the facility for elastic scattering studies of liquids, a high quality total structure factor for Zr64Ni36 measured slightly above the liquidus temperature is presented from experiments conducted on the nanoscale-ordered materials diffractometer (NOMAD) beam line at the SNS after only 30 min of acquisition time for a small sample (similar to 100 mg). (C) 2016 AIP Publishing LLC.
C1 [Mauro, N. A.] North Cent Coll, Dept Phys, Naperville, IL 60540 USA.
[Vogt, A. J.] Oak Ridge Natl Lab, Instrument & Source Div, Oak Ridge, TN 37831 USA.
[Derendorf, K. S.] Washington Univ, Mech Engn & Mat Sci, St Louis, MO 63130 USA.
[Johnson, M. L.; Kelton, K. F.] Washington Univ, Dept Phys, 1 Brookings Dr, St Louis, MO 63130 USA.
[Johnson, M. L.; Kelton, K. F.] Washington Univ, Inst Mat Sci & Engn, 1 Brookings Dr, St Louis, MO 63130 USA.
[Rustan, G. E.; Quirinale, D. G.; Kreyssig, A.; Goldman, A. I.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.
[Kreyssig, A.] Ames Lab, Div Mat Sci & Engn, Ames, IA 50011 USA.
[Lokshin, K. A.; Egami, T.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Lokshin, K. A.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA.
[Neuefeind, J. C.; An, Ke] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
[Wang, Xun-Li] City Univ Hong Kong, Dept Phys & Mat Sci, 83 Tat Chee Ave, Kowloon, Hong Kong, Peoples R China.
[Egami, T.] Univ Tennessee, Joint Inst Neutron Sci, Dept Phys & Astron, Knoxville, TN 37996 USA.
RP Mauro, NA (reprint author), North Cent Coll, Dept Phys, Naperville, IL 60540 USA.
EM namauro@noctrl.edu
RI An, Ke/G-5226-2011; Neuefeind, Joerg/D-9990-2015;
OI An, Ke/0000-0002-6093-429X; Neuefeind, Joerg/0000-0002-0563-1544;
Johnson, Mark/0000-0003-2022-9163; Wang, Xun-Li/0000-0003-4060-8777;
Vogt, Adam/0000-0002-8448-4588
FU National Science Foundation [DMR-0959465, DMR-1308099]; U.S. Department
of Energy, Office of Basic Energy Science, Division of Materials
Sciences and Engineering [DE-AC02-07CH11358]
FX The design, construction and testing of NESL were supported by the
National Science Foundation under Grant No. DMR-0959465. The work at
Iowa State University was supported by the National Science Foundation
under Grant No. DMR-1308099. A.K. acknowledges partial support from the
U.S. Department of Energy, Office of Basic Energy Science, Division of
Materials Sciences and Engineering under Contract No. DE-AC02-07CH11358.
Use of the Spallation Neutron Source at Oak Ridge National Laboratory
was supported by the U.S. Department of Energy, Office of Basic Energy
Sciences, Scientific User Facilities Division. Help from Tony Biondo,
Justin Carmichael, John Carruth, Cory Fletcher, Todd Hardt, Kenneth
Herwig, Denny Huelsman, Mark Loguillo, Mark Rennich, and Harley
Skorpenske is gratefully acknowledged. Any opinions, findings, and
conclusions or recommendations expressed in this material are those of
the author(s) and do not necessarily reflect the views of the NSF.
NR 34
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PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013904
DI 10.1063/1.4939194
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900030
PM 26827330
ER
PT J
AU Shukla, RA
Achanta, VG
Dugad, SR
Freeman, J
Garde, CS
Gupta, SK
Khandekar, PD
Kurup, AM
Lokhandwala, SS
Los, S
Prabhu, SS
Rakshe, PS
AF Shukla, R. A.
Achanta, V. G.
Dugad, S. R.
Freeman, J.
Garde, C. S.
Gupta, S. K.
Khandekar, P. D.
Kurup, A. M.
Lokhandwala, S. S.
Los, S.
Prabhu, S. S.
Rakshe, P. S.
TI Multi-channel programmable power supply with temperature compensation
for silicon sensors
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID PET; PHOTOMULTIPLIER; STABILIZATION; GRAPES-3; GAIN
AB Silicon Photo-Multipliers (SiPMs) are increasingly becoming popular for discrete photon counting applications due to the wealth of advantages they offer over conventional photo-detectors such as photo-multiplier tubes and hybrid photo-diodes. SiPMs are used in variety of applications ranging from high energy physics and nuclear physics experiments to medical diagnostics. The gain of a SiPM is directly proportional to the difference between applied and breakdown voltage of the device. However, the breakdown voltage depends critically on the ambient temperature and has a large temperature co-efficient in the range of 40-60 mV/degrees C resulting in a typical gain variation of 3%-5%/degrees C [Dinu et al., in IEEE Nuclear Science Symposium, Medical Imaging Conference and 17th Room Temperature Semiconductor Detector Workshop (IEEE, 2010), p. 215]. We plan to use the SiPM as a replacement for PMT in the cosmic ray experiment (GRAPES-3) at Ooty [Gupta et al., Nucl. Instrum. Methods Phys. Res., Sect. A 540, 311 (2005)]. There the SiPMs will be operated in an outdoor environment subjected to temperature variation of about 15 degrees C over a day. A gain variation of more than 50% was observed for such large variations in the temperature. To stabilize the gain of the SiPM under such operating conditions, a low-cost, multi-channel programmable power supply (0-90 V) was designed that simultaneously provides the bias voltage to 16 SiPMs. The programmable power supply (PPS) was designed to automatically adjust the operating voltage for each channel with a built-in closed loop temperature feedback mechanism. The PPS provides bias voltage with a precision of 6mV and measures the load current with a precision of 1 nA. Using this PPS, a gain stability of 0.5% for SiPM (Hamamatsu, S10931-050P) has been demonstrated over a wide temperature range of 15 degrees C. The design methodology of the PPS system, its validation, and the results of the tests carried out on the SiPM is presented in this article. The proposed design also has the capability of gain stabilization of devices with non-linear thermal response. (C) 2016 AIP Publishing LLC.
C1 [Shukla, R. A.; Achanta, V. G.; Dugad, S. R.; Gupta, S. K.; Kurup, A. M.; Lokhandwala, S. S.; Prabhu, S. S.] Tata Inst Fundamental Res, Homi Bhabha Rd, Bombay 400005, Maharashtra, India.
[Freeman, J.; Los, S.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.
[Garde, C. S.; Khandekar, P. D.; Rakshe, P. S.] Vishwakarma Inst Informat Technol, Pune 411048, Maharashtra, India.
[Gupta, S. K.; Rakshe, P. S.] Cosm Ray Lab, GRAPES Expt 3, Raj Bhavan 643001, Ooty, India.
RP Dugad, SR (reprint author), Tata Inst Fundamental Res, Homi Bhabha Rd, Bombay 400005, Maharashtra, India.
EM dugad@cern.ch
NR 19
TC 1
Z9 1
U1 2
U2 5
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 015114
DI 10.1063/1.4940424
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900060
PM 26827360
ER
PT J
AU Sjue, SKL
Mariam, FG
Merrill, FE
Morris, CL
Saunders, A
AF Sjue, S. K. L.
Mariam, F. G.
Merrill, F. E.
Morris, C. L.
Saunders, A.
TI High order magnetic optics for high dynamic range proton radiography at
a kinetic energy of 800 MeV
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID MULTIPLE COULOMB SCATTERING; MONTE-CARLO SIMULATIONS; CHARGED-PARTICLES;
COSY INFINITY
AB Flash radiography with 800 MeV kinetic energy protons at Los Alamos National Laboratory is an important experimental tool for investigations of dynamic material behavior driven by high explosives or pulsed power. The extraction of quantitative information about density fields in a dynamic experiment from proton generated images requires a high fidelity model of the proton imaging process. It is shown that accurate calculations of the transmission through the magnetic lens system require terms beyond second order for protons far from the tune energy. The approach used integrates the correlated multiple Coulomb scattering distribution simultaneously over the collimator and the image plane. Comparison with a series of static calibration images demonstrates the model's accurate reproduction of both the transmission and blur over a wide range of tune energies in an inverse identity lens that consists of four quadrupole electromagnets. (C) 2016 AIP Publishing LLC.
C1 [Sjue, S. K. L.; Mariam, F. G.; Merrill, F. E.; Morris, C. L.; Saunders, A.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
RP Sjue, SKL (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA.
EM sjue@lanl.gov
OI Morris, Christopher/0000-0003-2141-0255; Sjue, Sky/0000-0001-9458-1253
FU Advanced Radiography Science Campaign (C3) at Los Alamos National
Laboratory
FX Sky Sjue thanks John Zumbro for the original inspiration to learn how to
use COSY INFINITY, as well as Alexis E. Schach von Wittenau for some
illuminating comments. This work was supported by the Advanced
Radiography Science Campaign (C3) at Los Alamos National Laboratory.
NR 11
TC 0
Z9 0
U1 0
U2 0
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 015110
DI 10.1063/1.4939822
PG 7
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900056
PM 26827356
ER
PT J
AU Wang, CL
Riedel, RA
AF Wang, C. L.
Riedel, R. A.
TI Improved neutron-gamma discrimination for a Li-6-glass neutron detector
using digital signal analysis methods
SO REVIEW OF SCIENTIFIC INSTRUMENTS
LA English
DT Article
ID PULSE-SHAPE DISCRIMINATION; SCINTILLATORS; EFFICIENCY; CAMERA
AB A Li-6-glass scintillator (GS20) based neutron Anger camera was developed for time-of-flight single-crystal diffraction instruments at Spallation Neutron Source. Traditional Pulse-Height Analysis (PHA) for Neutron-Gamma Discrimination (NGD) resulted in the neutron-gamma efficiency ratio (defined as NGD ratio) on the order of 10(4). The NGD ratios of Anger cameras need to be improved for broader applications including neutron reflectometers. For this purpose, six digital signal analysis methods of individual waveforms acquired from photomultiplier tubes were proposed using (i) charge integration, (ii) pulse-amplitude histograms, (iii) power spectrum analysis combined with the maximum pulse-amplitude, (iv) two event parameters (a(1), b(0)) obtained from a Wiener filter, (v) an effective amplitude (m) obtained from an adaptive least-mean-square filter, and (vi) a cross-correlation coefficient between individual and reference waveforms. The NGD ratios are about 70 times those from the traditional PHA method. Our results indicate the NGD capabilities of neutron Anger cameras based on GS20 scintillators can be significantly improved with digital signal analysis methods. (C) 2016 AIP Publishing LLC.
C1 [Wang, C. L.; Riedel, R. A.] Oak Ridge Natl Lab, Instrument & Source Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
RP Wang, CL (reprint author), Oak Ridge Natl Lab, Instrument & Source Div, Neutron Sci Directorate, Oak Ridge, TN 37831 USA.
EM wangc@ornl.gov
FU Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy
FX We acknowledge discussion with K. W. Herwig, experimental help from C.
A. Montcalm and B. W. Hannan, and discussion with E. B. Iverson on fast
neutrons and high- energy background in the SNS. Critical comments from
the two referees are also acknowledged. This work was supported by the
Scientific User Facilities Division, Office of Basic Energy Sciences, US
Department of Energy.
NR 30
TC 0
Z9 0
U1 7
U2 14
PU AMER INST PHYSICS
PI MELVILLE
PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA
SN 0034-6748
EI 1089-7623
J9 REV SCI INSTRUM
JI Rev. Sci. Instrum.
PD JAN
PY 2016
VL 87
IS 1
AR 013301
DI 10.1063/1.4939821
PG 8
WC Instruments & Instrumentation; Physics, Applied
SC Instruments & Instrumentation; Physics
GA DC7WH
UT WOS:000369430900014
PM 26827314
ER
PT J
AU Maiti, A
AF Maiti, Amitesh
TI A geometry-based approach to determining time-temperature superposition
shifts in aging experiments
SO RHEOLOGICA ACTA
LA English
DT Article
DE Time-temperature superposition; Creep; Activation energy
ID COMPRESSION SET; RELAXATION; ALGORITHM; FORM
AB A powerful way to expand the time and frequency range of material properties is through a method called time-temperature superposition (TTS). Traditionally, TTS has been applied to the dynamical mechanical and flow properties of thermo-rheologically simple materials, where a well-defined master curve can be objectively and accurately obtained by appropriate shifts of curves at different temperatures. However, TTS analysis can also be useful in many other situations where there is scatter in the data and where the principle holds only approximately. In such cases, shifting curves can become a subjective exercise and can often lead to significant errors in the long-term prediction. This mandates the need for an objective method of determining TTS shifts. Here, we adopt a method based on minimizing the "arc length" of the master curve, which is designed to work in situations where there is overlapping data at successive temperatures. We examine the accuracy of the method as a function of increasing noise in the data, and explore the effectiveness of data smoothing prior to TTS shifting. We validate the method using existing experimental data on the creep strain of an aramid fiber and the powder coarsening of an energetic material.
C1 [Maiti, Amitesh] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Maiti, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
EM amaiti@llnl.gov
FU US Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]
FX This work was performed under the auspices of the US Department of
Energy by Lawrence Livermore National Laboratory under Contract
DE-AC52-07NA27344.
NR 23
TC 1
Z9 1
U1 2
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0035-4511
EI 1435-1528
J9 RHEOL ACTA
JI Rheol. Acta
PD JAN
PY 2016
VL 55
IS 1
BP 83
EP 90
DI 10.1007/s00397-015-0898-z
PG 8
WC Mechanics
SC Mechanics
GA DC6FP
UT WOS:000369315500007
ER
PT J
AU Tulli, LG
Wang, WJ
Rullaud, V
Lindemann, WR
Kuzmenko, I
Vaknin, D
Shahgaldian, P
AF Tulli, Ludovico G.
Wang, Wenjie
Rullaud, Vanessa
Lindemann, William R.
Kuzmenko, Ivan
Vaknin, David
Shahgaldian, Patrick
TI Binding of calixarene-based Langmuir monolayers to mercury chloride is
dependent on the amphiphile structure
SO RSC ADVANCES
LA English
DT Article
ID AIR/WATER INTERFACE; WATER; IONS; COMPLEXATION; FLUORESCENT; MOLECULES;
CATIONS; ANION; FILMS; LEAD
AB Two amphiphilic calix[4]arenes bearing four dodecyl chains at the lower rim and two amino functions (vicinal and distal) at the para-phenolic positions have been synthesized. Surface-pressure versus molecular-area isotherms reveal that Langmuir monolayers of the two regioisomers show considerably distinct self-assembly behaviors at the air-water interface. Compression isotherms, Brewster angle microscopy and synchrotron-based X-ray near-total-reflection fluorescence, X-ray reflectivity and grazing incidence X-ray diffraction reveal that the monolayers of the two diamino calix[4] arene derivatives and those of their structural analogues bearing four amino moieties in para positions exhibit significant differences in their binding properties towards HgCl2 despite the structural and functional similarity among the macrocycles.
C1 [Tulli, Ludovico G.; Rullaud, Vanessa; Shahgaldian, Patrick] Univ Appl Sci & Arts Northwestern Switzerland, Sch Life Sci, Inst Chem & Bioanalyt, Grundenstr 40, CH-4132 Muttenz, Switzerland.
[Wang, Wenjie; Lindemann, William R.; Vaknin, David] Iowa State Univ, Dept Phys & Astron, Ames Lab, Ames, IA 50011 USA.
[Kuzmenko, Ivan] Argonne Natl Lab, Adv Photon Source, Lemont, IL USA.
[Rullaud, Vanessa] ZHAW Zurich Univ Appl Sci, Life Sci & Facil Management, Einsiedlerstr 31, CH-8820 Wadenswil, Switzerland.
RP Shahgaldian, P (reprint author), Univ Appl Sci & Arts Northwestern Switzerland, Sch Life Sci, Inst Chem & Bioanalyt, Grundenstr 40, CH-4132 Muttenz, Switzerland.
EM patrick.shahgaldian@.nw.ch
RI Vaknin, David/B-3302-2009;
OI Vaknin, David/0000-0002-0899-9248; Lindemann,
William/0000-0002-5967-3192
FU Swiss Nanoscience Institute (SNI); Swiss National Science Foundation
(SNSF) [CalixCargo 2]; Office of Basic Energy Sciences, U.S. Department
of Energy [DEAC02-07CH11358]; U.S. Department of Energy, Basic Energy
Sciences, Office of Science [DE-AC02-06CH11357]
FX The financial support from the Swiss Nanoscience Institute (SNI, grant
NanoMorph) and the Swiss National Science Foundation (SNSF, grant
CalixCargo 2) is gratefully acknowledged. The work at the Ames
Laboratory is supported by the Office of Basic Energy Sciences, U.S.
Department of Energy under Contract No DEAC02-07CH11358. X-ray
diffraction at the Advanced Photon Source is supported by the U.S.
Department of Energy, Basic Energy Sciences, Office of Science, under
Contract No. DE-AC02-06CH11357.
NR 35
TC 1
Z9 1
U1 4
U2 13
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2016
VL 6
IS 11
BP 9278
EP 9285
DI 10.1039/c5ra25470a
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC9BQ
UT WOS:000369515900089
ER
PT J
AU Sun, C
Zhou, R
Jianan, E
Sun, JQ
Su, Y
Ren, HJ
AF Sun, Chao
Zhou, Rui
Jianan, E.
Sun, Jiaqiang
Su, Yu
Ren, Hejun
TI Ascorbic acid-coated Fe3O4 nanoparticles as a novel heterogeneous
catalyst of persulfate for improving the degradation of
2,4-dichlorophenol
SO RSC ADVANCES
LA English
DT Article
ID THERMALLY ACTIVATED PERSULFATE; IN-SITU REMEDIATION; ZERO-VALENT IRON;
AQUEOUS-SOLUTION; MAGNETIC NANOPARTICLES; ORGANIC POLLUTANTS; FERROUS
ION; HORSERADISH-PEROXIDASE; OXIDATIVE-DEGRADATION; INORGANIC RADICALS
AB Magnetic nanoscaled ascorbic acid/magnetite (H(2)A/Fe3O4) composite was prepared by oxidative polymerization and proposed as a novel heterogeneous catalyst of persulfate (PS) for improved degradation of 2,4-dichlorophenol (2,4-DCP). The composite was fully characterized and evaluated in terms of catalytic activity, effect of reaction parameters, iron ion leaching, and identification of primary reaction oxidants, as well as the possible role of H2A. The degradation efficiency of 2,4-DCP reached 98.5% within 150 min using the H(2)A/Fe3O4 nanocomposite compared with only 35.1% under the same conditions for pure nano Fe3O4. This result indicated an enhancement in the performance of activated PS. The findings of this study provide some new insights into the potential of using H(2)A to enhance the performance of Fe3O4 nanoparticles in the activation of PS for improving the degradation of organic pollutants.
C1 [Sun, Chao; Zhou, Rui; Jianan, E.; Sun, Jiaqiang; Su, Yu; Ren, Hejun] Jilin Univ, Coll Environm & Resources, Key Lab Groundwater Resources & Environm, Minist Educ, 2519 Jiefang Rd, Changchun 130021, Peoples R China.
[Zhou, Rui] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Ren, HJ (reprint author), Jilin Univ, Coll Environm & Resources, Key Lab Groundwater Resources & Environm, Minist Educ, 2519 Jiefang Rd, Changchun 130021, Peoples R China.
EM renhejun@jlu.edu.cn
FU National Natural Science Foundation of China [41302184]; Scientific
Frontier and Interdisciplinary Research Project of Jilin University;
Outstanding Youth Cultivation Plan of Jilin University; Promotion of
Innovation Ability of Beijing Municipal Universities Project by Beijing
Municipal Education Commission [TJSHG201310772028]; Graduate Innovation
Fund of Jilin University [2015112]; Key Laboratory of Groundwater
Resources and Environment of Ministry of Education (Jilin University)
FX This work is financially supported by the National Natural Science
Foundation of China (Grant No. 41302184), Scientific Frontier and
Interdisciplinary Research Project of Jilin University, Outstanding
Youth Cultivation Plan of Jilin University, Promotion of Innovation
Ability of Beijing Municipal Universities Project by Beijing Municipal
Education Commission (Grant No. TJSHG201310772028), and Graduate
Innovation Fund of Jilin University (Grant No. 2015112). Key Laboratory
of Groundwater Resources and Environment of Ministry of Education (Jilin
University) is acknowledged for providing support to the work.
NR 53
TC 2
Z9 2
U1 17
U2 51
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2016
VL 6
IS 13
BP 10633
EP 10640
DI 10.1039/c5ra22491h
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC9JO
UT WOS:000369537900051
ER
PT J
AU Lin, L
Saad, Y
Yang, C
AF Lin, Lin
Saad, Yousef
Yang, Chao
TI Approximating Spectral Densities of Large Matrices
SO SIAM REVIEW
LA English
DT Article
DE spectral density; density of states; large scale sparse matrix;
approximation of distribution; quantum mechanics
ID MAXIMUM-ENTROPY APPROACH; OF-STATES; MOMENTS; EIGENVALUES; ALGORITHM;
RECURSION; SYSTEMS; BANDS
AB In physics, it is sometimes desirable to compute the so-called density of states (DOS), also known as the spectral density, of a real symmetric matrix A. The spectral density can be viewed as a probability density distribution that measures the likelihood of finding eigenvalues near some point on the real line. The most straightforward way to obtain this density is to compute all eigenvalues of A, but this approach is generally costly and wasteful, especially for matrices of large dimension. There exist alternative methods that allow us to estimate the spectral density function at much lower cost. The major computational cost of these methods is in multiplying A with a number of vectors, which makes them appealing for large-scale problems where products of the matrix A with arbitrary vectors are relatively inexpensive. This article defines the problem of estimating the spectral density carefully and discusses how to measure the accuracy of an approximate spectral density. It then surveys a few known methods for estimating the spectral density and considers variations of existing methods. All methods are discussed from a numerical linear algebra point of view.
C1 [Lin, Lin] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.
[Lin, Lin; Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Saad, Yousef] Univ Minnesota, Dept Comp Sci & Engn, St Paul, MN 55455 USA.
RP Lin, L (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.; Lin, L; Yang, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.; Saad, Y (reprint author), Univ Minnesota, Dept Comp Sci & Engn, St Paul, MN 55455 USA.
EM linlin@math.berkeley.edu; saad@cs.umn.edu; cyang@lbl.gov
FU Laboratory Directed Research and Development Program of Lawrence
Berkeley National Laboratory under U.S. Department of Energy
[DE-AC02-05CH11231]; Scientific Discovery through the Advanced Computing
(SciDAC) program - U.S. Department of Energy, Office of Science,
Advanced Scientific Computing Research and Basic Energy Sciences
[DE-SC0008877]
FX The work of the first and third authors was partially supported by the
Laboratory Directed Research and Development Program of Lawrence
Berkeley National Laboratory under U.S. Department of Energy contract
DE-AC02-05CH11231. The work of the second and third authors was
partially supported by the Scientific Discovery through the Advanced
Computing (SciDAC) program funded by the U.S. Department of Energy,
Office of Science, Advanced Scientific Computing Research and Basic
Energy Sciences through grant DE-SC0008877.
NR 46
TC 5
Z9 5
U1 0
U2 2
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 2016
VL 58
IS 1
BP 34
EP 65
DI 10.1137/130934283
PG 32
WC Mathematics, Applied
SC Mathematics
GA DD1WC
UT WOS:000369712500003
ER
PT J
AU Lam, AT
VanDelinder, V
Kabir, AMR
Hess, H
Bachand, GD
Kakugo, A
AF Lam, A. T.
VanDelinder, V.
Kabir, A. M. R.
Hess, H.
Bachand, G. D.
Kakugo, A.
TI Cytoskeletal motor-driven active self-assembly in in vitro systems
SO SOFT MATTER
LA English
DT Review
ID POWERED MICROTUBULE FILAMENTS; COUNTERCLOCKWISE MOTION; MOLECULAR
SHUTTLES; BIOMOLECULAR MOTOR; ORGANIZATION; KINESIN; TRANSPORT;
MOTILITY; LATTICE; FLUCTUATIONS
AB Molecular motor-driven self-assembly has been an active area of soft matter research for the past decade. Because molecular motors transform chemical energy into mechanical work, systems which employ molecular motors to drive self-assembly processes are able to overcome kinetic and thermodynamic limits on assembly time, size, complexity, and structure. Here, we review the progress in elucidating and demonstrating the rules and capabilities of motor-driven active self-assembly. We focus on the types of structures created and the degree of control realized over these structures, and discuss the next steps necessary to achieve the full potential of this assembly mode which complements robotic manipulation and passive self-assembly.
C1 [Lam, A. T.; Hess, H.] Columbia Univ, Dept Biomed Engn, 351 Engn Terrace,1210 Amsterdam Ave,MC 8904, New York, NY 10027 USA.
[VanDelinder, V.; Bachand, G. D.] Sandia Natl Labs, Nanosyst Synth Anal Dept, POB 5800, Albuquerque, NM 87185 USA.
[Kabir, A. M. R.; Kakugo, A.] Hokkaido Univ, Fac Sci, Sapporo, Hokkaido 0600810, Japan.
[Kakugo, A.] Hokkaido Univ, Grad Sch Chem Sci & Engn, Sapporo, Hokkaido 0600810, Japan.
RP Hess, H (reprint author), Columbia Univ, Dept Biomed Engn, 351 Engn Terrace,1210 Amsterdam Ave,MC 8904, New York, NY 10027 USA.; Bachand, GD (reprint author), Sandia Natl Labs, Nanosyst Synth Anal Dept, POB 5800, Albuquerque, NM 87185 USA.; Kakugo, A (reprint author), Hokkaido Univ, Fac Sci, Sapporo, Hokkaido 0600810, Japan.; Kakugo, A (reprint author), Hokkaido Univ, Grad Sch Chem Sci & Engn, Sapporo, Hokkaido 0600810, Japan.
EM hhess@columbia.edu; gdbacha@sandia.gov; kakugo@sci.hokudai.ac.jp
RI Hess, Henry/A-5224-2008;
OI Hess, Henry/0000-0002-5617-606X; Bachand, George/0000-0002-3169-9980
FU US Army Research Office [W911NF-13-1-0390]; U.S. Department of Energy,
Office of Basic Energy Sciences, Division of Materials Sciences and
Engineering (BES-MSE); U.S. Department of Energy's National Nuclear
Security Administration [DE-AC04-94AL85000]; Japan Society for the
Promotion of Science; Ministry of Education, Culture, Sports, Science,
and Technology of Japan [24104004, 24104001]
FX A. L. and H. H. gratefully acknowledge financial support from the US
Army Research Office under grant W911NF-13-1-0390. V. V. and G. D. B
gratefully acknowledge financial support by the U.S. Department of
Energy, Office of Basic Energy Sciences, Division of Materials Sciences
and Engineering (BES-MSE). 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. A. M. R. K. and A. K. gratefully acknowledge
the financial support from the Japan Society for the Promotion of
Science and the Ministry of Education, Culture, Sports, Science, and
Technology of Japan under Grant-in-Aid for Scientific Research on
Innovative Areas (grant number 24104004 and 24104001).
NR 62
TC 3
Z9 3
U1 4
U2 26
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
EI 1744-6848
J9 SOFT MATTER
JI Soft Matter
PY 2016
VL 12
IS 4
BP 988
EP 997
DI 10.1039/c5sm02042e
PG 10
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DD2JF
UT WOS:000369747900001
PM 26576824
ER
PT J
AU Martin, JE
Solis, KJ
AF Martin, James E.
Solis, Kyle J.
TI Creating orbiting vorticity vectors in magnetic particle suspensions
through field symmetry transitions-a route to multi-axis mixing
SO SOFT MATTER
LA English
DT Article
AB It has recently been reported that two types of triaxial electric or magnetic fields can drive vorticity in dielectric or magnetic particle suspensions, respectively. The first type-symmetry-breaking rational fields-consists of three mutually orthogonal fields, two alternating and one dc, and the second type-rational triads-consists of three mutually orthogonal alternating fields. In each case it can be shown through experiment and theory that the fluid vorticity vector is parallel to one of the three field components. For any given set of field frequencies this axis is invariant, but the sign and magnitude of the vorticity (at constant field strength) can be controlled by the phase angles of the alternating components and, at least for some symmetry-breaking rational fields, the direction of the dc field. In short, the locus of possible vorticity vectors is a 1-d set that is symmetric about zero and is along a field direction. In this paper we show that continuous, 3-d control of the vorticity vector is possible by progressively transitioning the field symmetry by applying a dc bias along one of the principal axes. Such biased rational triads are a combination of symmetry-breaking rational fields and rational triads. A surprising aspect of these transitions is that the locus of possible vorticity vectors for any given field bias is extremely complex, encompassing all three spatial dimensions. As a result, the evolution of a vorticity vector as the dc bias is increased is complex, with large components occurring along unexpected directions. More remarkable are the elaborate vorticity vector orbits that occur when one or more of the field frequencies are detuned. These orbits provide the basis for highly effective mixing strategies wherein the vorticity axis periodically explores a range of orientations and magnitudes.
C1 [Martin, James E.; Solis, Kyle J.] Sandia Natl Labs, Nanomat Sci, POB 5800, Albuquerque, NM 87185 USA.
RP Martin, JE (reprint author), Sandia Natl Labs, Nanomat Sci, POB 5800, Albuquerque, NM 87185 USA.
EM jmartin@sandia.gov
FU U.S. Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; Jerry Simmons via the Laboratory-Directed Research
and Development (LDRD) office at Sandia National Laboratories
FX Sandia National Laboratories is a multi-program laboratory managed and
operated by Sandia Corporation, a wholly owned subsidiary of Lockheed
Martin Corporation, for the U.S. Department of Energy's National Nuclear
Security Administration under contract DE-AC04-94AL85000. This work was
supported by Jerry Simmons via the Laboratory-Directed Research and
Development (LDRD) office at Sandia National Laboratories. We thank Matt
Groo at Novamet for supplying the magnetic platelets.
NR 15
TC 1
Z9 1
U1 1
U2 1
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1744-683X
EI 1744-6848
J9 SOFT MATTER
JI Soft Matter
PY 2016
VL 12
IS 4
BP 1021
EP 1031
DI 10.1039/c5sm01975c
PG 11
WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics,
Multidisciplinary; Polymer Science
SC Chemistry; Materials Science; Physics; Polymer Science
GA DD2JF
UT WOS:000369747900005
PM 26549438
ER
PT J
AU Sanghapi, HK
Ayyalasomayajula, KK
Yueh, FY
Singh, JP
McIntyre, DL
Jain, JC
Nakano, J
AF Sanghapi, Herve K.
Ayyalasomayajula, Krishna K.
Yueh, Fang Y.
Singh, Jagdish P.
McIntyre, Dustin L.
Jain, Jinesh C.
Nakano, Jinichiro
TI Analysis of slags using laser-induced breakdown spectroscopy
SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY
LA English
DT Article
DE LIBS; ICP-OES; Slag; Internal standard; Multivariate analysis-partial
least squares regression (PLS-R)
ID QUANTITATIVE ELEMENTAL ANALYSIS; OPTICAL-EMISSION SPECTROMETRY; STEEL;
FERROMANGANESE; METHODOLOGIES; BIOMASS; PLASMAS; MATRIX; CARBON
AB The feasibility of laser-induced breakdown spectroscopy (LIES) for the analysis of gasification slags was investigated by comparing LIES results to the results of an ICP-OES analyzer. A small amount of slag sample was placed on a piece of double sided adhesive tape attached to a glass microscope slide and analyzed for Al, Ca, Fe, Si, and V which are major elements found in slags. The partial least squares regression (PLS-R) and univariate simple linear regression (SLR) calibration methods indicated that apart from V (accuracy up to +20%) the accuracy of analysis varies within 035-6.5% for SIR and 0.06-10% for PLS-R. A paired-sample t-test within the 95% confidence level yielded p-values greater than 0.05, meaning no appreciable statistical difference was observed between the univariate SIR with internal standardization and the multivariate PLS-R for most of the analytes. From the results obtained in this work, LIES response varies depending on the element and the technique used for quantitative analysis. Simultaneous use of the univariate calibration curves with internal standard (intensity ratio) and PLS regression in multi elemental analysis can help reduce the matrix effect of slags associated to their high variation in concentration. Overall, these results demonstrate the capability of LIES as an alternative technique for analyzing gasification slags. Estimated limits of detection for Al, Ca, Fe, Si and V were 0.167, 0.78, 0.171, 0.243 and 0.01 wt.%, respectively. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Sanghapi, Herve K.; Ayyalasomayajula, Krishna K.; Yueh, Fang Y.; Singh, Jagdish P.] Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS 39759 USA.
[Singh, Jagdish P.] King Saud Univ, Dept Phys, Riyadh, Saudi Arabia.
[McIntyre, Dustin L.; Jain, Jinesh C.; Nakano, Jinichiro] NETL, Pittsburgh, PA 15236 USA.
RP Singh, JP (reprint author), Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS 39759 USA.
EM singh@icet.msstate.edu
FU U.S. Department of Energy
FX This research was supported in part by an appointment to the National
Energy Technology Laboratory Research Participation Program, sponsored
by the U.S. Department of Energy and administered by the Oak Ridge
Institute for Science and Education.
NR 29
TC 1
Z9 1
U1 6
U2 15
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0584-8547
J9 SPECTROCHIM ACTA B
JI Spectroc. Acta Pt. B-Atom. Spectr.
PD JAN 1
PY 2016
VL 115
BP 40
EP 45
DI 10.1016/j.sab.2015.10.009
PG 6
WC Spectroscopy
SC Spectroscopy
GA DC4TO
UT WOS:000369213400006
ER
PT J
AU Ippolito, DL
AbdulHameed, MDM
Tawa, GJ
Baer, CE
Permenter, MG
McDyre, BC
Dennis, WE
Boyle, MH
Hobbs, CA
Streicker, MA
Snowden, BS
Lewis, JA
Wallqvist, A
Stallings, JD
AF Ippolito, Danielle L.
AbdulHameed, Mohamed Diwan M.
Tawa, Gregory J.
Baer, Christine E.
Permenter, Matthew G.
McDyre, Bonna C.
Dennis, William E.
Boyle, Molly H.
Hobbs, Cheryl A.
Streicker, Michael A.
Snowden, Bobbi S.
Lewis, John A.
Wallqvist, Anders
Stallings, Jonathan D.
TI Gene Expression Patterns Associated With Histopathology in Toxic Liver
Fibrosis
SO TOXICOLOGICAL SCIENCES
LA English
DT Article
DE toxic liver injury; transcriptomics; bioinformatics; fibrosis;
biomarkers; histopathology
ID HEPATIC STELLATE CELLS; DIBENZO-P-DIOXINS; CARBON-TETRACHLORIDE;
SUBCHRONIC/CHRONIC TOXICITY; GROWTH-FACTOR;
1,2,3,4,6,7,8-HEPTACHLORODIBENZO-P-DIOXIN HPCDD; CIRRHOTIC LIVER; LUNG
FIBROSIS; MOUSE MODEL; SHORT-TERM
AB Toxic industrial chemicals induce liver injury, which is difficult to diagnose without invasive procedures. Identifying indicators of end organ injury can complement exposure-based assays and improve predictive power. A multiplexed approach was used to experimentally evaluate a panel of 67 genes predicted to be associated with the fibrosis pathology by computationally mining DrugMatrix, a publicly available repository of gene microarray data. Five-day oral gavage studies in male Sprague Dawley rats dosed with varying concentrations of 3 fibrogenic compounds (allyl alcohol, carbon tetrachloride, and 4,4'-methylenedianiline) and 2 nonfibrogenic compounds (bromobenzene and dexamethasone) were conducted. Fibrosis was definitively diagnosed by histopathology. The 67-plex gene panel accurately diagnosed fibrosis in both microarray and multiplexed-gene expression assays. Necrosis and inflammatory infiltration were comorbid with fibrosis. ANOVA with contrasts identified that 51 of the 67 predicted genes were significantly associated with the fibrosis phenotype, with 24 of these specific to fibrosis alone. The protein product of the gene most strongly correlated with the fibrosis phenotype PCOLCE (Procollagen C-Endopeptidase Enhancer) was dose-dependently elevated in plasma from animals administered fibrogenic chemicals (P < .05). Semiquantitative global mass spectrometry analysis of the plasma identified an additional 5 protein products of the gene panel which increased after fibrogenic toxicant administration: fibronectin, ceruloplasmin, vitronectin, insulin-like growth factor binding protein, and alpha 2-macroglobulin. These results support the data mining approach for identifying gene and/or protein panels for assessing liver injury and may suggest bridging biomarkers for molecular mediators linked to histopathology.
C1 [Ippolito, Danielle L.; Dennis, William E.; Lewis, John A.; Stallings, Jonathan D.] USACEHR, Environm Hlth Program, Ft Detrick, MD 21702 USA.
[AbdulHameed, Mohamed Diwan M.; Tawa, Gregory J.; Wallqvist, Anders] US Army, Dept Def, Biotechnol High Performance Comp Software Applica, Telemed & Adv Technol Res Ctr,Med Res & Mat Comma, Ft Detrick, MD 21702 USA.
[Baer, Christine E.; Permenter, Matthew G.] Excet Inc, Frederick, MD 21702 USA.
[McDyre, Bonna C.] Oak Ridge Inst Sci & Educ, Frederick, MD 21702 USA.
[Boyle, Molly H.; Hobbs, Cheryl A.; Streicker, Michael A.] Integrated Syst Lab, Res Triangle Pk, NC 27709 USA.
[Snowden, Bobbi S.] Univ Maryland, Sch Publ Hlth, Maryland Inst Appl Environm Hlth, College Pk, MD 20742 USA.
[Tawa, Gregory J.] NIH, Translat Med Div, Bldg 10, Bethesda, MD 20892 USA.
RP Ippolito, DL (reprint author), US Army, Biomarkers Program, Ctr Environm Hlth Res, 568 Doughten Dr, Ft Detrick, MD 21702 USA.
EM Danielle.L.Ippolito2.civ@mail.mil
FU Military Operational Medicine Research Program; U.S. Army's Network
Science Initiative, U.S. Army Medical Research and Materiel Command,
Fort Detrick, Maryland; U.S. Department of Energy; U.S. Army Medical
Research and Materiel Command
FX The work was supported by the Military Operational Medicine Research
Program and the U.S. Army's Network Science Initiative, U.S. Army
Medical Research and Materiel Command, Fort Detrick, Maryland. This work
was also supported in part by an appointment at U.S. Army Center for
Environmental Health Research administered by Oak Ridge Institute for
Science and Education through an interagency agreement between U.S.
Department of Energy and U.S. Army Medical Research and Materiel Command
[B.C.M.].
NR 128
TC 3
Z9 3
U1 4
U2 5
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 1096-6080
EI 1096-0929
J9 TOXICOL SCI
JI Toxicol. Sci.
PD JAN
PY 2016
VL 149
IS 1
BP 67
EP 88
DI 10.1093/toxsci/kfv214
PG 22
WC Toxicology
SC Toxicology
GA DC5BA
UT WOS:000369233900007
PM 26396155
ER
PT J
AU Gray, LE
Furr, J
Tatum-Gibbs, KR
Lambright, C
Sampson, H
Hannas, BR
Wilson, VS
Hotchkiss, A
Foster, PMD
AF Gray, Leon Earl, Jr.
Furr, Johnathan
Tatum-Gibbs, Katoria R.
Lambright, Christy
Sampson, Hunter
Hannas, Bethany R.
Wilson, Vickie S.
Hotchkiss, Andrew
Foster, Paul M. D.
TI Establishing the "Biological Relevance" of Dipentyl Phthalate Reductions
in Fetal Rat Testosterone Production and Plasma and Testis Testosterone
Levels
SO TOXICOLOGICAL SCIENCES
LA English
DT Article
DE anti-androgen; risk assessment; fetal male rat endocrine; dipentyl
phthalate
ID MALE REPRODUCTIVE DEVELOPMENT; N-BUTYL PHTHALATE;
SEXUAL-DIFFERENTIATION; DI(N-BUTYL) PHTHALATE; IN-UTERO;
LUTEINIZING-HORMONE; RELATIVE POTENCY; LATE-GESTATION; EXPOSURE;
VINCLOZOLIN
AB Phthalate esters (PEs) constitute a large class of compounds that are used for many consumer product applications. Many of the C2-C7 di-ortho PEs reduce fetal testicular hormone and gene expression levels in rats resulting in adverse effects seen later in life but it appears that relatively large reductions in fetal testosterone (T) levels and testis gene expression may be required to adversely affect reproductive development (Hannas, B. R., Lambright, C. S., Furr, J., Evans, N., Foster, P. M., Gray, E. L., and Wilson, V. S. (2012). Genomic biomarkers of phthalate-induced male reproductive developmental toxicity: a targeted RT-PCR array approach for defining relative potency. Toxicol. Sci. 125, 544-557). The objectives of this study were (1) to model the relationships between changes in fetal male rat plasma testosterone (PT), T levels in the testis (TT), T production (PROD), and testis gene expression with the reproductive malformation rates, and (2) to quantify the "biologically relevant reductions" (BRRs) in fetal T necessary to induce adverse effects in the offspring. In the fetal experiment, Harlan Sprague-Dawley rats were dosed with dipentyl phthalate (DPeP) at 0, 11, 33, 100, and 300 mg/kg/day from gestational days (GD) 14-18 and fetal testicular T, PT levels, and T Prod and gene expression were assessed on GD 18. In the postnatal experiment, rats were dosed with DPeP from GD 8-18 and reproductive development was monitored through adulthood. The dose-response curves for TT levels (ED50 = 53 mg/kg) and T PROD (ED50 = 45 mg/kg) were similar, whereas PT was reduced at ED50 = 19 mg/kg. When the reductions in TPROD and Insl3 mRNA were compared with the postnatal effects of in utero DPeP, dose-related reproductive alterations were noted when T PROD and Insl3 mRNA were reduced by > 45% and 42%, respectively. The determination of BRR levels may enable risk assessors to utilize fetal endocrine data to help establish points of departure for quantitative risk assessments.
C1 [Gray, Leon Earl, Jr.; Furr, Johnathan; Tatum-Gibbs, Katoria R.; Lambright, Christy; Hannas, Bethany R.; Wilson, Vickie S.] US EPA, Reprod Toxicol Branch,Toxicol Assessment Div, Natl Hlth & Environm Effects Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA.
[Hotchkiss, Andrew] US EPA, NCEA, ORD, Washington, DC USA.
[Foster, Paul M. D.] NIEHS, Natl Toxicol Program, NIH, DHHS, Res Triangle Pk, NC 27709 USA.
[Sampson, Hunter] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA.
[Hannas, Bethany R.] Dow Chem Co USA, Toxicol & Environm Res & Consulting, Midland, MI 48674 USA.
RP Gray, LE (reprint author), US EPA, Reprod Toxicol Branch,Toxicol Assessment Div, Natl Hlth & Environm Effects Lab, Off Res & Dev, Res Triangle Pk, NC 27711 USA.
EM gray.earl@epa.gov
OI Wilson, Vickie/0000-0003-1661-8481; gray jr, leon
earl/0000-0002-1111-4754
FU NIH [NTP/NIEHS IA RW7592285501-1]
FX Supported in part by NIH NTP/NIEHS IA RW7592285501-1.
NR 31
TC 2
Z9 2
U1 5
U2 12
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 1096-6080
EI 1096-0929
J9 TOXICOL SCI
JI Toxicol. Sci.
PD JAN
PY 2016
VL 149
IS 1
BP 178
EP 191
DI 10.1093/toxsci/kfv224
PG 14
WC Toxicology
SC Toxicology
GA DC5BA
UT WOS:000369233900016
PM 26454885
ER
PT S
AU Bertin, A
Nogales, E
AF Bertin, Aurelie
Nogales, Eva
BE SanchezDiaz, A
Perez, P
TI Characterization of Septin Ultrastructure in Budding Yeast Using
Electron Tomography
SO YEAST CYTOKINESIS: METHODS AND PROTOCOLS
SE Methods in Molecular Biology
LA English
DT Article; Book Chapter
DE Septin; Budding yeast; Cytokinesis; Cryo-tomography; Image processing;
Cryo-sectioning
ID SACCHAROMYCES-CEREVISIAE; CELL CORTEX; ORGANIZATION; RING;
COMPARTMENTALIZATION; MICROSCOPY; DIFFUSION; CYCLE
AB Septins are essential for the completion of cytokinesis. In budding yeast, Saccharomyces cerevisiae, septins are located at the bud neck during mitosis and are closely connected to the inner plasma membrane. In vitro, yeast septins have been shown to self-assemble into a variety of filamentous structures, including rods, paired filaments, bundles, and rings (Bertin et al. Proc Natl Acad Sci U S A, 105(24): 8274-8279, 2008; Garcia et al. J Cell Biol, 195(6): 993-1004, 2011; Bertin et al. J Mol Biol, 404(4): 711-731, 2010). Using electron tomography of freeze-substituted sections and cryo-electron tomography of frozen sections, we determined the three-dimensional organization of the septin cytoskeleton in dividing budding yeast with molecular resolution (Bertin et al. Mol Biol Cell, 23(3): 423-432, 2012; Bertin and Nogales. Commun Integr Biol 5(5): 503-505, 2012). Here, we describe the detailed procedures used for our characterization of the septin cellular ultrastructure.
C1 [Bertin, Aurelie; Nogales, Eva] Univ Calif Berkeley, Dept Mol & Cell Biol, Biochem Biophys & Struct Biol Div, 229 Stanley Hall, Berkeley, CA 94720 USA.
[Bertin, Aurelie] Inst Curie, CNRS, UMR 168, F-75231 Paris, France.
[Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA.
[Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Bertin, A (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Biochem Biophys & Struct Biol Div, 229 Stanley Hall, Berkeley, CA 94720 USA.; Bertin, A (reprint author), Inst Curie, CNRS, UMR 168, F-75231 Paris, France.
FU Howard Hughes Medical Institute; NIGMS NIH HHS [R01 GM101314]
NR 19
TC 0
Z9 0
U1 0
U2 5
PU HUMANA PRESS INC
PI TOTOWA
PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA
SN 1064-3745
BN 978-1-4939-3145-3; 978-1-4939-3144-6
J9 METHODS MOL BIOL
JI Methods Mol. Biol.
PY 2016
VL 1369
BP 113
EP 123
DI 10.1007/978-1-4939-3145-3_9
D2 10.1007/978-1-4939-3145-3
PG 11
WC Biochemical Research Methods; Biochemistry & Molecular Biology; Cell
Biology; Mycology
SC Biochemistry & Molecular Biology; Cell Biology; Mycology
GA BE2EG
UT WOS:000369086500010
PM 26519309
ER
PT J
AU Kevan, S
AF Kevan, Steve
TI Understanding Heterogeneous Chemical Processes Using X-ray Techniques
SO ACCOUNTS OF CHEMICAL RESEARCH
LA English
DT Editorial Material
C1 [Kevan, Steve] Univ Oregon, Lawrence Berkeley Natl Lab, Eugene, OR 97403 USA.
RP Kevan, S (reprint author), Univ Oregon, Lawrence Berkeley Natl Lab, Eugene, OR 97403 USA.
OI Kevan, Stephen/0000-0002-4621-9142
NR 0
TC 0
Z9 0
U1 0
U2 3
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0001-4842
EI 1520-4898
J9 ACCOUNTS CHEM RES
JI Accounts Chem. Res.
PD JAN
PY 2016
VL 49
IS 1
BP 3
EP 3
DI 10.1021/acs.accounts.5b00542
PG 1
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB5OS
UT WOS:000368564100002
PM 26781060
ER
PT J
AU Gessner, O
Guhr, M
AF Gessner, Oliver
Guehr, Markus
TI Monitoring Ultrafast Chemical Dynamics by Time-Domain X-ray Photo- and
Auger-Electron Spectroscopy
SO ACCOUNTS OF CHEMICAL RESEARCH
LA English
DT Review
ID EXCITED-STATE DYNAMICS; RESOLVED PHOTOELECTRON-SPECTROSCOPY;
ABSORPTION-SPECTROSCOPY; TIO2 FILMS; CONICAL INTERSECTIONS;
SYNCHROTRON-RADIATION; MOLECULAR-DYNAMICS; INJECTION DYNAMICS; CHARGE
DYNAMICS; SINGLET-STATES
AB The directed flow of charge and energy is at the heart of all chemical processes. Extraordinary efforts are underway to monitor and understand the concerted motion of electrons and nuclei with ever increasing spatial and temporal sensitivity. The element specificity, chemical sensitivity, and temporal resolution of ultrafast X-ray spectroscopy techniques hold great promise to provide new insight into the fundamental interactions underlying chemical dynamics in systems ranging from isolated molecules to application-like devices. Here, we focus on the potential of ultrafast X-ray spectroscopy techniques based on the detection of photo- and Auger electrons to provide new fundamental insight into photochemical processes of systems with various degrees of complexity.
Isolated nucleobases provide an excellent testing ground for our most fundamental understanding of intramolecular coupling between electrons and nuclei beyond the traditionally applied Born-Oppenheimer approximation. Ultrafast electronic relaxation dynamics enabled by the breakdown of this approximation is the major component of the nucleobase photoprotection mechanisms. Transient X-ray induced Auger electron spectroscopy on photoexcited thymine molecules provides atomic-site specific details of the extremely efficient coupling that converts potentially bond changing ultraviolet photon energy into benign heat. In particular, the time-dependent spectral shift of a specific Auger band is sensitive to the length of a single bond within the molecule. The X-ray induced Auger transients show evidence for an electronic transition out of the initially excited state within only similar to 200 fs in contrast to theoretically predicted picosecond population trapping behind a reaction barrier.
Photoinduced charge transfer dynamics between transition metal complexes and semiconductor nanostructures are of central importance for many emerging energy and climate relevant technologies. Numerous demonstrations of photovoltaic and photocatalytic activity have been performed based on the combination of strong light absorption in dye molecules with charge separation and transport in adjacent semiconductor nanostructures. However, a fundamental understanding of the enabling and limiting dynamics on critical atomic length- and time scales is often still lacking. Femtosecond time-resolved X-ray photoelectron spectroscopy is employed to gain a better understanding of a short-lived intermediate that may be linked to the unexpectedly limited performance of ZnO based dye-sensitized solar cells by delaying the generation of free charge carriers. The transient spectra strongly suggest that photoexcited dye molecules attached to ZnO nanocrystals inject their charges into the substrate within less than 1 ps but the electrons are then temporarily trapped at the surface of the semiconductor in direct vicinity of the injecting molecules. The experiments are extended to monitor the electronic response of the semiconductor substrate to the collective injection from a monolayer of dye molecules and the subsequent electron-ion recombination dynamics. The results indicate some qualitative similarities but quantitative differences between the recombination dynamics at molecule-semiconductor interfaces and previously studied bulk-surface electron-hole recombination dynamics in photoexcited semiconductors.
C1 [Gessner, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Guehr, Markus] PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Guehr, Markus] Univ Potsdam, Inst Phys & Astron, D-14476 Potsdam, Germany.
RP Gessner, O (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
FU Department of Energy Office of Science Early Career Research Program;
Office of Science, Office of Basic Energy Sciences of the U.S.
Department of Energy [DE-AC02-05CH11231]
FX O.G. and M.G. were supported by the Department of Energy Office of
Science Early Career Research Program. Portions of this research were
carried out at the Linac Coherent Light Source (LCLS) at SLAC National
Accelerator Laboratory. LCLS is an Office of Science User Facility
operated for the U.S. Department of Energy Office of Science by Stanford
University. Experiments were also performed at beamline 11.0.2 of the
Advanced Light Source (ALS). ALS is supported by the Director, Office of
Science, Office of Basic Energy Sciences, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231.
NR 57
TC 6
Z9 6
U1 20
U2 69
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 0001-4842
EI 1520-4898
J9 ACCOUNTS CHEM RES
JI Accounts Chem. Res.
PD JAN
PY 2016
VL 49
IS 1
BP 138
EP 145
DI 10.1021/acs.accounts.5b00361
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB5OS
UT WOS:000368564100016
PM 26641490
ER
PT J
AU Biteen, JS
Blainey, PC
Cardon, ZG
Chun, MY
Church, GM
Dorrestein, PC
Fraser, SE
Gilbert, JA
Jansson, JK
Knight, R
Miller, JF
Ozcan, A
Prather, KA
Quake, SR
Ruby, EG
Silver, PA
Taha, S
van den Engh, G
Weiss, PS
Wong, GCL
Wright, AT
Young, TD
AF Biteen, Julie S.
Blainey, Paul C.
Cardon, Zoe G.
Chun, Miyoung
Church, George M.
Dorrestein, Pieter C.
Fraser, Scott E.
Gilbert, Jack A.
Jansson, Janet K.
Knight, Rob
Miller, Jeff F.
Ozcan, Aydogan
Prather, Kimberly A.
Quake, Stephen R.
Ruby, Edward G.
Silver, Pamela A.
Taha, Sharif
van den Engh, Ger
Weiss, Paul S.
Wong, Gerard C. L.
Wright, Aaron T.
Young, Thomas D.
TI Tools for the Microbiome: Nano and Beyond
SO ACS NANO
LA English
DT Article
ID SELF-ASSEMBLED MONOLAYERS; SEA SPRAY AEROSOL; PSEUDOMONAS-AERUGINOSA
BIOFILMS; AIRBORNE BACTERIAL COMMUNITIES; SCANNING-TUNNELING-MICROSCOPY;
IMAGING MASS-SPECTROMETRY; ATMOSPHERIC ICE NUCLEI; SQUID-VIBRIO
SYMBIOSIS; SINGLE-CELL GENOMICS; HUMAN GUT MICROBIOME
AB The microbiome presents great opportunities for understanding and improving the world around us and elucidating the interactions that compose it. The microbiome also poses tremendous challenges for mapping and manipulating the entangled networks of interactions among myriad diverse organisms. Here, we describe the opportunities, technical needs, and potential approaches to address these challenges, based on recent and upcoming advances in measurement and control at the nanoscale and beyond. These technical needs will provide the basis for advancing the largely descriptive studies of the microbiome to the theoretical and mechanistic understandings that will underpin the discipline of microbiome engineering. We anticipate that the new tools and methods developed will also be more broadly useful in environmental monitoring, medicine, forensics, and other areas.
C1 [Biteen, Julie S.] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA.
[Blainey, Paul C.] MIT, Dept Biol Engn, Cambridge, MA 02138 USA.
[Blainey, Paul C.] Broad Inst MIT & Harvard, Cambridge, MA 02138 USA.
[Cardon, Zoe G.] Marine Biol Lab, Ctr Ecosyst, Woods Hole, MA 02543 USA.
[Chun, Miyoung; Taha, Sharif] Kavli Fdn, Oxnard, CA 93030 USA.
[Church, George M.] Harvard Univ, Sch Med, Dept Genet, Boston, MA 02115 USA.
[Silver, Pamela A.] Harvard Univ, Sch Med, Dept Syst Biol, Boston, MA 02115 USA.
[Church, George M.; Silver, Pamela A.] Harvard Univ, Wyss Inst Biol Inspired Engn, Boston, MA 02115 USA.
[Church, George M.; Silver, Pamela A.] Harvard Univ, Biophys Program, Boston, MA 02115 USA.
[Dorrestein, Pieter C.] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci Biochem Pharmac, La Jolla, CA 92093 USA.
[Knight, Rob] Univ Calif San Diego, Dept Pediat, La Jolla, CA 92093 USA.
[Knight, Rob] Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA.
[Prather, Kimberly A.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA.
[Prather, Kimberly A.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA.
[Fraser, Scott E.] Univ So Calif, Translat Imaging Ctr, Mol & Computat Biol, Los Angeles, CA 90089 USA.
[Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA.
[Gilbert, Jack A.] Univ Chicago, Dept Surg, Chicago, IL 60637 USA.
[Jansson, Janet K.; Wright, Aaron T.] Pacific NW Natl Lab, Earth & Biol Sci Div, Richland, WA 99352 USA.
[Miller, Jeff F.; Ozcan, Aydogan; Weiss, Paul S.; Wong, Gerard C. L.; Young, Thomas D.] Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA.
[Miller, Jeff F.] Univ Calif Los Angeles, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA 90095 USA.
[Ozcan, Aydogan] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA.
[Ozcan, Aydogan; Wong, Gerard C. L.] Univ Calif Los Angeles, Dept Bioengn, Los Angeles, CA 90095 USA.
[Weiss, Paul S.; Wong, Gerard C. L.; Young, Thomas D.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.
[Weiss, Paul S.] Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA.
[Quake, Stephen R.] Stanford Univ, Dept Appl Phys & Bioengn, Stanford, CA 94305 USA.
[Quake, Stephen R.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA.
[Ruby, Edward G.] Univ Hawaii Manoa, Kewalo Marine Lab, Honolulu, HI 96813 USA.
[van den Engh, Ger] Ctr Marine Cytometry, Concrete, Washington, DC USA.
[van den Engh, Ger] Univ Concepcion, Inst Milenio Oceanog, Concepcion, Chile.
RP Knight, R (reprint author), Univ Calif San Diego, Dept Pediat, La Jolla, CA 92093 USA.; Knight, R (reprint author), Univ Calif San Diego, Dept Comp Sci & Engn, La Jolla, CA 92093 USA.; Miller, JF; Weiss, PS (reprint author), Univ Calif Los Angeles, Calif NanoSyst Inst, Los Angeles, CA 90095 USA.; Miller, JF (reprint author), Univ Calif Los Angeles, Dept Microbiol Immunol & Mol Genet, Los Angeles, CA 90095 USA.; Weiss, PS (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA.; Weiss, PS (reprint author), Univ Calif Los Angeles, Dept Mat Sci & Engn, Los Angeles, CA 90095 USA.
EM robknight@ucsd.edu; jfmiller@ucla.edu; psw@cnsi.ucla.edu
RI Weiss, Paul/A-2575-2011; Cardon, Zoe/I-2119-2016; Prather,
Kimberly/A-3892-2008; Ozcan, Aydogan/I-2608-2013;
OI Weiss, Paul/0000-0001-5527-6248; Cardon, Zoe/0000-0001-8725-7842;
Prather, Kimberly/0000-0003-3048-9890; Ozcan,
Aydogan/0000-0002-0717-683X; Blainey, Paul/0000-0002-4889-8783
FU Kavli Foundation; Office of Naval Research [N000141410051]; Genomic
Science Program of the U.S. DOE-OBER; DOE [DE-AC06-76RL01830]
FX We gratefully acknowledge the Kavli Foundation for support and
encouragement of this initiative and the discussions that led up to it.
This research was supported by the Office of Naval Research Grant
#N000141410051 (P.S.W., G.C.L.W., and T.Y.), the Genomic Science Program
of the U.S. DOE-OBER, and is a contribution of the PNNL Foundational
Scientific Focus Area (J.K.J. and A.W.) and the Panomics project (A.W.)
at the Pacific Northwest National Laboratory, a multiprogram national
laboratory operated by Battelle for the DOE under Contract
DE-AC06-76RL01830. The authors acknowledge helpful discussions with
Profs. Paul Alivisatos, Anne Andrews, Xiangfeng Duan, Lee Hood, Yu
Huang, Andrea Kasko, Ken Nealson, and Sunney Xie, as well as with many
of our other colleagues. We thank Ms. Andrea Selby for the table of
contents artwork, Dr. Jessica Polka for help with graphics, and Ms.
Holly Bunje for help in preparing the manuscript.
NR 338
TC 25
Z9 25
U1 39
U2 104
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 6
EP 37
DI 10.1021/acsnano.5b07826
PG 32
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800002
PM 26695070
ER
PT J
AU Yuk, JM
Zhou, Q
Chang, JY
Ercius, P
Alivisatos, AP
Zettl, A
AF Yuk, Jong Min
Zhou, Qin
Chang, Jiyoung
Ercius, Peter
Alivisatos, A. Paul
Zettl, Alex
TI Real-Time Observation of Water-Soluble Mineral Precipitation in Aqueous
Solution by In Situ High-Resolution Electron Microscopy
SO ACS NANO
LA English
DT Article
DE in situ graphene liquid cell electron microscopy; water-soluble mineral;
nucleation and growth; grain boundary migration; grain rotation
ID PLATINUM NANOCRYSTAL GROWTH; GRAPHENE LIQUID CELLS; CALCITE GROWTH;
CARBONATE NUCLEATION; KINETICS; RECRYSTALLIZATION; SANDWICHES;
PERSULFATE; EVOLUTION; SULFATE
AB The precipitation and dissolution of water-soluble minerals in aqueous systems is a familiar process occurring commonly in nature. Understanding mineral nucleation and growth during its precipitation is highly desirable, but past in situ techniques have suffered from limited spatial and temporal resolution. Here, by using in situ graphene liquid cell electron microscopy, mineral nucleation and growth processes are demonstrated in high spatial and temporal resolution. We precipitate the mineral thenardite (Na2SO4) from aqueous solution with electron-beam-induced radiolysis of water. We demonstrate that minerals nucleate with a two-dimensional island structure on the graphene surfaces. We further reveal that mineral grains grow by grain boundary migration and grain rotation. Our findings provide a direct observation of the dynamics of crystal growth from ionic solutions.
C1 [Yuk, Jong Min; Zhou, Qin; Chang, Jiyoung; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Alivisatos, A. Paul] Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA.
[Yuk, Jong Min; Zhou, Qin; Chang, Jiyoung; Alivisatos, A. Paul; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.
[Ercius, Peter] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Mol Foundry, Berkeley, CA 94720 USA.
[Yuk, Jong Min; Zhou, Qin; Chang, Jiyoung; Alivisatos, A. Paul; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Zettl, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.; Zettl, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
EM azettl@berkeley.edu
RI Alivisatos , Paul /N-8863-2015; Yuk, Jong Min/I-8770-2016; Zettl,
Alex/O-4925-2016
OI Alivisatos , Paul /0000-0001-6895-9048; Yuk, Jong
Min/0000-0002-4677-7363; Zettl, Alex/0000-0001-6330-136X
FU Office of Energy Research, Basic Energy Sciences, Materials Sciences and
Engineering Division, of the U.S. Department of Energy
[DE-AC02-05CH11231]; Office of Naval Research [N00014-12-1]; NSF
[DMR-1206512]; DTRA [HDTRA1-13-1-0035]
FX We thank C. Song at the Molecular Foundry for experimental assistance
with TEM, and S. Nguyen at U.C. Berkeley for helpful discussions.
J.M.Y., Q.Z., J.C., and A.Z. acknowledge support from the Director,
Office of Energy Research, Basic Energy Sciences, Materials Sciences and
Engineering Division, of the U.S. Department of Energy under Contract
DE-AC02-05CH11231 within the SP2-Bonded Materials Program and The
Molecular Foundry, which provided for construction of the GLC and TEM
characterization, respectively; the Office of Naval Research under Grant
N00014-12-1, which provided for graphene growth; the NSF under Grant
DMR-1206512, which provided for development of graphene transfer
methods; and DTRA Grant HDTRA1-13-1-0035, which provided postdoctoral
support.
NR 31
TC 5
Z9 5
U1 13
U2 48
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 88
EP 92
DI 10.1021/acsnano.5b04064
PG 5
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800007
PM 26649494
ER
PT J
AU Lim, J
Wang, HT
Tang, JY
Andrews, SC
So, HY
Lee, J
Lee, DH
Russell, TP
Yang, PD
AF Lim, Jongwoo
Wang, Hung-Ta
Tang, Jinyao
Andrews, Sean C.
So, Hongyun
Lee, Jaeho
Lee, Dong Hyun
Russell, Thomas P.
Yang, Peidong
TI Simultaneous Thermoelectric Property Measurement and Incoherent Phonon
Transport in Holey Silicon
SO ACS NANO
LA English
DT Article
DE thermoelectrics; silicon nanostructure; holey silicon; phonon transport;
thermal conductivity
ID THERMAL-CONDUCTIVITY; NANOWIRES; HEAT; NANOSTRUCTURES; SCATTERING;
FILMS; CRYSTALS; SYSTEMS; DEVICE
AB Block copolymer patterned holey silicon (HS) was successfully integrated into a micro device for simultaneous measurements of Seebeck coefficient, electrical conductivity, and thermal conductivity of the same HS microribbon. These fully integrated HS microdevices provided excellent platforms for the systematic investigation of thermoelectric transport properties tailored by the dimensions of the periodic hole array, that is, neck and pitch size, and the doping concentrations. Specifically, thermoelectric transport properties of HS with a neck size in the range of 16-34 nm and a fixed pitch size of 60 nm were characterized, and a clear neck size dependency was shown in the doping range of 3.1 x 10(18) to 6.5 x 10(19) cm(-3). At 300 K, thermal conductivity as low as 1.8 +/- 0.2 W/mK was found in HS with a neck size of 16 nm, while optimized zT values were shown in HS with a neck size of 24 nm. The controllable effects of holey array dimensions and doping concentrations on HS thermoelectric performance could aid in improving the understanding of the phonon scattering process in a holey structure and also in facilitating the development of silicon-based thermoelectric devices.
C1 [Lim, Jongwoo; Wang, Hung-Ta; Tang, Jinyao; Andrews, Sean C.; Lee, Jaeho; Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[So, Hongyun] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.
[Yang, Peidong] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Yang, Peidong] Univ Calif Berkeley, Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA.
[Lim, Jongwoo; Andrews, Sean C.; Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Wang, Hung-Ta] Univ Alabama, Dept Chem & Biol Engn, Tuscaloosa, AL 35487 USA.
[Wang, Hung-Ta] Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA.
[Tang, Jinyao] Univ Hong Kong, Dept Chem, Pokfulam, Hong Kong, Peoples R China.
[Lee, Jaeho] Univ Calif Irvine, Dept Mech & Aerosp Engn, Irvine, CA 92697 USA.
[Lee, Dong Hyun] Dankook Univ, Dept Polymer Sci & Engn, 152 Jukjeon Ro, Yongin 16890, Gyeonggi Do, South Korea.
[Lee, Dong Hyun; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Kavli Energy Nanosci Inst, Berkeley, CA 94720 USA.; Yang, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM p_yang@berkeley.edu
FU Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX Authors thank Dr. Kedar Hippalgaonkar and Dr. Renkun Chen for the
insightful discussion, and Dr. Erik Garnett for the assist of low-stress
SiNx growth with Stanford Nanofabrication Facility. We also
thank the UC-Berkeley Marvel Nanofabrication Laboratory where most of
the microdevice fabrication was performed. This work was supported by
the Director, Office of Science, Office of Basic Energy Sciences,
Materials Sciences and Engineering Division, of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231 (Thermal).
NR 52
TC 5
Z9 5
U1 10
U2 38
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 124
EP 132
DI 10.1021/acsnano.5b05385
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800011
PM 26650117
ER
PT J
AU Welch, DA
Woehl, TJ
Park, C
Faller, R
Evans, JE
Browning, ND
AF Welch, David A.
Woehl, Taylor J.
Park, Chiwoo
Faller, Roland
Evans, James E.
Browning, Nigel D.
TI Understanding the Role of Solvation Forces on the Preferential
Attachment of Nanoparticles in Liquid
SO ACS NANO
LA English
DT Article
DE molecular dynamics; in situ microscopy; nanoparticles; attachment
ID TRANSMISSION ELECTRON-MICROSCOPY; MOLECULAR-DYNAMICS SIMULATION;
ORIENTED-ATTACHMENT; METAL NANOPARTICLES; GROWTH; NANOCRYSTALS;
NANOSTRUCTURES; MECHANISMS; NUCLEATION; CATALYSIS
AB Optimization of colloidal nanoparticle synthesis techniques requires an understanding of underlying particle growth mechanisms. Nonclassical growth mechanisms are particularly important as they affect nanoparticle, size and shape distributions, which in turn influence functional properties. For example, preferential attachment of nanoparticles is known to lead to the formation of mesocrystals, although the formation mechanism is currently not well-understood: Here we employ in situ liquid cell scanning transmission electron microscopy and steered molecular dynamics (SMD) simulations to demonstrate that the experimentally observed preference for end-to-end attachment, of silver nanorods is a result of weaker solvation forces occurring at rod ends. SMD reveals that when the side of a nanorod approaches another rod, perturbation in the surface-bound water, at the nanorod surface creates significant energy barriers to attachment. Additionally, rod morphology (i.e., facet shape) effects can explain the majority of the side attachment effects that are observed experimentally.
C1 [Welch, David A.; Woehl, Taylor J.; Faller, Roland] Univ Calif Davis, Dept Chem Engn & Mat Sci, One Shields Ave, Davis, CA 95616 USA.
[Park, Chiwoo] Florida State Univ, Dept Ind & Mfg Engn, Tallahassee, FL 32310 USA.
[Evans, James E.] Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd, Richland, WA 99354 USA.
[Browning, Nigel D.] Pacific NW Natl Lab, Fundamental Computat Sci Directorate, 902 Battelle Blvd, Richland, WA 99354 USA.
[Woehl, Taylor J.] NIST, Mat Measurement Lab, Boulder, CO 80305 USA.
RP Welch, DA (reprint author), Univ Calif Davis, Dept Chem Engn & Mat Sci, One Shields Ave, Davis, CA 95616 USA.
EM dawelch@ucdavis.edu
FU United States Department of Energy (DOE) through the University of
California at Davis [DE-FG02-03ER46057]; Laboratory Directed Research
and Development (LDRD) Program: Chemical Imaging Initiative at Pacific
Northwest National Laboratory (PNNL); Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility - DOE's Office of
Biological and Environmental Research; DOE [DE-AC05-76RL01830]; National
Science Foundation [NSF-1334012]
FX We thank C. Mundy for helpful comments on the draft manuscript. This
work was supported in part by the United States Department of Energy
(DOE) Grant No. DE-FG02-03ER46057 through the University of California
at Davis, the Laboratory Directed Research and Development (LDRD)
Program: Chemical Imaging Initiative at Pacific Northwest National
Laboratory (PNNL), and the Environmental Molecular Sciences Laboratory
(EMSL), a national scientific user facility sponsored by the DOE's
Office of Biological and Environmental Research and located at PNNL.
PNNL is a multiprogram national laboratory operated by Battelle for the
DOE under Contract DE-AC05-76RL01830. The development of the single
particle tracking algorithm was supported by the National Science
Foundation under NSF-1334012.
NR 46
TC 8
Z9 8
U1 14
U2 47
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 181
EP 187
DI 10.1021/acsnano.5b06632
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800017
PM 26588243
ER
PT J
AU Duan, JC
Kodali, VK
Gaffrey, MJ
Guo, J
Chu, RK
Camp, DG
Smith, RD
Thrall, BD
Qian, WJ
AF Duan, Jicheng
Kodali, Vamsi K.
Gaffrey, Matthew J.
Guo, Jia
Chu, Rosalie K.
Camp, David G.
Smith, Richard D.
Thrall, Brian D.
Qian, Wei-Jun
TI Quantitative Profiling of Protein S-Glutathionylation Reveals
Redox-Dependent Regulation of Macrophage Function during
Nanoparticle-Induced Oxidative Stress
SO ACS NANO
LA English
DT Article
DE S-glutathionylation; nanotoxicology; macrophage; oxidative stress; redox
proteomics; resin-assisted enrichment; immune functions
ID ENDOPLASMIC-RETICULUM STRESS; IN-VITRO DOSIMETRY; RECEPTOR-MEDIATED
PHAGOCYTOSIS; SILICA NANOPARTICLES; REACTIVE OXYGEN; SCAVENGER RECEPTOR;
CELL-DEATH; ENGINEERED NANOMATERIALS; MOLECULAR-MECHANISMS;
DISULFIDE-ISOMERASE
AB Engineered nanoparticles (ENPs) are increasingly utilized for commercial and medical applications; thus, understanding their potential adverse effects is an important societal issue. Herein, we investigated protein S-glutathionylation (SSG) as an underlying regulatory mechanism by which ENPs may alter macrophage innate immune functions, using a quantitative redox proteomics approach for site-specific measurement of SSG modifications. Three high-volume production ENPs (SiO2, Fe3O4, and CoO) were selected as representatives which induce low, moderate, and high propensity, respectively, to stimulate cellular reactive oxygen species (ROS) and disrupt macrophage function. The SSG modifications identified highlighted a broad set of redox sensitive proteins and specific Cys residues which correlated well with the overall level of cellular redox stress and impairment of macrophage phagocytic function (CoO > Fe3O4 >> SiO2). Moreover, our data revealed pathway-specific differences in susceptibility to SSG between ENPs which induce moderate versus high levels of ROS. Pathways regulating protein translation and protein stability indicative of ER stress responses and proteins involved in phagocytosis were among the most sensitive to SSG in response to ENPs that induce subcytoxic levels of redox stress. At higher levels of redox stress, the pattern of SSG modifications displayed reduced specificity and a broader set pathways involving classical stress responses and mitochondrial energetics (e.g., glycolysis) associated with apoptotic mechanisms. An important role for SSG in regulation of macrophage innate immune function was also confirmed by RNA silencing of glutaredoxin, a major enzyme which reverses SSG modifications. Our results provide unique insights into the protein signatures and pathways that serve as ROS sensors and may facilitate cellular adaption to ENPs, versus intracellular targets of ENP-induced oxidative stress that are linked to irreversible cell outcomes.
C1 [Duan, Jicheng; Kodali, Vamsi K.; Gaffrey, Matthew J.; Guo, Jia; Camp, David G.; Smith, Richard D.; Thrall, Brian D.; Qian, Wei-Jun] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
[Chu, Rosalie K.; Smith, Richard D.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Guo, Jia] BioMarin Pharmaceut Inc, BioAnalyt Sci, Novato, CA 94949 USA.
RP Thrall, BD; Qian, WJ (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
EM brian.thrall@pnnl.gov; weijun.qian@pnnl.gov
RI Smith, Richard/J-3664-2012;
OI Smith, Richard/0000-0002-2381-2349; Kodali, Vamsi/0000-0001-6177-0568
FU NIH [DP2OD006668, UC4 DK104167, U19 ES019544, P41 GM103493,
U24-CA-160019]; DOE; DOE/BER; DOE [DE-AC05-76RL0 1830]
FX This research was supported by in part by NIH grants DP2OD006668
(W.-J.Q.), UC4 DK104167 (W.J.Q,), U19 ES019544 (B.D.T.), P41 GM103493
(R.D.S.), U24-CA-160019 (R.D.S), and a DOE Early Career Research Award
(W.-J.Q). This work was performed in the Environmental Molecular
Sciences Laboratory, a national scientific user facility sponsored by
DOE/BER and located at Pacific Northwest National Laboratory, which is
operated by Battelle Memorial Institute for the DOE under Contract
DE-AC05-76RL0 1830. The authors would like to thank Prof. Tzong-Yi Lee
at Yuan Ze University, Academia Sinica, Taiwan, China for providing the
database of dbGSH 1.0.
NR 94
TC 3
Z9 3
U1 15
U2 33
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 524
EP 538
DI 10.1021/acsnano.5b05524
PG 15
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800056
PM 26700264
ER
PT J
AU Yuan, YF
Wood, SM
He, K
Yao, WT
Tompseett, D
Lu, J
Nie, AM
Islam, MS
Shahbazian-Yassar, R
AF Yuan, Yifei
Wood, Stephen M.
He, Kun
Yao, Wentao
Tompseett, David
Lu, Jun
Nie, Anmin
Islam, M. Saiful
Shahbazian-Yassar, Reza
TI Atomistic Insights into the Oriented Attachment of Tunnel-Based Oxide
Nanostructures
SO ACS NANO
LA English
DT Article
DE nanowire; oriented attachment; tunnel; interface; surface structure
ID MOLECULAR-SIEVE NANOMATERIALS; HYDROTHERMAL SYNTHESIS;
ELECTRON-MICROSCOPY; MNO2 NANOWIRES; ELECTROCHEMICAL PROPERTIES;
ALPHA-MNO2 NANOWIRES; CRYSTAL-STRUCTURE; ION INSERTION; MANGANESE;
GROWTH
AB Controlled synthesis of nanomaterials is one of the grand challenges facing materials scientists. In particular, how tunnel-based nanomaterials aggregate during synthesis while, maintaining their well-aligned tunneled structure is not fully understood. Here, we describe the atomistic mechanism of oriented attachment (OA) during solution synthesis of tunneled alpha-MnO2 nanowires based on a combination of in situ liquid cell transmission electron microscopy (TEM), aberration-corrected scanning TEM with subangstrom spatial resolution, and first-principles calculations. It is found that primary tunnels (1 x 1 and 2 x 2) attach along their common {110} lateral surfaces to form interfaces corresponding to 2 x 3 tunnels that facilitate their short-range ordering. The OA growth of alpha-MnO2 nanowires is driven by the stability gained from elimination of {110} surfaces and saturation of Mn atoms at {110}-edges. During this process, extra [MnOx] radicals in solution link the two adjacent {110} surfaces and bond with the unsaturated Mn atoms from both surface edges to produce stable nanowire interfaces. Our results provide insights into the nanomaterials in which tunneled structures can be tailored for use in catalysis, ion applications.
C1 [Yuan, Yifei; He, Kun] Michigan Technol Univ, Dept Mat Sci & Engn, 1400 Townsend Dr, Houghton, MI 49931 USA.
[Yuan, Yifei; Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Wood, Stephen M.; Tompseett, David; Islam, M. Saiful] Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.
[He, Kun] Shandong Univ, Dept Mat Sci & Engn, 17923 Jingshi Rd, Jinan 250061, Peoples R China.
[Yao, Wentao; Nie, Anmin; Shahbazian-Yassar, Reza] Michigan Technol Univ, Dept Mech Engn, 1400 Townsend Dr, Houghton, MI 49931 USA.
[Shahbazian-Yassar, Reza] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
RP Lu, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA.; Islam, MS (reprint author), Univ Bath, Dept Chem, Bath BA2 7AY, Avon, England.; Nie, AM; Shahbazian-Yassar, R (reprint author), Michigan Technol Univ, Dept Mech Engn, 1400 Townsend Dr, Houghton, MI 49931 USA.; Shahbazian-Yassar, R (reprint author), Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
EM junlu@anl.gov; anie@mtu.edu; M.S.Islam@bath.ac.uk; rsyassar@uic.edu
RI Nie, Anmin/N-7859-2014
OI Nie, Anmin/0000-0002-0180-1366
FU National Science Foundation [DMR-1410560]; NSF [CMMI-1200383]; Argonne
National Laboratory [4F31422]; U.S. Department of Energy from Vehicle
Technologies Office, Department of Energy, Office of Energy Efficiency
and Renewable Energy (EERE) [DE-AC0206CH11357]; MRI-R2 grant from
National Science Foundation [DMR-0959470]; EPSRC [EP/L016354,
EP/L000202/1]; MRI-R2 grant from the National Science Foundation
[DMR-0959470]
FX R. Shahbazian-Yassar acknowledges financial support from the National
Science Foundation (Award No. DMR-1410560). A. Nie and W. Yao were
partially funded by NSF Award No. CMMI-1200383. Partial funding for Y.
Yuan from Argonne National Laboratory under subcontract No. 4F31422 is
acknowledged. J. Lu was supported by the U.S. Department of Energy under
Contract DE-AC0206CH11357 from the Vehicle Technologies Office,
Department of Energy, Office of Energy Efficiency and Renewable Energy
(EERE). The acquisition of the UIC JEOL JEM-ARM200CF was supported by an
MRI-R2 grant from the National Science Foundation (Award No.
DMR-0959470). M. Islam acknowledges support from the EPSRC-funded CDT in
Sustainable Chemical Technologies (EP/L016354) and Materials Chemistry
consortium (EP/L000202/1) for Archer HPC/Archer facilities. This work
made use of the JEOL JEM-ARM200CF in the Electron Microscopy Service
(Research Resources Center, UIC). The acquisition of the UIC JEOL
JEM-ARM200CF was supported by a MRI-R2 grant from the National Science
Foundation [DMR-0959470]. We thank A. Nicholls and K. Low from RRC of
UIC for the assistance on TEM sample preparation, E. Laitila from the
Department of Materials Science and Engineering at MTU for his help with
XRD experiments, and C. Fisher from JFCC, Nagoya, Japan, for helpful
discussions.
NR 64
TC 7
Z9 7
U1 21
U2 54
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 539
EP 548
DI 10.1021/acsnano.5b05535
PG 10
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800057
PM 26649473
ER
PT J
AU Yang, SM
Paranthaman, MP
Noh, TW
Kalinin, SV
Strelcov, E
AF Yang, Sang Mo
Paranthaman, Mariappan Parans
Noh, Tae Won
Kalinin, Sergei V.
Strelcov, Evgheni
TI Nanoparticle Shape Evolution and Proximity Effects During Tip-Induced
Electrochemical Processes
SO ACS NANO
LA English
DT Article
DE scanning probe microscopy; electrochemistry; silver; proximity effect;
fractal; diffusion-limited aggregation
ID DIFFUSION-LIMITED AGGREGATION; FRACTAL GROWTH; NANOSCALE; BATTERIES;
ELECTRODEPOSITION; FERROELECTRICS; CHALLENGES; NUCLEATION; MICROSCOPY;
CLUSTERS
AB Voltage spectroscopies in scanning probe microscopy (SPM) techniques are widely used to investigate the electrochemical processes in nanoscale volumes, which are important for current key applications, such as batteries, fuel cells, catalysts, and memristors. The spectroscopic measurements are commonly performed on a grid of multiple points to yield spatially resolved maps of reversible and irreversible electrochemical functionalities. Hence, the spacing between measurement points is an important parameter to be considered, especially for irreversible electrochemical processes. Here, we report nonlocal electrochemical dynamics in chains of Ag particles fabricated by the SPM tip on a silver ion solid electrolyte. When the grid spacing is small compared with the size of the formed Ag particles,, anomalous chains of unequally sized particles with double periodicity evolve. This behavior is ascribed to a proximity effect during the tip-induced electrochemical process, specifically, size-dependent silver particle growth following the contact between the particles. In addition, fractal shape evolution of the formed Ag structures indicates that the growth-limiting process changes from Ag+/Ag redox reaction to Ag+-ion diffusion with the increase in the applied voltage and pulse duration. This study shows that characteristic shapes of the electrochemical products are good indicators for determining the underlying growth-limiting process, and emergence of complex phenomena during spectroscopic mapping of electrochemical functionalities.
C1 [Yang, Sang Mo; Kalinin, Sergei V.; Strelcov, Evgheni] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Yang, Sang Mo; Noh, Tae Won] Inst for Basic Sci Korea, Ctr Correlated Electron Syst, Seoul 151742, South Korea.
[Yang, Sang Mo; Noh, Tae Won] Seoul Natl Univ, Dept Phys & Astron, Seoul 151742, South Korea.
[Paranthaman, Mariappan Parans] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
RP Yang, SM (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.; Yang, SM (reprint author), Inst for Basic Sci Korea, Ctr Correlated Electron Syst, Seoul 151742, South Korea.; Yang, SM (reprint author), Seoul Natl Univ, Dept Phys & Astron, Seoul 151742, South Korea.
EM yangs@ornl.gov
OI Yang, Sang Mo/0000-0003-1809-2938
FU DOE Office of Science User Facility; DOE; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division; [IBS-R009-D1]
FX This research was supported (S.M.Y., S.V.K., and E.S.) by and conducted
at the Center for Nanophase Materials Sciences, which is a DOE Office of
Science User Facility. Support (S.M.Y. and S.V.K) was also provided by a
DOE Presidential Early Career for Scientists and Engineers. This
research was also supported (S.M.Y. and T.W.N.) by IBS-R009-D1, Korea.
Materials synthesis work (M.P.P.) was sponsored by the U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division.
NR 47
TC 1
Z9 1
U1 6
U2 32
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 663
EP 671
DI 10.1021/acsnano.5b05686
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800070
PM 26743324
ER
PT J
AU Hsu, CH
Dong, XH
Lin, ZW
Ni, B
Lu, PT
Jiang, Z
Tian, D
Shi, AC
Thomas, EL
Cheng, SZD
AF Hsu, Chih-Hao
Dong, Xue-Hui
Lin, Zhiwei
Ni, Bo
Lu, Pengtao
Jiang, Zhang
Tian, Ding
Shi, An-Chang
Thomas, Edwin L.
Cheng, Stephen Z. D.
TI Tunable Affinity and Molecular Architecture Lead to Diverse
Self-Assembled Supramolecular Structures in Thin Films
SO ACS NANO
LA English
DT Article
DE surface functionality; nanoparticles; molecular architecture;
self-assembly; thin film
ID X-RAY-SCATTERING; POLYHEDRAL OLIGOMERIC SILSESQUIOXANE; HEXAGONALLY
PERFORATED LAYER; ABC TRIBLOCK COPOLYMERS; BLOCK-COPOLYMER; SHAPE
AMPHIPHILES; PHASE-BEHAVIOR; DIBLOCK COPOLYMERS; GIANT SURFACTANTS; NM
DOMAINS
AB The self-assembly behavior of specifically designed giant surfactants is systematically studied in thin films using grazing incidence X-ray scattering and transmission electron microscopy, focusing on the effects of molecular nanoparticle (MNP) functionalities and molecular architectures on nanostructure formation. Two MNPs with different surface functionalities, i.e., hydrophilic carboxylic acid functionalized [60]fullerene (AC(60)) and omniphobic fluorinated polyhedral oligomeric silsesquioxane (FPOSS), are utilized as the head portions of the giant surfactants. By covalently tethering these functional MNPs onto the end point or junction point of polystyrene-block-poly(ethylene oxide) (PS-b-PEO) diblock copolymer, linear and star-like giant surfactants with different molecular architectures are constructed. With fixed length of the PEO block, changing the molecular weight of the PS block leads to the formation of various ordered phases and phase transitions. Due to the distinct affinity, the AC(60)-based and FPOSS-based giant surfactants form two- or three-component morphologies, respectively. A stretching parameter for the PS block is introduced to characterize the PS chain conformation in the different morphologies. The highly diverse self-assembled nanostructures with high etch resistance between components in small dimensions obtained from the giant surfactant thin films suggest that these macromolecules could provide a promising and robust platform for nanolithography applications.
C1 [Hsu, Chih-Hao; Dong, Xue-Hui; Lin, Zhiwei; Ni, Bo; Lu, Pengtao; Tian, Ding; Cheng, Stephen Z. D.] Univ Akron, Coll Polymer Sci & Polymer Engn, Dept Polymer Sci, Akron, OH 44325 USA.
[Jiang, Zhang] Argonne Natl Lab, Xray Sci Div, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
[Shi, An-Chang] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
[Thomas, Edwin L.] Rice Univ, Brown Sch Engn, Dept Mat Sci & Nano Engn, Houston, TX 77251 USA.
[Thomas, Edwin L.] Rice Univ, Brown Sch Engn, Dept Chem & Biomol Engn, Houston, TX 77251 USA.
RP Cheng, SZD (reprint author), Univ Akron, Coll Polymer Sci & Polymer Engn, Dept Polymer Sci, Akron, OH 44325 USA.; Shi, AC (reprint author), McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.; Thomas, EL (reprint author), Rice Univ, Brown Sch Engn, Dept Mat Sci & Nano Engn, Houston, TX 77251 USA.
EM shi@mcmaster.ca; elt@rice.edu; scheng@uakron.edu
RI Jiang, Zhang/A-3297-2012
OI Jiang, Zhang/0000-0003-3503-8909
FU National Science Foundation [DMR-1408872]; U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357];
Natural Science and Engineering Research Council (NSERC) of Canada
FX This work was supported by the National Science Foundation
(DMR-1408872). 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
DE-AC02-06CH11357. A.-C.S. is supported by the Natural Science and
Engineering Research Council (NSERC) of Canada.
NR 47
TC 10
Z9 10
U1 13
U2 67
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 919
EP 929
DI 10.1021/acsnano.5b06038
PG 11
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800100
PM 26623661
ER
PT J
AU Gulec, A
Phelan, D
Leighton, C
Klie, RF
AF Gulec, Ahmet
Phelan, Daniel
Leighton, Chris
Klie, Robert F.
TI Simultaneous First-Order Valence and Oxygen Vacancy Order/Disorder
Transitions in (Pr0.85Y0.15)(0.7)Ca0.3CoO3-delta via Analytical
Transmission Electron Microscopy
SO ACS NANO
LA English
DT Article
DE perovskite cobaltites; transmission electron microscopy; electron energy
loss spectroscopy; spin-state transitions; oxygen vacancy ordering
ID SPIN-STATE; PHASE-SEPARATION; LACOO3; COBALTITES; MANGANESE
AB Perovskite cobaltites have been studied for years as some of the few solids to exhibit thermally driven spin-state crossovers. The unanticipated first-order spin and electronic transitions recently discovered in Pr-based cobaltites are notably different from these conventional crossovers, and are understood in terms of a unique valence transition. In essence, the Pr valence is thought to spontaneously shift from 3+ toward 4+ on cooling, driving subsequent transitions in Co valence and electronic/magnetic properties. Here, we apply temperature-dependent transmission electron microscopy and spectroscopy to study this phenomenon, for the first time with atomic spatial resolution, in the prototypical (Pr0.85Y0.15)(0.70) Ca0.30CoO3-delta. In addition to the direct spectroscopic observation of charge transfer between Pr and Co at the 165 K transition (on both the Pr and O edges), we also find a simultaneous order/disorder transition associated with O vacancies. Remarkably, the first-order valence change drives a transition between ordered and random O vacancies, at constant O vacancy density, demonstrating reversible crystallization of such vacancies even at cryogenic temperatures.
C1 [Gulec, Ahmet; Klie, Robert F.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA.
[Phelan, Daniel; Leighton, Chris] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA.
[Phelan, Daniel] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
RP Klie, RF (reprint author), Univ Illinois, Dept Phys, Chicago, IL 60607 USA.
EM rfkliep@uic.edu
FU National Science Foundation [DMR-0846748, DMR-1408427]; NSF MRI-R2 grant
[DMR-0959470]; UIC Research Resources Center (RRC); DOE
[DE-FG02-06ER46275]; DOE Office of Science, Basic Energy Sciences,
Materials Science and Engineering Division
FX Work at UIC was supported by grants from the National Science Foundation
(Grant No. DMR-0846748 and DMR-1408427). The acquisition of the UIC JEOL
JEMARA4200CF was supported by a NSF MRI-R2 grant
(DMR-0959470). Support from the UIC Research Resources Center (RRC), in
particular A.W. Nicholls is acknowledged. Work at UMN was supported by
the DOE under DE-FG02-06ER46275. Work at ANL was supported by DOE Office
of Science, Basic Energy Sciences, Materials Science and Engineering
Division. The authors acknowledge the sample preparation efforts of M.
Taylor and K. Bhatti.
NR 58
TC 2
Z9 2
U1 2
U2 26
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 938
EP 947
DI 10.1021/acsnano.5b06067
PG 10
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800102
PM 26592896
ER
PT J
AU Wu, X
Zhang, YW
Takle, K
Bilsel, O
Li, ZJ
Lee, H
Zhang, ZJ
Li, DS
Fan, W
Duan, CY
Chan, EM
Lois, C
Xiang, Y
Han, G
AF Wu, Xiang
Zhang, Yuanwei
Takle, Kendra
Bilsel, Osman
Li, Zhanjun
Lee, Hyungseok
Zhang, Zijiao
Li, Dongsheng
Fan, Wei
Duan, Chunying
Chan, Emory M.
Lois, Carlos
Xiang, Yang
Han, Gang
TI Dye-Sensitized Core/Active Shell Upconversion Nanoparticles for
Optogenetics and Bioimaging Applications
SO ACS NANO
LA English
DT Article
DE bioimaging; core/active shell structure; dye-sensitizing; near-infrared;
optogenetics; upconversion nanoparticles
ID IN-VIVO; UPCONVERTING NANOPARTICLES; CORE/SHELL NANOPARTICLES; WIRELESS
OPTOGENETICS; PHOTODYNAMIC THERAPY; 2-PHOTON EXCITATION; DRUG-DELIVERY;
BROAD-BAND; LUMINESCENCE; LIGHT
AB Near-infrared (NIR) dye-sensitized upconversion nanoparticles (UCNPs) can broaden the absorption range and boost upconversion efficiency of UCNPs. Here, we achieved significantly enhanced up conversion luminescence in dye-sensitized core/active shell UCNPs via the doping of ytterbium ions (Yb3+) in the UCNP shell, which bridged the energy transfer from the dye to the UCNP core. As a result, we synergized the two most practical upconversion booster effectors (dye-sensitizing and core/shell enhancement) to amplify upconversion efficiency. We demonstrated two biomedical applications using these UCNPs. By using dye-sensitized core/active shell UCNP embedded poly(methyl methacrylate) polymer implantable systems, we successfully shifted the optogenetic neuron excitation window to a biocompatible and deep tissue penetrable 800 nm wavelength. Furthermore, UCNPs were water-solubilized with Pluronic F127 with high upconversion efficiency and can be imaged in a mouse model.
C1 [Wu, Xiang; Zhang, Yuanwei; Bilsel, Osman; Li, Zhanjun; Lee, Hyungseok; Han, Gang] Univ Massachusetts, Sch Med, Dept Biochem & Mol Pharmacol, Worcester, MA 01605 USA.
[Takle, Kendra; Lois, Carlos; Xiang, Yang] Univ Massachusetts, Sch Med, Dept Neurobiol, Worcester, MA 01605 USA.
[Wu, Xiang; Duan, Chunying] Dalian Univ Technol, State Key Lab Fine Chem, Dalian 116012, Peoples R China.
[Chan, Emory M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Zhang, Zijiao] Zhejiang Univ, Dept Mat Sci & Engn, Hangzhou 310027, Peoples R China.
[Li, Dongsheng] Pacific NW Natl Lab, Mat Sci Phys & Computat Sci Directorate, Richland, WA 99352 USA.
[Fan, Wei] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA.
RP Han, G (reprint author), Univ Massachusetts, Sch Med, Dept Biochem & Mol Pharmacol, Worcester, MA 01605 USA.
EM gang.han@umassmed.edu
RI Li, Zhanjun/K-3199-2012
FU China Scholarship Council (CSC); Worcester Foundation Mel Cutler Award;
National Institutes of Health [R01MH103133]; Human Frontier Science
Program [RGY-0090/2014]; U.S. Department of Energy [DE-AC02-05CH11231];
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences Early Career Research Program [67037]
FX This research was supported by the China Scholarship Council (CSC) to
X.W., a Worcester Foundation Mel Cutler Award, National Institutes of
Health R01MH103133 to G.H, C.L., and Y.X., Human Frontier Science
Program RGY-0090/2014 to G.H. and Y.X. Quantum yield work (E.M.C.) at
the Molecular Foundry was supported by the U.S. Department of Energy
under Contract No. DE-AC02-05CH11231. D.L. is supported by the U.S.
Department of Energy, Office of Science, Office of Basic Energy Sciences
Early Career Research Program, under Award No. 67037. We also thank Dr.
Shaul Aloni's help in TEM measurements.
NR 43
TC 30
Z9 30
U1 83
U2 219
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 1060
EP 1066
DI 10.1021/acsnano.5b06383
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800115
PM 26736013
ER
PT J
AU Poyser, CL
Czerniuk, T
Akimov, A
Diroll, BT
Gaulding, EA
Salasyuk, AS
Kent, AJ
Yakovlev, DR
Bayer, M
Murray, CB
AF Poyser, Caroline L.
Czerniuk, Thomas
Akimov, Andrey
Diroll, Benjamin T.
Gaulding, E. Ashley
Salasyuk, Alexey S.
Kent, Anthony J.
Yakovlev, Dmitri R.
Bayer, Manfred
Murray, Christopher B.
TI Coherent Acoustic Phonons in Colloidal Semiconductor Nanocrystal
Superlattices
SO ACS NANO
LA English
DT Article
DE nanocrystal superlattice; colloidal nanoparticles; thin film; acoustic
phonons; speed of sound
ID QUANTUM-DOT; SUPRA-CRYSTALS; SIZE; LIGHT; CDSE; PHOTODETECTORS;
NANOPARTICLES; MICROCRYSTALS; TEMPERATURE; EXCITATION
AB The phonon properties of films fabricated from colloidal semiconductor nanocrystals play a major role in thermal conductance and electron scattering, which govern the principles for building colloidal-based electronics and optics including thermoelectric devices with a high ZT factor. The key point in understanding the phonon properties is to obtain the strength of the elastic bonds formed by organic ligands connecting the individual nanocrystallites. In the case of very weak bonding, the ligands become the bottleneck for phonon transport between infinitively rigid nanocrystals. In the opposite case of strong bonding, the colloids cannot be considered as infinitively rigid beads and the distortion of the superlattice caused by phonons includes the distortion of the colloids themselves. We use the picosecond acoustics technique to study the acoustic coherent phonons in superlattices of nanometer crygtalline CdSe colloids. We observe the quantization of phonons with frequencies up to 30 GHz. The frequencies of quantized phonons depend on the thickness of the colloidal films and possess linear phonon dispersion. The measured speed of sound and corresponding wave modulus in the colloidal films point on the strong elastic coupling provided by organic ligands between colloidal nanocrystals.
C1 [Poyser, Caroline L.; Akimov, Andrey; Kent, Anthony J.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England.
[Czerniuk, Thomas; Yakovlev, Dmitri R.; Bayer, Manfred] TU Dortmund, Expt Phys 2, D-44227 Dortmund, Germany.
[Diroll, Benjamin T.; Murray, Christopher B.] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA.
[Gaulding, E. Ashley; Murray, Christopher B.] Univ Penn, Dept Mat Sci & Engn, 3231 Walnut St, Philadelphia, PA 19104 USA.
[Salasyuk, Alexey S.; Yakovlev, Dmitri R.; Bayer, Manfred] Russian Acad Sci, Ioffe Phys Tech Inst, St Petersburg 194021, Russia.
[Diroll, Benjamin T.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Akimov, A (reprint author), Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England.
EM andrey.akimov@nottingham.ac.uk
OI Poyser, Caroline/0000-0001-8228-8025
FU Department of Energy, Office of Basic Sciences, Division of Materials
Science [DE-SC0002158]; Deutsche Forschungsgemeinschaft [BA 1549/14-1];
German Ministry of Education and Research (BMBF) [FKZ: 05K13PE1];
Government of Russia [14.B25.31.0025]
FX We acknowledge Al. L. Efros, A. L. Efros, A. V. Scherbakov, and B. A.
Glavin for useful discussions. The work was partially supported by the
Department of Energy, Office of Basic Sciences, Division of Materials
Science (Award No. DE-SC0002158), Deutsche Forschungsgemeinschaft (BA
1549/14-1), and German Ministry of Education and Research (BMBF) (FKZ:
05K13PE1). A.S.S. thanks the Government of Russia for support through
Program P220 (Grant No. 14.B25.31.0025)
NR 56
TC 8
Z9 8
U1 6
U2 43
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 1163
EP 1169
DI 10.1021/acsnano.5b06465
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800128
PM 26696021
ER
PT J
AU Luo, LL
Zhao, BL
Xiang, B
Wang, CM
AF Luo, Langli
Zhao, Benliang
Xiang, Bin
Wang, Chong-Min
TI Size-Controlled Intercalation-to-Conversion Transition in Lithiation of
Transition-Metal Chalcogenides-NbSe3
SO ACS NANO
LA English
DT Article
DE transition-metal chalcogenides (TMCs); Li ion batteries; in situ TEM;
NbSe3; intercalation; conversion
ID ION BATTERY APPLICATIONS; MOLYBDENUM-DISULFIDE MOS2; LITHIUM BATTERIES;
TIS2 CATHODES; STORAGE; ELECTRODES; NANOSHEETS; GRAPHENE; NBSE3; LI
AB Transition-metal chalcogenides (TMCs) can be used either as intercalation cathodes or as conversion type anodes for lithium ion batteries, for which two distinctively different lithiation reaction mechanisms govern the electrochemical performance of TMCs. However, the factors that control the transition of lithiation mechanisms remain elusive. In this work, we investigated the lithiation process of NbSe3 ribbons using in situ transmission electron microscopy and observed a size-dependent transition from intercalation to the conversion reaction. Large NbSe3 ribbons can accommodate high concentrations of Li+ through intercalation by relaxing their internal spacing, while lithiation of small NbSe3 ribbons proceeds readily to full conversion. We found that the size-dependent variation of the lithiation mechanism is associated with both Le diffusion in NbSe3 and the accommodation of newly formed phases. For large NbSe3 ribbons, the intercalation-to conversion transition is impeded by both long-range Le diffusion and large-scale accommodation of volume expansion induced by the formation of new phases. These results demonstrate the inherent structural instability of NbSe3 as an intercalation cathode and its high lithiation rate as a promising conversion-type anode.
C1 [Luo, Langli; Wang, Chong-Min] Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
[Zhao, Benliang; Xiang, Bin] Univ Sci & Technol China, Chinese Acad Sci, Dept Mat Sci & Engn, Key Lab Mat Energy Convers, 96 Jinzhai Rd, Hefei 230026, Anhui, Peoples R China.
RP Wang, CM (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, 902 Battelle Blvd, Richland, WA 99352 USA.; Xiang, B (reprint author), Univ Sci & Technol China, Chinese Acad Sci, Dept Mat Sci & Engn, Key Lab Mat Energy Convers, 96 Jinzhai Rd, Hefei 230026, Anhui, Peoples R China.
EM binxiang@ustc.edu.cn; Chongmin.Wang@pnnl.gov
RI Xiang, Bin/C-9192-2012; Luo, Langli/B-5239-2013;
OI Luo, Langli/0000-0002-6311-051X
FU Office of Vehicle Technologies, U.S. Department of Energy (DOE) under
the Advanced Batteries Materials Research (BMR) Program
[DE-AC02-05CH11231, 18769, DE-AC-36-08GO28308]; Laboratory Directed
Research and Development Program as part of the Chemical Imaging
Initiative at PNNL; DOE's Office of Biological and Environmental
Research; DOE [DE-AC05-76RLO1830]; National Natural Science Foundation
of China [21373196]
FX This work at Pacific Northwest National Laboratory (PNNL) was supported
by the Assistant Secretary for Energy Efficiency and Renewable Energy,
Office of Vehicle Technologies, U.S. Department of Energy (DOE), under
Contracts DE-AC02-05CH11231, Subcontract 18769, and DE-AC-36-08GO28308
under the Advanced Batteries Materials Research (BMR) Program. The in
situ microscopic study described in this paper was supported by the
Laboratory Directed Research and Development Program as part of the
Chemical Imaging Initiative at PNNL. The work was conducted 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 PNNL. PNNL is
operated by Battelle for the DOE under Contract DE-AC05-76RLO1830. B.X.
acknowledges support from the National Natural Science Foundation of
China (21373196).
NR 29
TC 2
Z9 2
U1 15
U2 72
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1936-0851
EI 1936-086X
J9 ACS NANO
JI ACS Nano
PD JAN
PY 2016
VL 10
IS 1
BP 1249
EP 1255
DI 10.1021/acsnano.5b06614
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary
SC Chemistry; Science & Technology - Other Topics; Materials Science
GA DC3JO
UT WOS:000369115800138
PM 26593677
ER
PT J
AU Sabbi, E
Lennon, DJ
Anderson, J
Cignoni, M
van der Marel, RP
Zaritsky, D
De Marchi, G
Panagia, N
Gouliermis, DA
Grebel, EK
Gallagher, JS
Smith, LJ
Sana, H
Aloisi, A
Tosi, M
Evans, CJ
Arab, H
Boyer, M
de Mink, SE
Gordon, K
Koekemoer, AM
Larsen, SS
Ryon, JE
Zeidler, P
AF Sabbi, E.
Lennon, D. J.
Anderson, J.
Cignoni, M.
van der Marel, R. P.
Zaritsky, D.
De Marchi, G.
Panagia, N.
Gouliermis, D. A.
Grebel, E. K.
Gallagher, J. S., III
Smith, L. J.
Sana, H.
Aloisi, A.
Tosi, M.
Evans, C. J.
Arab, H.
Boyer, M.
de Mink, S. E.
Gordon, K.
Koekemoer, A. M.
Larsen, S. S.
Ryon, J. E.
Zeidler, P.
TI HUBBLE TARANTULA TREASURY PROJECT. III. PHOTOMETRIC CATALOG AND
RESULTING CONSTRAINTS ON THE PROGRESSION OF STAR FORMATION IN THE 30
DORADUS REGION
SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES
LA English
DT Article
DE catalogs; galaxies: star clusters: individual (30 Doradus); Magellanic
Clouds; stars: formation; stars: imaging; stars: pre-main sequence
ID LARGE-MAGELLANIC-CLOUD; INITIAL MASS FUNCTION; GRAVITATIONAL LENSING
EXPERIMENT; SUPERNOVA REMNANT N157B; GALAXY EVOLUTION SAGE; ALL-SKY
SURVEY; M-CIRCLE-DOT; SPACE-TELESCOPE; LUMINOSITY FUNCTION;
INTERSTELLAR-MEDIUM
AB We present and describe the astro-photometric catalog of more than 800,000 sources found in the Hubble Tarantula Treasury Project (HTTP). HTTP is a Hubble Space Telescope Treasury program designed to image the entire 30 Doradus region down to the sub-solar (similar to 0.5M(circle dot)) mass regime using the Wide Field Camera 3 and the Advanced Camera for Surveys. We observed 30 Doradus in the near-ultraviolet (F275W, F336W), optical (F555W, F658N, F775W), and near-infrared (F110W, F160W) wavelengths. The stellar photometry was measured using point-spread function fitting across all. bands simultaneously. The relative astrometric accuracy of the catalog is 0.4 mas. The astro-photometric catalog, results from artificial star experiments, and the mosaics for all the filters are available for download. Color-magnitude diagrams are presented showing the spatial distributions and ages of stars within 30 Dor as well as in the surrounding fields. HTTP provides the first rich and statistically significant sample of intermediate-and low-mass pre-main sequence candidates and allows us to trace how star formation has been developing through the region. The depth and high spatial resolution of our analysis highlight the dual role of stellar feedback in quenching and triggering star formation on the giant H II region scale. Our results are consistent with stellar sub-clustering in a partially filled gaseous nebula that is offset toward our side of the Large Magellanic Cloud.
C1 [Sabbi, E.; Anderson, J.; Cignoni, M.; van der Marel, R. P.; Panagia, N.; Sana, H.; Aloisi, A.; Arab, H.; Gordon, K.; Koekemoer, A. M.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
[Lennon, D. J.] ESA European Space Astron Ctr, Apdo Correo 78, E-28691 Madrid, Spain.
[Zaritsky, D.] Univ Arizona, Steward Observ, 933 North Cherry Ave, Tucson, AZ 85721 USA.
[De Marchi, G.] European Space Agcy, Dept Space Sci, Keplerlaan 1, NL-2200 AG Noordwijk, Netherlands.
[Panagia, N.] Osserv Astrofis Catania, Ist Nazl Astrofis, Via Santa Sofia 78, I-95123 Catania, Italy.
[Panagia, N.] Supernova Ltd, OYV 131,Northsound Rd, Virgin Gorda, British Virgin, England.
[Gouliermis, D. A.] Heidelberg Univ, Zentrum Astron, Inst Theoret Astrophys, Albert Ueberle Str 2, D-69120 Heidelberg, Germany.
[Gouliermis, D. A.] Max Planck Inst Astron, Konigstuhl 17, D-69117 Heidelberg, Germany.
[Grebel, E. K.; Zeidler, P.] Heidelberg Univ, Zentrum Astron, Astron Rechen Inst, Monchhofstr 12-14, D-69120 Heidelberg, Germany.
[Gallagher, J. S., III; Ryon, J. E.] Univ Wisconsin, Dept Astron, 475 N Charter St, Madison, WI 53706 USA.
[Smith, L. J.] ESA STScI, 3700 San Martin Dr, Baltimore, MD 21218 USA.
[Tosi, M.] Osservatorio Astron Bologna, Ist Nazl Astrofis, Via Ranzani 1, I-40127 Bologna, Italy.
[Evans, C. J.] Royal Observ, UK Astron Technol Ctr, Blackford Hill, Edinburgh EH9 3HJ, Midlothian, Scotland.
[Boyer, M.] NASA, Goddard Space Flight Ctr, Observat Cosmol Lab, Code 665, Greenbelt, MD 20771 USA.
[Boyer, M.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
[de Mink, S. E.] Univ Amsterdam, Astron Inst Anton Pannekoek, POB 94249, NL-1090 GE Amsterdam, Netherlands.
[Larsen, S. S.] Radboud Univ Nijmegen, Dept Astrophys IMAPP, POB 9010, NL-6500 GL Nijmegen, Netherlands.
RP Sabbi, E (reprint author), Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA.
EM sabbi@stsci.edu
RI Cignoni, Michele/J-9365-2016; Tosi, Monica/O-9377-2015; Sana,
Hugues/B-2664-2013;
OI Cignoni, Michele/0000-0001-6291-6813; Tosi, Monica/0000-0002-0986-4759;
Sana, Hugues/0000-0001-6656-4130; de Mink, Selma/0000-0001-9336-2825;
Lennon, Daniel/0000-0003-3063-4867; /0000-0002-1891-3794; Koekemoer,
Anton/0000-0002-6610-2048
FU NASA [NAS 5-26555]; NASA through grants from the Space Telescope Science
Institute [12499, 12939]; German Research Foundation (DFG) [GO 1659/3-2,
SFB 881, B5]; European Commission [H2020-MSCA-IF-2014, 661502]; Italian
MIUR [PRIN-MIUR 2010LY5N2T]
FX We thank the anonymous referee for the thorough review and highly
appreciate the comments and suggestions. which significantly contributed
to improving the quality of this paper. We thank Karen Levay and the
MAST HLSP Team at STScI for their invaluable help in releasing to the
astronomical community all the high level science products associated
with HTTP. Based on observations with the NASA/ESA Hubble Space
Telescope, obtained at the Space Telescope Science Institute, which is
operated by AURA Inc., under NASA contract NAS 5-26555. These
observations were associated with Programs 12499 and 12939. Support for
both Programs 12499 and 12939 was provided by NASA through grants from
the Space Telescope Science Institute. D.A.G. kindly acknowledges
financial support by the German Research Foundation (DFG) through grant
GO 1659/3-2. S.d.M. acknowledges support by the European Commission,
grant H2020-MSCA-IF-2014, project ID 661502. M.T. was partially funded
by the Italian MIUR through the grant PRIN-MIUR 2010LY5N2T. E.K.G.
acknowledges support by Sonderforschungsbereich SFB 881 "The Milky Way
System" of the German Research Foundation (DFG), particularly subproject
B5.
NR 94
TC 4
Z9 4
U1 2
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0067-0049
EI 1538-4365
J9 ASTROPHYS J SUPPL S
JI Astrophys. J. Suppl. Ser.
PD JAN
PY 2016
VL 222
IS 1
AR 11
DI 10.3847/0067-0049/222/1/11
PG 25
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DC1NF
UT WOS:000368982300011
ER
PT J
AU Sanbonmatsu, KY
AF Sanbonmatsu, Karissa Y.
TI Towards structural classification of long non-coding RNAs
SO BIOCHIMICA ET BIOPHYSICA ACTA-GENE REGULATORY MECHANISMS
LA English
DT Article
DE RNA; Long non-coding RNA; Non-coding RNA; RNA structure; RNA
biochemistry
ID STEROID-RECEPTOR RNA; X-CHROMOSOME INACTIVATION; SECONDARY STRUCTURE
MODEL; GENOME-WIDE MEASUREMENT; GENE-EXPRESSION; S-ADENOSYLMETHIONINE;
NUCLEAR PARASPECKLES; BINDING-PROTEINS; ACTIVATOR SRA; RIBOSOMAL-RNA
AB While long non-coding RNAs play key roles in disease and development, few structural studies have been performed to date for this emerging class of RNAs. Previous structural studies are reviewed, and a pipeline is presented to determine secondary structures of long non-coding RNAs. Similar to riboswitches, experimentally determined secondary structures of long non-coding RNAs for one species, may be used to improve sequence/structure alignments for other species. As riboswitches have been classified according to their secondary structure, a similar scheme could be used to classify long non-coding RNAs. This article is part of a Special Issue titled: Clues to long noncoding RNA taxonomy1, edited by Dr. Tetsuro Hirose and Dr. Shinichi Nakagawa. (C) 2015 Published by Elsevier B.V.
C1 [Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Sanbonmatsu, KY (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM kys@lanl.gov
FU United States Department of Energy [W-740- ENG-36]; LDRD program at Los
Alamos National Laboratory
FX This work was performed under the auspices of the United States
Department of Energy under contract W-740- ENG-36 and the LDRD program
at Los Alamos National Laboratory.
NR 72
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Z9 3
U1 1
U2 10
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1874-9399
EI 0006-3002
J9 BBA-GENE REGUL MECH
JI Biochim. Biophys. Acta-Gene Regul. Mech.
PD JAN
PY 2016
VL 1859
IS 1
BP 41
EP 45
DI 10.1016/j.bbagrm.2015.09.011
PG 5
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA DB8DQ
UT WOS:000368747600006
PM 26537437
ER
PT J
AU Tan, ECD
Talmadge, M
Dutta, A
Hensley, J
Snowden-Swan, LJ
Humbird, D
Schaidle, J
Biddy, M
AF Tan, Eric C. D.
Talmadge, Michael
Dutta, Abhijit
Hensley, Jesse
Snowden-Swan, Lesley J.
Humbird, David
Schaidle, Joshua
Biddy, Mary
TI Conceptual process design and economics for the production of
high-octane gasoline blendstock via indirect liquefaction of biomass
through methanol/dimethyl ether intermediates
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE biomass; thermochemical conversion; indirect gasification; dimethyl
ether homologation; high-octane gasoline; process design;
techno-economic analysis; sustainability
ID DIMETHYL ETHER; PILOT-SCALE; METHANOL
AB This work describes in detail one potential conversion process for the production of high-octane gasoline blendstock via indirect liquefaction of biomass. The processing steps of this pathway include the conversion of biomass to synthesis gas via indirect gasification, gas clean-up via reforming of tars and other hydrocarbons, catalytic conversion of syngas to methanol, methanol dehydration to dimethyl ether (DME), and the homologation of DME over a zeolite catalyst to high-octane gasoline-range hydrocarbon products. The current process configuration has similarities to conventional methanol-to-gasoline (MTG) technologies, but there are key distinctions, specifically regarding the product slate, catalysts, and reactor conditions. A techno-economic analysis is performed to investigate the production of high-octane gasoline blendstock. The design features a processing daily capacity of 2000 tonnes (2205 short tons) of dry biomass. The process yields 271 liters of liquid fuel per dry tonne of biomass (65 gal/dry ton), for an annual fuel production rate of 178 million liters (47 MM gal) at 90% on-stream time. The estimated total capital investment for an n(th)-plant is $438 million. The resulting minimum fuel selling price (MFSP) is $0.86 per liter or $3.25 per gallon in 2011 US dollars. A rigorous sensitivity analysis captures uncertainties in costs and plant performance. Sustainability metrics for the conversion process are quantified and assessed. The potential premium value of the high-octane gasoline blendstock is examined and found to be at least as competitive as fossil-derived blendstocks. A simple blending strategy is proposed to demonstrate the potential for blending the biomass-derived blendstock with petroleum-derived intermediates. Published 2015. This article is a U.S. Government work and is in the public domain in the USA. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.
C1 [Tan, Eric C. D.; Talmadge, Michael; Dutta, Abhijit; Hensley, Jesse; Schaidle, Joshua; Biddy, Mary] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
[Snowden-Swan, Lesley J.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Humbird, David] DWH Proc Consulting LLC, Centennial, CO USA.
RP Tan, ECD (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM eric.tan@nrel.gov
FU US Department of Energy's Biomass Program [DE-AC36-08-GO28308]; National
Renewable Energy Laboratory; US Department of Energy [DE-AC05-76RL01830]
FX This work was supported by the US Department of Energy's Biomass
Program, funding under Contract DE-AC36-08-GO28308 with the National
Renewable Energy Laboratory. Pacific Northwest National Laboratory is
operated for the US Department of Energy by Battelle under Contract
DE-AC05-76RL01830. We thank Jeff Ross, Danielle Sexton, Raymond Yap, and
John Lukas at Harris Group Inc., for help in some equipment cost
estimation and process flow diagram.
NR 39
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U1 10
U2 29
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-104X
EI 1932-1031
J9 BIOFUEL BIOPROD BIOR
JI Biofuels Bioprod. Biorefining
PD JAN-FEB
PY 2016
VL 10
IS 1
BP 17
EP 35
DI 10.1002/bbb.1611
PG 19
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA DB9MI
UT WOS:000368839900012
ER
PT J
AU Sokhansanj, S
Webb, E
AF Sokhansanj, Shahab
Webb, Erin
TI Evaluating industrial drying of cellulosic feedstock for bioenergy: a
systems approach
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE bioenergy feedstocks; biomass dryers; biomass burners; moisture content;
humidity ratio; heat energy; drying costs; heat recycling
ID BIOMASS; TECHNOLOGIES
AB A large portion of herbaceous and woody biomass must be dried following harvest. Natural field drying is possible if the weather cooperates. Mechanical drying is a certain way of reducing the moisture content of biomass. This paper presents an engineering analysis applied to drying of 10 Mg h(-1) (exit mass flow) of biomass with an initial moisture content ranging from 25% to 70% (wet mass basis) down to 10% exit moisture content. The requirement for hog fuel to supply heat to the dryer increases from 0.5 dry Mg to 3.8 dry Mg h(-1) with the increased initial moisture of biomass. The capital cost for the entire drying system including equipment for biomass size reduction, pollution control, dryer, and biomass combustor sums up to more than $4.7 million. The operating cost (electricity, labor, repair, and maintenance) minus fuel cost for the dryer alone amount to 4.05 Mg-1 of dried biomass. For 50% moisture content biomass, the cost of fuel to heat the drying air is $7.41/ dry ton of biomass for a total $11.46 per dry ton at 10% moisture content. The fuel cost ranges from a low of $2.21 to a high of $18.54 for a biomass at an initial moisture content of 25% to 75%, respectively. This wide range in fuel cost indicates the extreme sensitivity of the drying cost to initial moisture content of biomass and to ambient air humidity and temperature and highlights the significance of field drying for a cost effective drying operation. (c) 2016 Society of Chemical Industry and John Wiley & Sons, Ltd
C1 [Sokhansanj, Shahab; Webb, Erin] Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
RP Sokhansanj, S (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM sokhansanjs@ornl.gov
FU Bioenergy Technology Office of the US Department of the Energy's Energy
Efficiency and Renewable Energy
FX The Bioenergy Technology Office of the US Department of the Energy's
Energy Efficiency and Renewable Energy supported and funded this study.
The authors gratefully acknowledge Deborah Counce for assistance with
editing and formatting this report.
NR 19
TC 0
Z9 0
U1 2
U2 6
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-104X
EI 1932-1031
J9 BIOFUEL BIOPROD BIOR
JI Biofuels Bioprod. Biorefining
PD JAN-FEB
PY 2016
VL 10
IS 1
BP 47
EP 55
DI 10.1002/bbb.1619
PG 9
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA DB9MI
UT WOS:000368839900014
ER
PT J
AU Zhang, YM
Heath, G
Carpenter, A
Fisher, N
AF Zhang, Yimin
Heath, Garvin
Carpenter, Alberta
Fisher, Noah
TI Air pollutant emissions inventory of large-scale production of selected
biofuels feedstocks in 2022
SO BIOFUELS BIOPRODUCTS & BIOREFINING-BIOFPR
LA English
DT Article
DE biomass; bioenergy; sustainability; air quality; second-generation
ID UNITED-STATES; QUALITY IMPACTS; GASOLINE; ETHANOL
AB For climate protection and energy security reasons, biofuels are proposed to replace a significant fraction of fossil transportation fuel. Recognition of differences in production pathways between biofuels and fossil fuels has motivated an emerging literature that considers air quality and human health impacts of potential changes to the magnitude, location, timing, and type of air pollutants emitted. To inform research and development of advanced biofuel production systems as well as air quality management decisions, we have developed a highly resolved inventory of air pollutant emissions for a baseline scenario of current and future US biofuel feedstock production systems using data from recent research. We find that in most US counties, production of cellulosic biofuel feedstocks using advanced practices exhibits lower air pollutant emissions than current corn grain production. An analysis of the contributing sources to each of the seven evaluated air pollutants helps identify emission reduction opportunities. Compared to the 2008 National Emissions Inventory, production of cellulosic biofuel feedstocks to meet regulatory requirements in 2022 typically represents small increments of air emissions, though for certain pollutants and counties, a threshold may be reached whereby further examination may be warranted to ensure air quality standards can be achieved. Given that the advanced biofuel supply chain system is in its infancy, considerable opportunities exist to minimize adverse impacts while maximizing the benefits of advanced biofuels. This analysis enables more informed technology development decisions and identification of mitigation opportunities in the biofuel feedstock production stage. (c) 2015 Society of Chemical Industry and John Wiley & Sons, Ltd
C1 [Zhang, Yimin; Heath, Garvin; Carpenter, Alberta] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Fisher, Noah] Natl Renewable Energy Lab, Technol Syst & Sustainabil Anal Grp, Golden, CO 80401 USA.
RP Heath, G (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM Garvin.Heath@nrel.gov
FU US Department of Energy's Bioenergy Technologies Office
[DE-AC36-08-GO28308]; National Renewable Energy Laboratory
FX Funding for this project was provided by the US Department of Energy's
Bioenergy Technologies Office under Contract No. DE-AC36-08-GO28308 with
the National Renewable Energy Laboratory. The authors appreciate the
feedback and contributions from Chris Tessum, Jason Hill, and Julian
Marshall (University of Minnesota); Jacob Jacobson (Idaho National
Laboratory); Laurence Eaton and Anthony Turhollow (Oak Ridge National
Laboratory); Chad Hellwinckel (University of Tennessee); and Michael
Wang (Argonne National Laboratory).
NR 43
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U1 4
U2 20
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1932-104X
EI 1932-1031
J9 BIOFUEL BIOPROD BIOR
JI Biofuels Bioprod. Biorefining
PD JAN-FEB
PY 2016
VL 10
IS 1
BP 56
EP 69
DI 10.1002/bbb.1620
PG 14
WC Biotechnology & Applied Microbiology; Energy & Fuels
SC Biotechnology & Applied Microbiology; Energy & Fuels
GA DB9MI
UT WOS:000368839900015
ER
PT J
AU Neumann, RB
Blazewicz, SJ
Conaway, CH
Turetsky, MR
Waldrop, MP
AF Neumann, Rebecca B.
Blazewicz, Steven J.
Conaway, Christopher H.
Turetsky, Merritt R.
Waldrop, Mark P.
TI Modeling CH4 and CO2 cycling using porewater stable isotopes in a
thermokarst bog in Interior Alaska: results from three conceptual
reaction networks
SO BIOGEOCHEMISTRY
LA English
DT Article
DE Carbon fluxes; Homoacetogenesis; Methanogenesis; Methanotrophy;
Microbial rates; Peat; Model; (CO2)-C-13; (CH4)-C-13; Carbon isotopes
ID NORTH CENTRAL ALBERTA; NEW-HAMPSHIRE WETLAND; CAREX DOMINATED FEN;
METHANE PRODUCTION; CARBON ISOTOPES; ORGANIC-MATTER; METHANOGENIC
ARCHAEA; PEATLAND ECOSYSTEMS; LOW-TEMPERATURE; PERMAFROST
AB Quantifying rates of microbial carbon transformation in peatlands is essential for gaining mechanistic understanding of the factors that influence methane emissions from these systems, and for predicting how emissions will respond to climate change and other disturbances. In this study, we used porewater stable isotopes collected from both the edge and center of a thermokarst bog in Interior Alaska to estimate in situ microbial reaction rates. We expected that near the edge of the thaw feature, actively thawing permafrost and greater abundance of sedges would increase carbon, oxygen and nutrient availability, enabling faster microbial rates relative to the center of the thaw feature. We developed three different conceptual reaction networks that explained the temporal change in porewater CO2, CH4, delta C-13-CO2 and delta C-13-CH4. All three reaction-network models included methane production, methane oxidation and CO2 production, and two of the models included homoacetogenesis-a reaction not previously included in isotope-based porewater models. All three models fit the data equally well, but rates resulting from the models differed. Most notably, inclusion of homoacetogenesis altered the modeled pathways of methane production when the reaction was directly coupled to methanogenesis, and it decreased gross methane production rates by up to a factor of five when it remained decoupled from methanogenesis. The ability of all three conceptual reaction networks to successfully match the measured data indicate that this technique for estimating in situ reaction rates requires other data and information from the site to confirm the considered set of microbial reactions. Despite these differences, all models indicated that, as expected, rates were greater at the edge than in the center of the thaw bog, that rates at the edge increased more during the growing season than did rates in the center, and that the ratio of acetoclastic to hydrogenotrophic methanogenesis was greater at the edge than in the center. In both locations, modeled rates (excluding methane oxidation) increased with depth. A puzzling outcome from the effort was that none of the models could fit the porewater dataset without generating "fugitive" carbon (i.e., methane or acetate generated by the models but not detected at the field site), indicating that either our conceptualization of the reactions occurring at the site remains incomplete or our site measurements are missing important carbon transformations and/or carbon fluxes. This model-data discrepancy will motivate and inform future research efforts focused on improving our understanding of carbon cycling in permafrost wetlands.
C1 [Neumann, Rebecca B.] Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
[Blazewicz, Steven J.; Conaway, Christopher H.; Waldrop, Mark P.] US Geol Survey, 345 Middlefield Rd, Menlo Pk, CA 94025 USA.
[Turetsky, Merritt R.] Univ Guelph, Dept Integrat Biol, Guelph, ON N1G 2W1, Canada.
[Blazewicz, Steven J.] Lawrence Livermore Natl Lab, Livermore, CA USA.
RP Neumann, RB (reprint author), Univ Washington, Dept Civil & Environm Engn, Seattle, WA 98195 USA.
EM rbneum@uw.edu
FU U.S. Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-SC-0010338]; U.S. National Aeronautics and
Space Administration NASA [NNX11AR16G]; USGS Climate Science Center;
USGS Mendenhall Postdoctoral Fellowship program; Bonanza Creek LTER
Program; NSF [DEB 1026415]; USDA Forest Service, Pacific Northwest
Research Station [PNW01-JV112619320-16]; USGS Climate and Land RD
Program
FX We thank Julie Shoemaker for input and advice on the reaction network
modeling; Burt Thomas for input and advice on the peeper method; Monica
Haw, Torren Campbell and Sabrina Sevilgen for laboratory assistance;
Lily Cohen and Sarah Wood for field assistance; Jack McFarland for
sharing oxygen data; Eugenie Euskirchen, Jennifer Harden, and David
McGuire for their participation in the APEX research program; and Jeff
Chanton, Larry Miller and an anonymous reviewer for input that improved
the manuscript. This material is based upon work supported, in part, by
the U.S. Department of Energy, Office of Science, Office of Biological
and Environmental Research under Award Number DE-SC-0010338; the U.S.
National Aeronautics and Space Administration NASA grant NNX11AR16G; the
USGS Climate Science Center and USGS Climate and Land R&D Program; and
the USGS Mendenhall Postdoctoral Fellowship program. Research
Experiences for Undergraduates (REU) funding and considerable logistic
support were provided by the Bonanza Creek LTER Program, which is
jointly funded by NSF (DEB 1026415) and the USDA Forest Service, Pacific
Northwest Research Station (PNW01-JV112619320-16). Any use of trade
names is for descriptive purposes only and does not imply endorsement by
the U.S. Government. Data used in this publication are available on the
Bonanza Creek LTER website (www.lter.uaf.edu/data.cfm).
NR 74
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U1 9
U2 32
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0168-2563
EI 1573-515X
J9 BIOGEOCHEMISTRY
JI Biogeochemistry
PD JAN
PY 2016
VL 127
IS 1
BP 57
EP 87
DI 10.1007/s10533-015-0168-2
PG 31
WC Environmental Sciences; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Geology
GA DB7UT
UT WOS:000368722700005
ER
PT J
AU Hines, WC
Kuhn, I
Thi, K
Chu, B
Stanford-Moore, G
Sampayo, R
Garbe, JC
Stampfer, M
Borowsky, AD
Bissell, MJ
AF Hines, William C.
Kuhn, Irene
Thi, Kate
Chu, Berbie
Stanford-Moore, Gaelen
Sampayo, Rocio
Garbe, James C.
Stampfer, Martha
Borowsky, Alexander D.
Bissell, Mina J.
TI 184AA3: a xenograft model of ER breast adenocarcinoma
SO BREAST CANCER RESEARCH AND TREATMENT
LA English
DT Article
DE Luminal breast cancer models; Xenograft; Intratumoral heterogeneity;
Microenvironment
ID MAMMARY EPITHELIAL-CELLS; CANCER CELLS; TUMOR HETEROGENEITY;
IDENTIFICATION; GROWTH; LINES; MULTIPOTENCY; METASTASIS; DISEASE
AB Despite the prevalence and significant morbidity resulting from estrogen receptor positive (ER+) breast adenocarcinomas, there are only a few models of this cancer subtype available for drug development and arguably none for studying etiology. Those models that do exist have questionable clinical relevance. Given our goal of developing luminal models, we focused on six cell lines derived by minimal mutagenesis from normal human breast cells, and asked if any could generate clinically relevant xenografts, which we then extensively characterized. Xenografts of one cell line, 184AA3, consistently formed ER+ adenocarcinomas that had a high proliferative rate and other features consistent with "luminal B" intrinsic subtype. Squamous and spindle cell/mesenchymal differentiation was absent, in stark contrast to other cell lines that we examined or others have reported. We explored intratumoral heterogeneity produced by 184AA3 by immunophenotyping xenograft tumors and cultured cells, and characterized marker expression by immunofluorescence and flow cytometry. A CD44111gh subpopulation was discovered, yet their tumor forming ability was far less than CD44(Low) cells. Single cell cloning revealed the phenotypic plasticity of 184AA3, consistent with the intratumoral heterogeneity observed in xenografts. Characterization of ER expression in cultures revealed ER protein and signaling is intact, yet when estrogen was depleted in culture, and in vivo, it did not impact cell or tumor growth, analogous to therapeutically resistant ER+ cancers. This model is appropriate for studies of the etiology of ovarian hormone independent adenocarcinomas, for identification of therapeutic targets, predictive testing, and drug development.
C1 [Hines, William C.; Kuhn, Irene; Thi, Kate; Chu, Berbie; Stanford-Moore, Gaelen; Garbe, James C.; Stampfer, Martha; Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Mailstop 977R225A,1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Sampayo, Rocio] Inst Oncol Angel H Roffo UBA, Area Invest, Buenos Aires, DF, Argentina.
[Borowsky, Alexander D.] Univ Calif Davis, Dept Pathol & Lab Med, Davis, CA 95616 USA.
[Borowsky, Alexander D.] Univ Calif Davis, Ctr Comparat Med, Davis, CA 95616 USA.
RP Hines, WC; Bissell, MJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Biol Syst & Engn Div, Mailstop 977R225A,1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM CHines@LBL.GOV; MJBissell@LBL.GOV
FU U.S. Department of Defense [W81XWH0810736, W81XWH12M9532]; National
Cancer Institute [R37CA064786, R01CA140663, U54CA112970]; U.S.
Department of Energy, Office of Biological and Environmental Research
and Low Dose Scientific Focus Area [DE-AC02-05CH1123]; Breast Cancer
Research Foundation
FX For their invaluable technical assistance during this project, we thank
Maria Rojec, Dinah Groesser, Alvin Lo, Sun Young Lee, Xuefei Tian, and
Eva Lee (Lawrence Berkeley National Laboratory). We appreciate also the
expertise and help given by Judith Walls and Ed Hubbard (University of
California, Davis Center for Comparative Medicine). We express special
gratitude also to Michelle Scott of the LBNL flow cytometry and Advanced
microscopy facility for her expert technical advice and assistance.
Grant support: Innovator award to M.J.B. from the U.S. Department of
Defense (W81XWH0810736 and W81XWH12M9532) and in part by National Cancer
Institute awards (R37CA064786, R01CA140663, U54CA112970) and by grants
from the U.S. Department of Energy, Office of Biological and
Environmental Research and Low Dose Scientific Focus Area (Contract No.
DE-AC02-05CH1123) and the Breast Cancer Research Foundation. The funders
had no role in the study design, data collection and analysis, decision
to publish, or preparation of the manuscript.
NR 42
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0167-6806
EI 1573-7217
J9 BREAST CANCER RES TR
JI Breast Cancer Res. Treat.
PD JAN
PY 2016
VL 155
IS 1
BP 37
EP 52
DI 10.1007/s10549-015-3649-z
PG 16
WC Oncology
SC Oncology
GA DC1VB
UT WOS:000369004200005
PM 26661596
ER
PT J
AU Li, HY
Meng, B
Chai, SH
Liu, HL
Dai, S
AF Li, Haiying
Meng, Bo
Chai, Song-Hai
Liu, Honglai
Dai, Sheng
TI Hyper-crosslinked beta-cyclodextrin porous polymer: an
adsorption-facilitated molecular catalyst support for transformation of
water-soluble aromatic molecules
SO CHEMICAL SCIENCE
LA English
DT Article
ID FUNCTIONALIZED MESOPOROUS SILICA; ORGANIC POLYMERS; P-NITROPHENOL;
WASTE-WATER; REDUCTION; REMOVAL; NANOCOMPOSITES; 4-NITROPHENOL;
NANOPARTICLES; SEPARATION
AB A hyper-crosslinked beta-cyclodextrin porous polymer (BnCD-HCPP) was designed and synthesized facilely by beta-cyclodextrin benzylation and subsequent crosslinking via a Friedel-Crafts alkylation route. The BnCD-HCPP shows an extremely high BET surface area, large pore volume, and high thermal stability, making it a highly efficient adsorbent for removal of aromatic pollutants from water. The adsorption efficiency in terms of distribution coefficient, defined as the ratio of adsorption capacity to equilibrium adsorbate concentration, ranged from 103 to 106 mL g(-1) within a concentration of 0-100 ppm, one order of magnitude higher than that of other beta-cyclodextrin-based adsorbents reported previously. The molar percentage of adsorbate to beta-cyclodextrin exceeded 300%, suggesting that the adsorption occurred not only in the cyclodextrin cavities via a 1 : 1 complexation, but also in the nanopores of the BnCD-HCPP created during the hyper-crosslinking. The BnCD-HCPP can be further functionalized by incorporation of gold nanoparticles for catalytic transformation of adsorbed phenolic compounds such as 4-nitrophenol to 4-aminophenol.
C1 [Li, Haiying; Liu, Honglai] E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.
[Li, Haiying; Liu, Honglai] E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China.
[Li, Haiying; Dai, Sheng] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.
[Meng, Bo; Chai, Song-Hai; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
RP Liu, HL (reprint author), E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China.; Liu, HL (reprint author), E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China.; Dai, S (reprint author), Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA.; Chai, SH; Dai, S (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
EM schai@utk.edu; hlliu@ecust.edu.cn; dais@ornl.gov
RI Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Chemical Sciences, Geosciences, and Biosciences Division; 111 Project of
China [B08021]
FX H. Li and H. Liu thank the National Basic Research Program of China
(2013CB733501), the National Natural Science Foundation of China (No.
91334203), the 111 Project of China (No. B08021) and the Fundamental
Research Funds for the Central Universities of China. S. Chai and S. Dai
were supported by the U.S. Department of Energy, Office of Science,
Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences
Division.
NR 38
TC 12
Z9 12
U1 28
U2 89
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2016
VL 7
IS 2
BP 905
EP 909
DI 10.1039/c5sc04034e
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300007
ER
PT J
AU Turkin, A
Zhang, L
Marcozzi, A
Mangel, WF
Herrmann, A
van Oijen, AM
AF Turkin, Alexander
Zhang, Lei
Marcozzi, Alessio
Mangel, Walter F.
Herrmann, Andreas
van Oijen, Antoine M.
TI Speeding up biomolecular interactions by molecular sledding
SO CHEMICAL SCIENCE
LA English
DT Article
ID DNA-TEMPLATED SYNTHESIS; ADENOVIRUS-PROTEINASE; VIRAL-PROTEINASE; GROOVE
BINDER; IN-VITRO; PEPTIDE; PCR; PROCESSIVITY; POLYMERASE
AB Numerous biological processes involve association of a protein with its binding partner, an event that is preceded by a diffusion-mediated search bringing the two partners together. Often hindered by crowding in biologically relevant environments, three-dimensional diffusion can be slow and result in long bimolecular association times. Similarly, the initial association step between two binding partners often represents a rate-limiting step in biotechnologically relevant reactions. We demonstrate the practical use of an 11-a.a. DNA-interacting peptide derived from adenovirus to reduce the dimensionality of diffusional search processes and speed up associations between biological macromolecules. We functionalize binding partners with the peptide and demonstrate that the ability of the peptide to one-dimensionally diffuse along DNA results in a 20-fold reduction in reaction time. We also show that modifying PCR primers with the peptide sled enables significant acceleration of standard PCR reactions.
C1 [Turkin, Alexander; van Oijen, Antoine M.] Univ Groningen, Zernike Inst Adv Mat, Single Mol Biophys, NL-9747 AG Groningen, Netherlands.
[Zhang, Lei; Marcozzi, Alessio; Herrmann, Andreas] Univ Groningen, Dept Polymer Chem, Zernike Inst Adv Mat, Nijenborgh 16, NL-9747 AG Groningen, Netherlands.
[Mangel, Walter F.] Brookhaven Natl Lab, Upton, NY 11973 USA.
RP van Oijen, AM (reprint author), Univ Groningen, Zernike Inst Adv Mat, Single Mol Biophys, NL-9747 AG Groningen, Netherlands.; Herrmann, A (reprint author), Univ Groningen, Dept Polymer Chem, Zernike Inst Adv Mat, Nijenborgh 16, NL-9747 AG Groningen, Netherlands.
EM a.herrmann@rug.nl; m.van.oijen@rug.nl
OI van Oijen, Antoine/0000-0002-1794-5161; Herrmann,
Andreas/0000-0002-8886-0894
FU Netherlands Organization for Scientific Research (NWO) [Vici
680-47-607]; European Research Council (ERC) [281098]; National
Institute of Allergy and Infectious Diseases of the National Institutes
of Health [R01AI41599, R21AI113565]
FX The authors thank Paul Blainey for useful discussions and Reinoud
Mollema for assistance with the graphic design of the figures. A.M.v.O.
and A.H. would like to acknowledge funding from the Netherlands
Organization for Scientific Research (NWO; Vici 680-47-607) and the
European Research Council (ERC Starting Grant 281098). Some of the
research reported in this publication was supported by the National
Institute of Allergy and Infectious Diseases of the National Institutes
of Health under Awards Numbered R01AI41599 and R21AI113565, to W.F.M.
The content is solely the responsibility of the authors and does not
necessarily represent the official views of the National Institutes of
Health.
NR 27
TC 4
Z9 4
U1 3
U2 9
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2016
VL 7
IS 2
BP 916
EP 920
DI 10.1039/c5sc03063c
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300009
PM 26913169
ER
PT J
AU Sarma, D
Malliakas, CD
Subrahmanyam, KS
Islama, SM
Kanatzidis, MG
AF Sarma, Debajit
Malliakas, Christos D.
Subrahmanyam, K. S.
Islama, Saiful M.
Kanatzidis, Mercouri G.
TI K2xSn4-xS8-x (x=0.65-1): a new metal sulfide for rapid and selective
removal of Cs+, Sr2+ and UO22+ ions
SO CHEMICAL SCIENCE
LA English
DT Article
ID FUKUSHIMA NUCLEAR ACCIDENT; ACIDIC RADIOACTIVE-WASTE; LAYERED TIN(IV)
SULFIDE; EXTRACTION UNEX PROCESS; CESIUM; STRONTIUM; EXCHANGERS;
SOLVENT; URANIUM; SEQUESTRATION
AB The fission of uranium produces radionuclides, Cs-137 and Sr-90, which are major constituents of spent nuclear fuel. The half-life of Cs-137 and Sr-90 is nearly 30 years and thus that makes them harmful to human life and the environment. The selective removal of these radionuclides in the presence of high salt concentrations from industrial nuclear waste is necessary for safe storage. Here we report the synthesis and crystal structure of K2xSn4-xS8-x (x = 0.65-1, KTS-3) a material which exhibits excellent Cs+, Sr2+ and UO22+ ion exchange properties in varying conditions. The compound adopts a layered structure which consists of exchangeable potassium ions sandwiched between infinite layers of octahedral and tetrahedral tin centers. K2xSn4-xS8-x (x = 0.65-1, KTS-3) crystallizes in the monoclinic space group P2(1)/c with cell parameters a = 13.092(3) angstrom, b = 16.882(2) angstrom, c = 7.375(1) angstrom and beta = 98.10(1)degrees. Refinement of the single crystal diffraction data revealed the presence of Sn vacancies in the tetrahedra that are long range ordered. The interlayer potassium ions of KTS-3 can be exchanged for Cs+, Sr2+ and UO22+. KTS-3 exhibits rapid and efficient ion exchange behavior in a broad pH range. The distribution coefficients (K-d) for KTS-3 are high for Cs+ (5.5 x 10(4)), Sr2+ (3.9 x 10(5)) and UO22+ (2.7 x 10(4)) at neutral pH (7.4, 6.9, 5.7 ppm Cs+, Sr2+ and UO22+, respectively; V/m similar to 1000 mL g(-1)). KTS-3 exhibits impressive Cs+, Sr2+ and UO22+ ion exchange properties in high salt concentration and over a broad pH range, which coupled with the low cost, environmentally friendly nature and facile synthesis underscores its potential in treating nuclear waste.
C1 [Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islama, Saiful M.; Kanatzidis, Mercouri G.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.
[Kanatzidis, Mercouri G.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Kanatzidis, MG (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Kanatzidis, MG (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM m-kanatzidis@northwestern.edu
FU National Science Foundation [DMR-1410169]; NEUP grant from the
Department of Energy, Office of Nuclear Energy; NSF-NSEC; NSF-MRSEC;
Keck Foundation; State of Illinois; Northwestern University; U.S.
Department of Energy, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX The materials synthesis and crystallographic characterization in this
work was supported by National Science Foundation grant DMR-1410169. The
ion exchange aspects of this research were supported by a NEUP grant
from the Department of Energy, Office of Nuclear Energy. The work made
use of the facilities available at the Northwestern University
Integrated Molecular Structure Education and Research Center. A
description of the facility and full funding disclosure can be found at
http://www.imserc.facilities.northwestern.edu/. Electron microscopy
imaging (SEM) and XPS were performed at the EPIC facility of the NUANCE
Center at Northwestern University. The NUANCE Center is supported by
NSF-NSEC, NSF-MRSEC, the Keck Foundation, the State of Illinois, and
Northwestern University. C. D. M. was supported by the U.S. Department
of Energy, Office of Basic Energy Sciences under contract no.
DE-AC02-06CH11357.
NR 53
TC 20
Z9 20
U1 23
U2 45
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2016
VL 7
IS 2
BP 1121
EP 1132
DI 10.1039/c5sc03040d
PG 12
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300037
ER
PT J
AU Hrovat, DA
Hou, GL
Chen, B
Wang, XB
Borden, WT
AF Hrovat, David A.
Hou, Gao-Lei
Chen, Bo
Wang, Xue-Bin
Borden, Weston Thatcher
TI Negative ion photoelectron spectroscopy confirms the prediction that
D-3h carbon trioxide (CO3) has a singlet ground state
SO CHEMICAL SCIENCE
LA English
DT Article
ID ELECTRONIC-STRUCTURE; SYMMETRY-BREAKING; PHOTOCHEMICAL-REACTIONS;
POLYATOMIC-MOLECULES; PERTURBATION-THEORY; INFRARED SPECTRUM; LOWEST
SINGLET; TRIPLET; PHOTODISSOCIATION; TRIMETHYLENEMETHANE
AB The CO3 radical anion (CO3 center dot-) has been formed by electrospraying carbonate dianion (CO3 center dot-) into the gas phase. The negative ion photoelectron (NIPE) spectrum of CO3 center dot- shows that, unlike the isoelectronic trimethylenemethane [C(CH2)(3)], D-3h carbon trioxide (CO3) has a singlet ground state. From the NIPE spectrum, the electron affinity of D-3h singlet CO3 was, for the first time, directly determined to be EA = 4.06 +/- 0.03 eV, and the energy difference between the D-3h singlet and the lowest triplet was measured as Delta E-ST = -17.8 +/- 0.9 kcal mol(-1). B3LYP, CCSD(T), and CASPT2 calculations all find that the two lowest triplet states of CO3 are very close in energy, a prediction that is confirmed by the relative intensities of the bands in the NIPE spectrum of CO3 center dot-. The 560 cm(-1) vibrational progression, seen in the low energy region of the triplet band, enables the identification of the lowest, Jahn-Teller-distorted, triplet state as (3)A(1), in which both unpaired electrons reside in sigma MOs, rather than (3)A(2), in which one unpaired electron occupies the b(2) sigma MO, and the other occupies the b(1) pi MO.
C1 [Hrovat, David A.; Chen, Bo; Borden, Weston Thatcher] Univ N Texas, Dept Chem, 1155 Union Circle,305070, Denton, TX 76203 USA.
[Hrovat, David A.; Chen, Bo; Borden, Weston Thatcher] Univ N Texas, Ctr Adv Sci Comp & Modeling, 1155 Union Circle,305070, Denton, TX 76203 USA.
[Hou, Gao-Lei; Wang, Xue-Bin] Pacific NW Natl Lab, Phys Sci Div, POB 999,MS K8-88, Richland, WA 99352 USA.
RP Borden, WT (reprint author), Univ N Texas, Dept Chem, 1155 Union Circle,305070, Denton, TX 76203 USA.; Borden, WT (reprint author), Univ N Texas, Ctr Adv Sci Comp & Modeling, 1155 Union Circle,305070, Denton, TX 76203 USA.; Wang, XB (reprint author), Pacific NW Natl Lab, Phys Sci Div, POB 999,MS K8-88, Richland, WA 99352 USA.
EM xuebin.wang@pnnl.gov; borden@unt.edu
FU Robert A. Welch Foundation [B0027]; U.S. Department of Energy (DOE),
Office of Science, Office of Basic Energy Sciences, Division of Chemical
Sciences, Geosciences and Biosciences; DOE's Office of Biological and
Environmental Research
FX The calculations at UNT were supported by Grant B0027 from the Robert A.
Welch Foundation. The NIPES research at PNNL was supported by the U.S.
Department of Energy (DOE), Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences and Biosciences and
was performed at the EMSL, a national scientific user facility sponsored
by DOE's Office of Biological and Environmental Research and located at
Pacific Northwest National Laboratory, which is a multiprogram national
laboratory operated for DOE by Battelle.
NR 74
TC 1
Z9 1
U1 8
U2 18
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2016
VL 7
IS 2
BP 1142
EP 1150
DI 10.1039/c5sc03542b
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300039
ER
PT J
AU Arias, DH
Ryerson, JL
Cook, JD
Damrauer, NH
Johnson, JC
AF Arias, Dylan H.
Ryerson, Joseph L.
Cook, Jasper D.
Damrauer, Niels H.
Johnson, Justin C.
TI Polymorphism influences singlet fission rates in tetracene thin films
SO CHEMICAL SCIENCE
LA English
DT Article
ID EXCITON-FISSION; CRYSTALLINE TETRACENE; SOLAR-CELL; EFFICIENCY;
PENTACENE; DYNAMICS; DERIVATIVES; MORPHOLOGY; PHOTOVOLTAICS; CONVERSION
AB We report the effect of crystal structure and crystallite grain size on singlet fission (SF) in polycrystalline tetracene, one of the most widely studied SF and organic semiconductor materials. SF has been comprehensively studied in one polymoprh (Tc I), but not in the other, less stable polymorph (Tc II). Using carefully controlled thermal evaporation deposition conditions and high sensitivity ultrafast transient absorption spectroscopy, we found that for large crystallite size samples, SF in nearly pure Tc II films is significantly faster than SF in Tc I films. We also discovered that crystallite size has a minimal impact on the SF rate in Tc II films, but a significant influence in Tc I films. Large crystallites exhibit SF times of 125 ps and 22 ps in Tc I and Tc II, respectively, whereas small crystallites have SF times of 31 ps and 33 ps. Our results demonstrate first, that attention must be paid to polymorphism in obtaining a self-consistent rate picture for SF in tetracene and second, that control of polymorphism can play a significant role towards achieving a mechanistic understanding of SF in polycrystalline systems. In this latter context we show that conventional theory based on non-covalent tetracene couplings is insufficient, thus highlighting the need for models that capture the delocalized and highly mobile nature of excited states in elucidating the full photophysical picture.
C1 [Arias, Dylan H.; Ryerson, Joseph L.; Johnson, Justin C.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Arias, Dylan H.; Ryerson, Joseph L.; Cook, Jasper D.; Damrauer, Niels H.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
RP Johnson, JC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.; Damrauer, NH (reprint author), Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA.
EM Niels.Damrauer@colorado.edu; Justin.Johnson@nrel.gov
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Biosciences, and Geosciences; NREL
[DE-AC36-08GO28308]; [DE-FG02-07ER15890]
FX The authors thank B. Schatschneider for the calculated. cif. le for the
Tc II polymorph. This material is based on work supported by the U.S.
Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Biosciences, and Geosciences. D. H. A., J. L. R. and
J. C. J. acknowledge Contract No. DE-AC36-08GO28308 with NREL and D. H.
A., J. D. C., and N. H. D. acknowledge Contract No. DE-FG02-07ER15890.
NR 56
TC 12
Z9 12
U1 11
U2 48
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2041-6520
EI 2041-6539
J9 CHEM SCI
JI Chem. Sci.
PY 2016
VL 7
IS 2
BP 1185
EP 1191
DI 10.1039/c5sc03535j
PG 7
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB9KR
UT WOS:000368835300043
ER
PT J
AU Kambhampati, A
Payne, DC
Costantini, V
Lopman, BA
AF Kambhampati, Anita
Payne, Daniel C.
Costantini, Veronica
Lopman, Benjamin A.
TI Host Genetic Susceptibility to Enteric Viruses: A Systematic Review and
Metaanalysis
SO CLINICAL INFECTIOUS DISEASES
LA English
DT Review
DE norovirus; rotavirus; FUT2; histo-blood group antigen
ID BLOOD GROUP ANTIGENS; UNITED-STATES; NOROVIRUS; ROTAVIRUS;
GASTROENTERITIS; SECRETOR; CHILDREN; VACCINE; LEWIS; VP8(STAR)
AB Background. Norovirus and rotavirus are prominent enteric viruses responsible for severe acute gastroenteritis disease burden around the world. Both viruses recognize and bind to histo-blood group antigens, which are expressed by the fucosyltransferase 2 (FUT2) gene. Individuals with a functional FUT2 gene are termed "secretors." FUT2 polymorphisms may influence viral binding patterns and, therefore, may influence host susceptibility to infection by these viruses.
Methods. We performed a systematic review of the published literature on this topic. Data were abstracted and compiled for descriptive analyses and metaanalyses. We estimated pooled odds ratios (ORs) for infection using random-effects models.
Results. We found that secretors were 9.9 times (95% confidence interval [ CI], 3.9-24.8) as likely to be infected with genogroup II. 4 noroviruses and 2.2 times as likely to be infected with genogroup II non-4 noroviruses (95% CI, 1.2-4.2) compared with nonsecretors. Secretors were also 26.6 times more susceptible to infections from P[8]-type rotaviruses compared with nonsecretors (95% CI, 8.3-85.0).
Conclusions. Our analyses indicate that host genetic susceptibility to norovirus and rotavirus infection may be strain specific. As strain distribution and the proportion of genetic phenotypes vary in different countries, future studies should focus on differences in susceptibility among various ethnicities. Knowledge of innate susceptibility to rotavirus and norovirus can lead to improved understanding of both vaccine performance and individual risk of disease.
C1 [Kambhampati, Anita; Payne, Daniel C.; Costantini, Veronica; Lopman, Benjamin A.] US Ctr Dis Control & Prevent, Natl Ctr Immunizat & Resp Dis, Div Viral Dis, Atlanta, GA 30329 USA.
[Kambhampati, Anita] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
RP Kambhampati, A (reprint author), Ctr Dis Control & Prevent, 1600 Clifton Rd,NE,MS-A34, Atlanta, GA 30333 USA.
EM wyc4@cdc.gov
FU Intramural CDC HHS [CC999999]
NR 31
TC 12
Z9 12
U1 8
U2 12
PU OXFORD UNIV PRESS INC
PI CARY
PA JOURNALS DEPT, 2001 EVANS RD, CARY, NC 27513 USA
SN 1058-4838
EI 1537-6591
J9 CLIN INFECT DIS
JI Clin. Infect. Dis.
PD JAN 1
PY 2016
VL 62
IS 1
BP 11
EP 18
DI 10.1093/cid/civ873
PG 8
WC Immunology; Infectious Diseases; Microbiology
SC Immunology; Infectious Diseases; Microbiology
GA DB6JO
UT WOS:000368621400002
PM 26508510
ER
PT J
AU Barker, AT
Rees, T
Stoll, M
AF Barker, Andrew T.
Rees, Tyrone
Stoll, Martin
TI A Fast Solver for an H-1 Regularized PDE-Constrained Optimization
Problem
SO COMMUNICATIONS IN COMPUTATIONAL PHYSICS
LA English
DT Article
DE Preconditioning; Krylov methods; PDE-constrained optimization; optimal
control of PDEs
ID NONSYMMETRIC LINEAR-SYSTEMS; SADDLE-POINT PROBLEMS; PRIMAL-DUAL
STRATEGY; INDEFINITE SYSTEMS; STATE CONSTRAINTS; ELLIPTIC PROBLEMS;
NEWTON METHODS; PRECONDITIONERS; APPROXIMATION; ALGORITHM
AB In this paper we consider PDE-constrained optimization problems which incorporate an H-1 regularization control term. We focus on a time-dependent PDE, and consider both distributed and boundary control. The problems we consider include bound constraints on the state, and we use a Moreau-Yosida penalty function to handle this. We propose Krylov solvers and Schur complement preconditioning strategies for the different problems and illustrate their performance with numerical examples.
C1 [Barker, Andrew T.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Mail Stop L-561, Livermore, CA 94551 USA.
[Rees, Tyrone] Rutherford Appleton Lab, Numer Anal Grp, Dept Comp Sci, Didcot OX11 0QX, Oxon, England.
[Stoll, Martin] Max Planck Inst Dynami Complex Tech Syst, Computat Methods Syst & Control Theory, Sandtorstr 1, D-39106 Magdeburg, Germany.
RP Rees, T (reprint author), Rutherford Appleton Lab, Numer Anal Grp, Dept Comp Sci, Didcot OX11 0QX, Oxon, England.
EM barker29@llnl.gov; tyrone.rees@stfc.ac.uk; stollm@mpi-magdeburg.mpg.de
OI Rees, Tyrone/0000-0003-0476-2259
NR 77
TC 0
Z9 0
U1 1
U2 7
PU GLOBAL SCIENCE PRESS
PI WANCHAI
PA ROOM 3208, CENTRAL PLAZA, 18 HARBOUR RD, WANCHAI, HONG KONG 00000,
PEOPLES R CHINA
SN 1815-2406
EI 1991-7120
J9 COMMUN COMPUT PHYS
JI Commun. Comput. Phys.
PD JAN
PY 2016
VL 19
IS 1
BP 143
EP 167
DI 10.4208/cicp.190914.080415a
PG 25
WC Physics, Mathematical
SC Physics
GA DC2ZQ
UT WOS:000369088500006
ER
PT J
AU Brandes, E
McNunn, GS
Schulte, LA
Bonner, IJ
Muth, DJ
Babcock, BA
Sharma, B
Heaton, EA
AF Brandes, E.
McNunn, G. S.
Schulte, L. A.
Bonner, I. J.
Muth, D. J.
Babcock, B. A.
Sharma, B.
Heaton, E. A.
TI Subfield profitability analysis reveals an economic case for cropland
diversification
SO ENVIRONMENTAL RESEARCH LETTERS
LA English
DT Article
DE ecosystem services; spatial analysis; GIS; precision conservation;
agricultural diversification; landscape; maize
ID AGRICULTURAL LANDSCAPES; ENVIRONMENTAL-QUALITY; ECOSYSTEM SERVICES;
MISSISSIPPI RIVER; RACCOON RIVER; CONSERVATION; IOWA; WATER; FIELD;
VARIABILITY
AB Public agencies and private enterprises increasingly desire to achieve ecosystem service outcomes in agricultural systems, but are limited by perceived conflicts between economic and ecosystem service goals and a lack of tools enabling effective operational management. Here we use Iowa-an agriculturally homogeneous state representative of the Maize Belt-to demonstrate an economic rationale for cropland diversification at the subfield scale. We used a novel computational framework that integrates disparate but publicly available data to map similar to 3.3 million unique potential management polygons (9.3 Mha) and reveal subfield opportunities to increase overall field profitability. We analyzed subfield profitability for maize/soybean fields during 2010-2013-four of the most profitable years in recent history-and projected results for 2015. While cropland operating at a loss of US$ 250 ha(-1) or more was negligible between 2010 and 2013 at 18 000-190 000 ha (<2% of row-crop land), the extent of highly unprofitable land increased to 2.5 Mha, or 27% of row-crop land, in the 2015 projection. Aggregation of these areas to the township level revealed 'hotspots' for potential management change in Western, Central, and Northeast Iowa. In these least profitable areas, incorporating conservation management that breaks even (e.g., planting low-input perennials), into low-yielding portions of fields could increase overall cropland profitability by 80%. This approach is applicable to the broader region and differs substantially from the status quo of 'top-down' land management for conservation by harnessing private interest to align profitability with the production of ecosystem services.
C1 [Brandes, E.; McNunn, G. S.; Sharma, B.; Heaton, E. A.] Iowa State Univ, Dept Agron, Ames, IA 50011 USA.
[McNunn, G. S.; Muth, D. J.] AgSolver Inc, 2701 Kent Ave,Suite 130, Ames, IA 50010 USA.
[Schulte, L. A.] Iowa State Univ, Dept Nat Resource Ecol & Management, Ames, IA 50011 USA.
[Bonner, I. J.] US DOE, Idaho Natl Lab, Dept Biofuels & Renewable Energy Technol, POB 1625, Idaho Falls, ID 83415 USA.
[Babcock, B. A.] Iowa State Univ, Dept Econ, Ames, IA 50011 USA.
[Bonner, I. J.] Monsanto Co, 21120 Hwy 30, Filer, ID 83328 USA.
RP Heaton, EA (reprint author), Iowa State Univ, Dept Agron, Ames, IA 50011 USA.
EM heaton@iastate.edu
FU Iowa State University Department of Agronomy Anonymous Endowment; USDA
National Institute of Food and Agriculture, Hatch project [221195]
FX The authors thank Alejandro Plastina and John Sawyer for their helpful
guidance on crop production specifics, John Lawrence for his expert
opinion on the economic soundness of the work, and Kara Cafferty for her
valuable input on the analysis. The authors also thank Joshua Koch and
Doug McCorkle for their support on modelling the yield data set, Daryl
Hertzman for creating the interactive online map, and Fernando Miguez
for the generous provision of personnel resources. Dr Bhavna Sharma's
specific contribution was limited to the subfield visualization maps
(figure 2 and online). Therefore, she is not responsible for the full
manuscript. This project was funded by the Iowa State University
Department of Agronomy Anonymous Endowment and the USDA National
Institute of Food and Agriculture, Hatch project 221195.
NR 51
TC 4
Z9 4
U1 3
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1748-9326
J9 ENVIRON RES LETT
JI Environ. Res. Lett.
PD JAN
PY 2016
VL 11
IS 1
AR 014009
DI 10.1088/1748-9326/11/1/014009
PG 13
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA DB8YT
UT WOS:000368803800012
ER
PT J
AU Lee, A
Elam, JW
Darling, SB
AF Lee, Anna
Elam, Jeffrey W.
Darling, Seth B.
TI Membrane materials for water purification: design, development, and
application
SO ENVIRONMENTAL SCIENCE-WATER RESEARCH & TECHNOLOGY
LA English
DT Review
ID ATOMIC-FORCE MICROSCOPY; GRAPHENE OXIDE MEMBRANES; HOLLOW-FIBER
MEMBRANES; MOLECULAR-DYNAMICS SIMULATIONS; FILM COMPOSITE MEMBRANE;
LOW-TEMPERATURE PLASMA; POLYETHERSULFONE NANOFILTRATION MEMBRANES;
FOULING-RESISTANT MEMBRANES; ENHANCED RAMAN-SPECTROSCOPY; CARBON
NANOTUBE MEMBRANES
AB Water purification for human use, ecosystem management, agriculture, and industry is emerging as a leading global priority. Access to sufficient clean water ultimately requires improvements over the current state of water filtration technology. Membrane technologies for water purification have been actively pursued for decades, but with recent innovation of both analytical and fabrication tools, more advanced membrane technologies are surfacing. Here, we review the design, development, and application of new membrane materials, fabrication methods for controlling the filtration size regime, analytical tools for performance testing, and molecular modeling for transport and separation. Membrane chemical stability, fouling, and environmental impact as open questions are also presented.
C1 [Lee, Anna; Darling, Seth B.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Elam, Jeffrey W.] Argonne Natl Lab, Div Energy Syst, 9700 South Cass Ave, Lemont, IL 60439 USA.
[Darling, Seth B.] Univ Chicago, Inst Mol Engn, 5801 South Ellis Ave, Chicago, IL 60637 USA.
RP Lee, A (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Lemont, IL 60439 USA.
EM leea@anl.gov; darling@anl.gov
NR 284
TC 22
Z9 22
U1 84
U2 227
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2053-1400
EI 2053-1419
J9 ENVIRON SCI-WAT RES
JI Environ. Sci.-Wat. Res. Technol.
PY 2016
VL 2
IS 1
BP 17
EP 42
DI 10.1039/c5ew00159e
PG 26
WC Engineering, Environmental; Environmental Sciences; Water Resources
SC Engineering; Environmental Sciences & Ecology; Water Resources
GA DB9TM
UT WOS:000368859800003
ER
PT J
AU Mekasha, S
Forsberg, Z
Dalhus, B
Bacik, JP
Choudhary, S
Schmidt-Dannert, C
Vaaje-Kolstad, G
Eijsink, VGH
AF Mekasha, Sophanit
Forsberg, Zarah
Dalhus, Bjorn
Bacik, John-Paul
Choudhary, Swati
Schmidt-Dannert, Claudia
Vaaje-Kolstad, Gustav
Eijsink, Vincent G. H.
TI Structural and functional characterization of a small chitin-active
lytic polysaccharide monooxygenase domain of a multi-modular chitinase
from Jonesia denitrificans
SO FEBS LETTERS
LA English
DT Article
DE AA10; chitin; chitinase; Jonesia denitrificans; lytic polysaccharide
monooxygenase
ID MACROMOLECULAR CRYSTALLOGRAPHY; BETA-CHITIN; CELLULOSE; PROTEIN;
DEGRADATION; FUNGAL; ENZYME; STREPTOMYCES; RESOLUTION; ALIGNMENT
AB Lytic polysaccharide monooxygenases (LPMOs) boost enzymatic depolymerization of recalcitrant polysaccharides, such as chitin and cellulose. We have studied a chitin-active LPMO domain (JdLPMO10A) that is considerably smaller (15.5 kDa) than all structurally characterized LPMOs so far and that is part of a modular protein containing a GH18 chitinase. The 1.55 angstrom resolution structure revealed deletions of interacting loops that protrude from the core -sandwich scaffold in larger LPMO10s. Despite these deletions, the enzyme is active on alpha- and beta-chitin, and the chitin-binding surface previously described for larger LPMOs is fully conserved. JdLPMO10A may represent a minimal scaffold needed to catalyse the powerful LPMO reaction.
C1 [Mekasha, Sophanit; Forsberg, Zarah; Vaaje-Kolstad, Gustav; Eijsink, Vincent G. H.] Norwegian Univ Life Sci, Dept Chem Biotechnol & Food Sci, N-1432 As, Norway.
[Dalhus, Bjorn] Univ Oslo, Inst Clin Med, Dept Med Biochem, N-0316 Oslo, Norway.
[Dalhus, Bjorn] Oslo Univ Hosp, Rikshosp, Dept Microbiol, Clin Diagnost & Intervent, Oslo, Norway.
[Bacik, John-Paul] Los Alamos Natl Lab, Biosci Div, Prot Crystallog Stn, Los Alamos, NM USA.
[Choudhary, Swati; Schmidt-Dannert, Claudia] Univ Minnesota, Dept Biochem Mol Biol & Biophys, St Paul, MN 55108 USA.
RP Eijsink, VGH (reprint author), Norwegian Univ Life Sci, Dept Chem Biotechnol & Food Sci, N-1432 As, Norway.
EM vincent.eijsink@nmbu.no
FU Research Council of Norway [214138, 221576]; Vista programme of
Norwegian Academy of Science and Letters [6510]; South-Eastern Norway
Regional Health Authority [2012085, 2015095]; [MX-1468]
FX This work was supported by The Research Council of Norway through grants
214138 & 221576 and by the Vista programme of the Norwegian Academy of
Science and Letters (grant 6510). We are grateful for synchrotron travel
support from The Research Council of Norway (216625/F50) and support
from the South-Eastern Norway Regional Health Authority (Grants No.
2012085 and 2015095; Regional Core Facility for Structural Biology to
BD). We also thank the European Synchrotron Radiation Facility staff for
help and beamtime at beamline ID29 (project MX-1468).
NR 37
TC 2
Z9 2
U1 9
U2 32
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0014-5793
EI 1873-3468
J9 FEBS LETT
JI FEBS Lett.
PD JAN
PY 2016
VL 590
IS 1
BP 34
EP 42
DI 10.1002/1873-3468.12025
PG 9
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA DB9AS
UT WOS:000368808900004
PM 26763108
ER
PT J
AU Scott, SN
Dodd, AB
Larsen, ME
Suo-Anttila, JM
Erickson, KL
AF Scott, Sarah N.
Dodd, Amanda B.
Larsen, Marvin E.
Suo-Anttila, Jill M.
Erickson, Ken L.
TI Validation of Heat Transfer, Thermal Decomposition, and Container
Pressurization of Polyurethane Foam Using Mean Value and Latin Hypercube
Sampling Approaches
SO FIRE TECHNOLOGY
LA English
DT Article
DE Uncertainty quantification; Validation; Pyrolysis; Heat transfer;
Polyurethane foam; Mean value method; Latin hypercube sampling
ID SENSITIVITY; UNCERTAINTY
AB Polymer foam encapsulants provide mechanical, electrical, and thermal isolation in engineered systems. It can be advantageous to surround objects of interest, such as electronics, with foams in a hermetically sealed container in order to protect them from hostile environments or from accidents such as fire. In fire environments, gas pressure from thermal decomposition of foams can cause mechanical failure of sealed systems. In this work, a detailed uncertainty quantification study of polymeric methylene diisocyanate (PMDI)-polyether-polyol based polyurethane foam is presented and compared to experimental results to assess the validity of a 3-D finite element model of the heat transfer and degradation processes. In this series of experiments, 320 kg/m(3) PMDI foam in a 0.2 L sealed steel container is heated to 1,073 K at a rate of 150 K/min. The experiment ends when the can breaches due to the buildup of pressure. The temperature at key location is monitored as well as the internal pressure of the can. Both experimental uncertainty and computational uncertainty are examined and compared. The mean value method (MV) and Latin hypercube sampling (LHS) approach are used to propagate the uncertainty through the model. The results of the both the MV method and the LHS approach show that while the model generally can predict the temperature at given locations in the system, it is less successful at predicting the pressure response. Also, these two approaches for propagating uncertainty agree with each other, the importance of each input parameter on the simulation results is also investigated, showing that for the temperature response the conductivity of the steel container and the effective conductivity of the foam, are the most important parameters. For the pressure response, the activation energy, effective conductivity, and specific heat are most important. The comparison to experiments and the identification of the drivers of uncertainty allow for targeted development of the computational model and for definition of the experiments necessary to improve accuracy.
C1 [Scott, Sarah N.; Dodd, Amanda B.; Larsen, Marvin E.; Suo-Anttila, Jill M.; Erickson, Ken L.] Sandia Natl Labs, POB 969,MS 9042, Livermore, CA 94551 USA.
RP Scott, SN (reprint author), Sandia Natl Labs, POB 969,MS 9042, Livermore, CA 94551 USA.
EM snscott@sandia.gov
FU United States Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]
FX The authors would like to thank Patty Hough, Tim Koehler, and Roy Hogan
for reviewing this paper. 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. This is document SAND2014-16560J.
NR 30
TC 1
Z9 1
U1 1
U2 4
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0015-2684
EI 1572-8099
J9 FIRE TECHNOL
JI Fire Technol.
PD JAN
PY 2016
VL 52
IS 1
SI SI
BP 121
EP 147
DI 10.1007/s10694-014-0448-8
PG 27
WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA DB7RW
UT WOS:000368714700007
ER
PT J
AU Hoffman, CM
Ziegler, J
Canfield, J
Linn, RR
Mell, W
Sieg, CH
Pimont, F
AF Hoffman, C. M.
Ziegler, J.
Canfield, J.
Linn, R. R.
Mell, W.
Sieg, C. H.
Pimont, F.
TI Evaluating Crown Fire Rate of Spread Predictions from Physics-Based
Models
SO FIRE TECHNOLOGY
LA English
DT Article
DE Physics-based model; Fire behavior; HIGRAD/FIRETEC; Wildland Urban
Interface Fire Dynamics Simulator; WFDS
ID LARGE-EDDY SIMULATION; LODGEPOLE PINE FORESTS; WIND-FLOWS; JACK PINE;
FUEL BEDS; BEHAVIOR; PROPAGATION; CANOPY; VALIDATION; ATMOSPHERE
AB Modeling the behavior of crown fires is challenging due to the complex set of coupled processes that drive the characteristics of a spreading wildfire and the large range of spatial and temporal scales over which these processes occur. Detailed physics-based modeling approaches such as FIRETEC and the Wildland Urban Interface Fire Dynamics Simulator (WFDS) simulate fire behavior using computational fluid dynamics based methods to numerically solve the three-dimensional, time dependent, model equations that govern, to some approximation, the component physical processes and their interactions that drive fire behavior. Both of these models have had limited evaluation and have not been assessed for predicting crown fire behavior. In this paper, we utilized a published set of field-scale measured crown fire rate of spread (ROS) data to provide a coarse assessment of crown fire ROS predictions from previously published studies that have utilized WFDS or FIRETEC. Overall, 86% of all simulated ROS values using WFDS or FIRETEC fell within the 95% prediction interval of the empirical data, which was above the goal of 75% for dynamic ecological modeling. However, scarcity of available empirical data is a bottleneck for further assessment of model performance.
C1 [Hoffman, C. M.; Ziegler, J.] Colorado State Univ, Ft Collins, CO 80523 USA.
[Canfield, J.; Linn, R. R.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Mell, W.] USDA Forest Serv, Pacific Wildland Fire Sci Lab, Seattle, WA USA.
[Sieg, C. H.] USDA Forest Serv, Rocky Mt Res Stn, Flagstaff, AZ USA.
[Pimont, F.] INRA, Ecol Forets Mediterraneennes, UR629, Avignon, France.
[Hoffman, C. M.] Dept Forest & Rangeland Stewardship, 1472 Campus Delivery, Ft Collins, CO 80523 USA.
RP Hoffman, CM (reprint author), Dept Forest & Rangeland Stewardship, 1472 Campus Delivery, Ft Collins, CO 80523 USA.
EM c.hoffman@colostate.edu
OI Hoffman, Chad/0000-0001-8715-937X
FU Joint Fire Science Program [13-1-04-53]; USDA Forest Service Pacific
Northwest Research Station; General Joint Venture [PNW
12-JV-11261987-102]
FX This research was supported in part by Joint Fire Science Program
project 13-1-04-53, USDA Forest Service Pacific Northwest Research
Station, General Joint Venture Agreement No. PNW 12-JV-11261987-102,
USDA Forest Service Research (both Rocky Mountain Research Station and
Washington office) National Fire Plan Dollars through Research Joint
Venture Agreement 11-JV-11221633-207 with Colorado State University, and
Interagency Agreements 09-IA-11221633-215 and 13-IA-11221633-103 with
Los Alamos National Laboratory.
NR 76
TC 5
Z9 6
U1 6
U2 20
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0015-2684
EI 1572-8099
J9 FIRE TECHNOL
JI Fire Technol.
PD JAN
PY 2016
VL 52
IS 1
SI SI
BP 221
EP 237
DI 10.1007/s10694-015-0500-3
PG 17
WC Engineering, Multidisciplinary; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA DB7RW
UT WOS:000368714700011
ER
PT J
AU Papineau, D
De Gregorio, B
Fearn, S
Kilcoyne, D
McMahon, G
Purohit, R
Fogel, M
AF Papineau, D.
De Gregorio, B.
Fearn, S.
Kilcoyne, D.
McMahon, G.
Purohit, R.
Fogel, M.
TI Nanoscale petrographic and geochemical insights on the origin of the
Palaeoproterozoic stromatolitic phosphorites from Aravalli Supergroup,
India
SO GEOBIOLOGY
LA English
DT Article
ID NEW-AGE CONSTRAINTS; TRANSMISSION X-RAY; PROTEROZOIC CYANOBACTERIAL
BLOOMS; AUSTRALIAN CONTINENTAL-MARGIN; NITROGEN ISOTOPE COMPOSITION;
ELECTRON-IRRADIATION DAMAGE; EDIACARAN ANIMAL EMBRYOS; ION
MASS-SPECTROMETRY; K-EDGE XANES; ORGANIC-MATTER
AB Stromatolites composed of apatite occur in post-Lomagundi-Jatuli successions (late Palaeoproterozoic) and suggest the emergence of novel types of biomineralization at that time. The microscopic and nanoscopic petrology of organic matter in stromatolitic phosphorites might provide insights into the suite of diagenetic processes that formed these types of stromatolites. Correlated geochemical micro-analyses of the organic matter could also yield molecular, elemental and isotopic compositions and thus insights into the role of specific micro-organisms among these communities. Here, we report on the occurrence of nanoscopic disseminated organic matter in the Palaeoproterozoic stromatolitic phosphorite from the Aravalli Supergroup of north-west India. Organic petrography by micro-Raman and Transmission Electron Microscopy demonstrates syngeneity of the organic matter. Total organic carbon contents of these stromatolitic phosphorite columns are between 0.05 and 3.0 wt% and have a large range of C-13(org) values with an average of -18.5 parts per thousand (1 sigma=4.5 parts per thousand). N-15 values of decarbonated rock powders are between -1.2 and +2.7 parts per thousand. These isotopic compositions point to the important role of biological N-2-fixation and CO2-fixation by the pentose phosphate pathway consistent with a population of cyanobacteria. Microscopic spheroidal grains of apatite (MSGA) occur in association with calcite microspar in microbial mats from stromatolite columns and with chert in the core of diagenetic apatite rosettes. Organic matter extracted from the stromatolitic phosphorites contains a range of molecular functional group (e.g. carboxylic acid, alcohol, and aliphatic hydrocarbons) as well as nitrile and nitro groups as determined from C- and N-XANES spectra. The presence of organic nitrogen was independently confirmed by a CN- peak detected by ToF-SIMS. Nanoscale petrography and geochemistry allow for a refinement of the formation model for the accretion and phototrophic growth of stromatolites. The original microbial biomass is inferred to have been dominated by cyanobacteria, which might be an important contributor of organic matter in shallow-marine phosphorites.
C1 [Papineau, D.] UCL, London Ctr Nanotechnol, London, England.
[Papineau, D.] UCL, Dept Earth Sci, London, England.
[De Gregorio, B.] Naval Res Lab, Mat Sci & Technol Div, Washington, DC 20375 USA.
[Fearn, S.] Univ London Imperial Coll Sci Technol & Med, Dept Mat Sci, London, England.
[Kilcoyne, D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[McMahon, G.] Univ Manchester, Sch Mat, Manchester, Lancs, England.
[Purohit, R.] Govt Coll Sirohi, Dept Geol, Sirohi, Rajasthan, India.
[Fogel, M.] Univ Calif Merced, Merced, CA USA.
RP Papineau, D (reprint author), UCL, London Ctr Nanotechnol, London, England.; Papineau, D (reprint author), UCL, Dept Earth Sci, London, England.
EM d.papineau@ucl.ac.uk
RI De Gregorio, Bradley/B-8465-2008; Kilcoyne, David/I-1465-2013
OI De Gregorio, Bradley/0000-0001-9096-3545;
FU University College London; Carnegie Institution of Washington; Carnegie
of Canada; WM Keck Foundation; NASA Astrobiology Institute [NNA04CC09A];
NASA Early Career Fellowship [NNX12AG14G]; NASA Exobiology and
Evolutionary Biology Program [NX08AO16G]; Boston College; Office of
Science, Office of Basic Energy Sciences of the US Department of Energy
[DE-AC02-05CH11231]
FX We acknowledge financial support for this work from the University
College London, Carnegie Institution of Washington, Carnegie of Canada,
WM Keck Foundation, NASA Astrobiology Institute (grant #NNA04CC09A),
NASA Early Career Fellowship (grant #NNX12AG14G), NASA Exobiology and
Evolutionary Biology Program (grant #NNX08AO16G), and Boston College. We
gratefully acknowledge the constructive review of three reviewers. STXM
data was acquired at the Advanced Light Source, which is supported by
the Director, Office of Science, Office of Basic Energy Sciences of the
US Department of Energy (under contract #DE-AC02-05CH11231).
NR 126
TC 3
Z9 3
U1 9
U2 19
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1472-4677
EI 1472-4669
J9 GEOBIOLOGY
JI Geobiology
PD JAN
PY 2016
VL 14
IS 1
BP 3
EP 32
DI 10.1111/gbi.12164
PG 30
WC Biology; Environmental Sciences; Geosciences, Multidisciplinary
SC Life Sciences & Biomedicine - Other Topics; Environmental Sciences &
Ecology; Geology
GA DC2ZW
UT WOS:000369089500001
PM 26490161
ER
PT J
AU Paret, PP
DeVoto, DJ
Narumanchi, S
AF Paret, Paul P.
DeVoto, Douglas J.
Narumanchi, Sreekant
TI Reliability of Emerging Bonded Interface Materials for Large-Area
Attachments
SO IEEE TRANSACTIONS ON COMPONENTS PACKAGING AND MANUFACTURING TECHNOLOGY
LA English
DT Article
DE Bonded interface; cycles-to-failure; finite-element method (FEM)
modeling; lead solder; predictive lifetime; sintered silver;
thermoplastic
ID FATIGUE LIFE PREDICTION; SOLDER JOINTS; CHIP SCALE; PACKAGES; MODELS;
TEMPERATURE; SIMULATION; SNAGCU; CREEP
AB Conventional thermal interface materials (TIMs), such as greases, gels, and phase change materials, pose bottlenecks to heat removal and have long caused reliability issues in automotive power electronics packages. Bonded interface materials (BIMs) with superior thermal performance have the potential to be a replacement to the conventional TIMs. However, due to coefficient of thermal expansion mismatches between different components in a package and resultant thermomechanical stresses, fractures or delamination could occur, causing serious reliability concerns. These defects manifest themselves in increased thermal resistance in the package. In this paper, the results of reliability evaluation of emerging BIMs for large-area attachments in power electronics packaging are reported. Thermoplastic (polyamide) adhesive with embedded near-vertical-aligned carbon fibers, sintered silver, and conventional lead solder (Sn63Pb37) materials were bonded between 50.8 mm x 50.8 mm cross-sectional footprint silicon nitride substrates and copper base plate samples, and were subjected to accelerated thermal cycling until failure or 2500 cycles. Damage in the BIMs was monitored every 100 cycles by scanning acoustic microscopy. Thermoplastic with embedded carbon fibers performed the best with no defects, whereas sintered silver and lead solder failed at 2300 and 1400 thermal cycles, respectively. Besides thermal cycling, additional lead solder samples were subjected to thermal shock and thermal cycling with extended dwell periods. A finite element method (FEM)-based model was developed to simulate the behavior of lead solder under thermomechanical loading. Strain energy density per cycle results were calculated from the FEM simulations. A predictive lifetime model was formulated for lead solder by correlating strain energy density results extracted from modeling with cycles-to-failure obtained from experimental accelerated tests. A power-law-based approach was used to formulate the predictive lifetime model.
C1 [Paret, Paul P.; DeVoto, Douglas J.; Narumanchi, Sreekant] Natl Renewable Energy Lab, Transportat & Hydrogen Syst Ctr, Golden, CO 80401 USA.
RP Paret, PP (reprint author), Natl Renewable Energy Lab, Transportat & Hydrogen Syst Ctr, Golden, CO 80401 USA.
EM paul.paret@nrel.gov; douglas.devoto@nrel.gov;
sreekant.narumanchi@nrel.gov
FU Vehicle Technologies Office, U.S. Department of Energy Office of Energy
Efficiency and Renewable Energy (EERE); U.S. Department of Energy
[DE-AC36-08GO28308]; NREL
FX The authors acknowledge financial support for the work provided by Susan
Rogers and Steven Boyd, Technology Development Managers for the Electric
Drive Technologies Program, Vehicle Technologies Office, U.S. Department
of Energy Office of Energy Efficiency and Renewable Energy (EERE).
National Renewable Energy Laboratory (NREL) is a national laboratory of
the U.S. Department of Energy, Office of EERE, operated by the Alliance
for Sustainable Energy, Limited Liability Company. This work was
supported by the U.S. Department of Energy under Contract No.
DE-AC36-08GO28308 with NREL. Recommended for publication by Associate
Editor C. Basaran upon evaluation of reviewers' comments.
NR 31
TC 0
Z9 0
U1 11
U2 16
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3950
EI 2156-3985
J9 IEEE T COMP PACK MAN
JI IEEE Trans. Compon. Pack. Manuf. Technol.
PD JAN
PY 2016
VL 6
IS 1
BP 40
EP 49
DI 10.1109/TCPMT.2015.2499767
PG 10
WC Engineering, Manufacturing; Engineering, Electrical & Electronic;
Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA DC0ZM
UT WOS:000368946600005
ER
PT J
AU Li, ZW
Chen, SAG
Hopkinson, D
Luebke, D
AF Li, Zhiwei
Chen, Shiaoguo
Hopkinson, David
Luebke, David
TI Verification of a solvent optimization approach for postcombustion CO2
capture using commercial alkanolamines
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 capture; Solvent optimization; Approach verification; Alkanolamine;
Postcombustion flue gas; Conventional absorption/desorption process
ID AQUEOUS MONOETHANOLAMINE; CONFIGURATIONS; PERFORMANCE; PLANTS
AB This paper verified a phase equilibrium approach for optimization of conceptual solvents by using process simulations of commercial solvents N-methyl-diethanolamine (MDEA) and 2-amino-2-methyl-1-propanol (AMP) aqueous solution, for a conventional absorption/desorption based postcombustion CO2 capture process. The simulated total heat/total equivalent work for the investigated tertiary/hindered amines has the same trends as those bated on the phase equilibrium approach for conceptual solvents with the same heat of reactions. Moreover, the simulated CO2 working capacities for the commercial solvents agree well with those obtained with the phase equilibrium approach for the corresponding conceptual solvents, verifying the phase equilibrium approach. Results of parametric tests using the AMP aqueous solution illustrate that there is an optimal lean loading for the lean solution and an optimal temperature for the stripper inlet solvent to achieve the least total equivalent work/total heat. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Li, Zhiwei; Chen, Shiaoguo] Carbon Capture Sci LLC, 4000 Brownsville Rd,POB 188, South Pk, PA 15129 USA.
[Hopkinson, David; Luebke, David] Natl Energy Technol Lab, 626 Cochrans Mill Rd,POB 10940, Pittsburgh, PA 15236 USA.
[Luebke, David] Liquid Ion Solut, 1817 Parkview Blvd, Pittsburgh, PA 15217 USA.
RP Li, ZW (reprint author), Carbon Capture Sci LLC, 4000 Brownsville Rd,POB 188, South Pk, PA 15129 USA.
EM zhiweili@carboncapturescientific.com
FU National Energy Technology Laboratory's Regional University Alliance
(NETL-RUA), a collaborative initiative of the NETL [DE-FE0004000]
FX As part of the National Energy Technology Laboratory's Regional
University Alliance (NETL-RUA), a collaborative initiative of the NETL,
this technical effort was performed under the RES contract DE-FE0004000.
NR 15
TC 1
Z9 1
U1 1
U2 10
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 59
EP 65
DI 10.1016/j.ijggc.2015.11.002
PG 7
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500006
ER
PT J
AU Ilgen, AG
Cygan, RT
AF Ilgen, A. G.
Cygan, R. T.
TI Mineral dissolution and precipitation during CO2 injection at the Frio-I
Brine Pilot: Geochemical modeling and uncertainty analysis
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 geologic storage; Saline aquifers; Mineral trapping; Dissolution;
Pyrite; Calcite
ID PYRITE DISSOLUTION; ACIDIC MEDIA; SOLUBILITY; WATER; FELDSPAR; STORAGE;
CARBON; RATES
AB During the Frio-I Brine Pilot CO2 injection experiment in 2004, distinct geochemical changes in response to the injection of 1600 tons of CO2 were recorded in brine samples collected from the monitoring well. Previous geochemical modeling studies have considered dissolution of calcite and iron oxyhydroxides, or release of adsorbed iron, as the most likely sources of the increased ion concentrations. In this modeling study we explore possible alternative sources of the increasing calcium and iron, based on the data from the detailed petrographic characterization of the Upper Frio Formation "C". Particularly, we evaluate whether dissolution of pyrite and oligoclase (anorthite component) can account for the observed geochemical changes. Due to kinetic limitations, dissolution of pyrite and anorthite cannot account for the increased iron and calcium concentrations on the time scale of the field test (10 days). However, dissolution of these minerals is contributing to carbonate and clay mineral precipitation on the longer time scales (1000 years). We estimated that during the field test dissolution of calcite and iron oxide resulted in similar to 0.02 wt.% loss of the reservoir rock mass. The reactive transport models were constructed for 25 and 59 degrees C temperature and using Pitzer and B-dot activity correction methods. These models predict carbonate minerals, dolomite and ankerite, as well as clay minerals kaolinite, nontronite and montmorillonite, will precipitate in the Frio Formation "C" sandstone as the system progresses toward chemical equilibrium during a 1000-year period. Cumulative uncertainties associated with using different thermodynamic databases, activity correction models (Pitzer vs. B-dot), and extrapolating to reservoir temperature, are manifested in the difference in the predicted mineral phases. However, these models are consistent with regards to the total volume of mineral precipitation and porosity values which are predicted to within 0.002%. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Ilgen, A. G.; Cygan, R. T.] Sandia Natl Labs, Dept Geochem, POB 5800 MS-0754, Albuquerque, NM 87185 USA.
RP Ilgen, AG (reprint author), Sandia Natl Labs, Dept Geochem, POB 5800 MS-0754, Albuquerque, NM 87185 USA.
EM agilgen@sandia.gov
FU Center for Frontiers in Subsurface Energy Security, an Energy Frontier
Research Center - U.S. Department of Energy, Office of Science, Basic
Energy Sciences [DE-SC0001114]; U.S. Department of Energy's National
Nuclear Security Administration [DE-AC04-94AL85000]
FX The authors acknowledge Susan Hovorka and Yousif Kharaka for the
geochemical data from the Frio-I brine experiment, Carlos Jove-Colon for
consultations with regards to the thermodynamic database, Katherine
Klise for converting the Pitzer database into GWB format, and Mona
Aragon for editing graphical abstract. This work was supported as part
of the Center for Frontiers in Subsurface Energy Security, an Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Science, Basic Energy Sciences under Award # DE-SC0001114. 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.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 166
EP 174
DI 10.1016/j.ijggc.2015.11.022
PG 9
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500016
ER
PT J
AU Li, MX
Ricard, LP
Underschultz, J
Freifeld, BM
AF Li, Melody X.
Ricard, Ludovic P.
Underschultz, James
Freifeld, Barry M.
TI Reducing operational costs of CO2 sequestration through geothermal
energy integration
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Australia; Carbon storage; CCS flagship; Geothermal direct use; Energy
integration; Electricity; Pressure management
ID CARBON-DIOXIDE SEQUESTRATION; RESERVOIR CONDITIONS; WESTERN-AUSTRALIA;
WORKING FLUID; PERTH BASIN; PROJECT; SYSTEMS; STORAGE; HEAT;
EXPLOITATION
AB Commercial scale Geological Carbon Storage (GCS) projects have high capital costs and energy penalties that could be partially offset by including the production of geothermal energy. An important requirement is to match the geothermal resources available at GCS sites with local market opportunities. This paper examines the key parameters that determine viable economics for various hybrid GCS-Geothermal energy applications with a focus on Australian GCS flagship sites as case study examples linked with the initial observations from a pilot trial at the SECARB Cranfield CO2 demonstration project in Cranfield, Mississippi, USA. At first approximation, offshore GCS-Geothermal coupling seems unlikely due to well costs and the additional engineering requirements. The Perth Basin provides the best opportunity for GCS-Geothermal direct use for desalination. Whilst none of the case study examples would be ideally suited for GCS-Geothermal, insights gained are used to speculate on what conditions would be required for an economically viable opportunity. A strong enabling economic driver is when a GCS project already includes pressure relief water production as part of its base case. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Li, Melody X.] ANLEC R&D, Canberra, ACT 2600, Australia.
[Ricard, Ludovic P.] CSIRO Energy, 26 Dick Perry Ave, Kensington, WA 6151, Australia.
[Underschultz, James] Univ Queensland, Brisbane, Qld 4072, Australia.
[Freifeld, Barry M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Li, MX (reprint author), ANLEC R&D, Canberra, ACT 2600, Australia.
EM melody.xiuhuili@anlecrd.com.au
RI Freifeld, Barry/F-3173-2010; Underschultz, Jim/N-1496-2013
OI Underschultz, Jim/0000-0003-2151-1478
FU Australian National Low Emissions Coal Research and Development (ANLEC
RD); Australian Coal Association Low Emissions Technology Limited;
Australian Government through the Clean Energy Initiative; Assistant
Secretary for Energy Efficiency and Renewable Energy, Geothermal
Technologies Programme of the U.S. Department of Energy
[DE-AC0205CH11231]
FX The authors wish to acknowledge financial assistance provided through
Australian National Low Emissions Coal Research and Development (ANLEC
R&D). ANLEC R&D is supported by Australian Coal Association Low
Emissions Technology Limited and the Australian Government through the
Clean Energy Initiative.; Funding for Lawrence Berkeley National Lab and
the SECARB Cranfield research has been provided by the Assistant
Secretary for Energy Efficiency and Renewable Energy, Geothermal
Technologies Programme of the U.S. Department of Energy under Contract
No. DE-AC0205CH11231.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 238
EP 248
DI 10.1016/j.ijggc.2015.11.012
PG 11
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500022
ER
PT J
AU Huerta, NJ
Hesse, MA
Bryant, SL
Strazisar, BR
Lopano, C
AF Huerta, Nicolas J.
Hesse, Marc A.
Bryant, Steven L.
Strazisar, Brian R.
Lopano, Christina
TI Reactive transport of CO2-saturated water in a cement fracture:
Application to wellbore leakage during geologic CO2 storage
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Cement; Wellbore integrity; Reactive transport; Leakage; Fracture
ID CO2-RICH BRINE; IMPROVED MODEL; SEQUESTRATION CONDITIONS; CARBONATED
BRINE; PRECIPITATION; DISSOLUTION; SOLUBILITY; INTERFACES; MECHANISMS;
SEAWATER
AB Time dependence of fluid flux up a leaky well has significant implications for the feasibility of geologic CO2 storage. We present laboratory experiments that study various boundary conditions, fluid fluxes, and residence times to understand the range of behavior in fractured cement cores. Carbonic acid progressively reacts with cement by dissolving phases which neutralize the acid and liberate calcium ions. This dissolution does not increase the aperture of the fracture, due to the formation of an amorphous silicate residue. Where aqueous calcium concentration and pH are sufficiently high calcium carbonates become insoluble and precipitate in the open fracture. When the driving force for fluid flux is a constant pressure differential precipitation leads to a progressive reduction in fluid flux and the development of self-limiting behavior. With sufficient residence time precipitation leads to sealing of the leaky well. Published by Elsevier Ltd.
C1 [Huerta, Nicolas J.; Lopano, Christina] US DOE, Natl Energy Technol Lab, Washington, DC USA.
[Hesse, Marc A.] Univ Texas Austin, Jackson Sch Geosci, Austin, TX 78712 USA.
[Bryant, Steven L.] Univ Calgary, Dept Chem & Petr Engn, Calgary, AB T2N 1N4, Canada.
[Strazisar, Brian R.] RJ Lee Grp Inc, Pittsburgh, PA USA.
RP Huerta, NJ (reprint author), 1450 Queen Ave SW, Albany, OR 97321 USA.
EM nicolas.huerta@netl.doe.gov
RI Hesse, Marc/B-4914-2011
OI Hesse, Marc/0000-0002-2532-3274
FU National Risk Assessment Partnership of the U.S. DOE National Energy
Technology Laboratory; Geological CO2 Storage Industrial Affiliates
Program at the Center for Petroleum and Geosystems Engineering at the
University of Texas at Austin
FX The authors would like to thank Jim Fazio for performing some of the
constant pressure differential experiments and Barbara Kutchko for
discussions on cement chemistry. This work was supported by the National
Risk Assessment Partnership of the U.S. DOE National Energy Technology
Laboratory and from sponsors of the Geological CO2 Storage
Industrial Affiliates Program at the Center for Petroleum and Geosystems
Engineering at the University of Texas at Austin.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 276
EP 289
DI 10.1016/j.ijggc.2015.02.006
PG 14
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500025
ER
PT J
AU Bacon, DH
Qafoku, NP
Dai, ZX
Keating, EH
Brown, CF
AF Bacon, Diana H.
Qafoku, Nikolla P.
Dai, Zhenxue
Keating, Elizabeth H.
Brown, Christopher F.
TI Modeling the impact of carbon dioxide leakage into an unconfined,
oxidizing carbonate aquifer
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE Aquifer; CO2; Simulation; PHREEQc; STOMP; Trace metals
ID REACTIVE TRANSPORT; CO2 SEQUESTRATION; HETEROGENEOUS AQUIFERS;
GROUNDWATER RESOURCES; DISSOLUTION KINETICS; POTENTIAL IMPACTS;
TRACE-METAL; INTRUSION; STORAGE; SITE
AB Multiphase, reactive transport modeling was used to identify the mechanisms controlling trace metal release under elevated CO2 conditions from a well-characterized carbonate aquifer. Modeling was conducted for both batch and column experiments. The column experiments resulted in higher trace metal concentrations because the rock to water ratio was higher. A kinetic desorption model fits the overall trends in release for seven trace metals observed in batch and column experiments exposing Edwards Aquifer material to elevated concentrations of CO2. Observed and predicted trace metal concentrations are compared to groundwater concentrations from this aquifer to determine the potential for leaking CO2 to adversely impact drinking water quality. Finally, a three-dimensional multiphase flow and reactive transport simulation of CO2 leakage from an abandoned wellbore into a generalized model of the shallow, unconfined portion of the aquifer is used to determine potential impacts on groundwater quality. As a measure of adverse impacts on groundwater quality, both the EPA's regulatory limits and the maximum trace metal concentration observed in the aquifer were used as threshold values. Results of the field scale simulations indicate that CO2 leakage into a carbonate aquifer is likely to cause decreases in pH and increases in TDS beyond observed ranges in the aquifer and beyond regulatory limits. However, trace metal concentrations are not predicted to exceed either the observed maximums or the regulatory limits. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Bacon, Diana H.; Qafoku, Nikolla P.; Brown, Christopher F.] Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K9-33, Richland, WA 99352 USA.
[Dai, Zhenxue; Keating, Elizabeth H.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Bacon, DH (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN K9-33, Richland, WA 99352 USA.
EM diana.bacon@pnnl.gov
OI Bacon, Diana/0000-0001-9122-5333; Qafoku, Nikolla
P./0000-0002-3258-5379; Dai, Zhenxue/0000-0002-0805-7621
FU NRAP under DOE [DE-AC05-76RL01830]; DOE's Office of Biological and
Environmental Research and located at PNNL
FX The U.S. Department of Energy's (DOE's) Office of Fossil Energy has
established the National Risk Assessment Partnership (NRAP) Project. The
research presented in this report was completed as part of the
groundwater protection task of the NRAP Project. NRAP funding was
provided to Pacific Northwest National Laboratory (PNNL) under DOE
contract number DE-AC05-76RL01830. A portion of the experimental
research was performed using the Environmental Molecular Sciences
Laboratory (EMSL), a national scientific user facility sponsored by
DOE's Office of Biological and Environmental Research and located at
PNNL. A portion of the modeling research was performed using PNNL
Institutional Computing facilities.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 290
EP 299
DI 10.1016/j.ijggc.2015.04.008
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500026
ER
PT J
AU Zheng, LG
Qafoku, NP
Lawter, A
Wang, GH
Shao, HB
Brown, CF
AF Zheng, Liange
Qafoku, Nikolla P.
Lawter, Amanda
Wang, Guohui
Shao, Hongbo
Brown, Christopher F.
TI Evaluating impacts of CO2 intrusion into an unconsolidated aquifer: II.
Modeling results
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 gas; Groundwater contamination; Modeling; Contaminant release
ID FRESH-WATER RESOURCES; BATCH-REACTION EXPERIMENT; METAL RELEASE;
GEOCHEMICAL IMPACTS; GROUNDWATER QUALITY; SEDIMENTARY BASINS; GEOLOGICAL
STORAGE; ROCK INTERACTIONS; POTABLE AQUIFERS; FRIO-FORMATION
AB Large scale deployment of CO2 geological sequestration requires the assessment of the risks. One of the potential risks is the impact of CO2 leakage on shallow groundwater overlying the sequestration site.The understanding of the key chemical processes and parameters are critical for building numerical models for risk assessment. Model interpretation of laboratory and field tests is an effective way to enhance such understanding. As part of this investigation, column experiments in which the CO2 saturated synthetic groundwater flowed through a column packed with materials from the High Plains aquifer, were conducted. Changes in concentrations of several constituents in the column effluent and pH were determined. In this paper, a reactive transport model was developed to describe and interpret the observed concentration changes, attempting to shed light on the chemical reactions and mechanisms and key parameters that control the changes in effluent chemistry. The reactive transport model described fairly well the changes in pH and the concentration changes of Ca, Mg, Ba, Sr, Cs, As and Pb. Calcite dissolution and Ca -driven cation exchange reactions were the major drivers for the concentration changes of Ca, Ba, Sr, and Cs. The pH -driven adsorption/desorption reactions led to a concentration increase of As and Pb. The volume fraction and reactive surface area of calcite, CEC and sorption capacity were key parameters in controlling the magnitude of concentration increase. Model results also showed that Ba, which is an important chemical element released into the aqueous phase during these experiments, may be incorporated into the calcite crystal structure and the dissolution of Ba-bearing calcite could be an alternative pathway to explain the increase in aqueous Ba concentration when sediments are exposed to the CO2 saturated leaching groundwater. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zheng, Liange] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Qafoku, Nikolla P.; Lawter, Amanda; Wang, Guohui; Shao, Hongbo; Brown, Christopher F.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Qafoku, NP (reprint author), Pacific NW Natl Lab, Earth Syst Sci Div, Geosci Grp, 902 Battelle Blvd,POB 999,MSIN P7-58, Richland, WA 99352 USA.
EM nik.qafoku@pnl.gov
RI zheng, liange/B-9748-2011
OI zheng, liange/0000-0002-9376-2535
FU National Risk Assessment Partnership (NRAP) in the U.S. DOE Office of
Fossil Energy under DOE [DE AC05 76RL01830]; Department of Energy's
Office of Biological and Environmental Research and located at PNNL;
U.S. DOE [DE-AC06-76RLO 1830]
FX Funding for this research was provided by the National Risk Assessment
Partnership (NRAP) in the U.S. DOE Office of Fossil Energy under DOE
contract number DE AC05 76RL01830. XRD and SEM analysis were performed
in the Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the Department of Energy's Office
of Biological and Environmental Research and located at PNNL.PNNL is
operated by Battelle for the U.S. DOE under contract DE-AC06-76RLO 1830.
Samples were obtained from the Kansas Geological Survey at Kansas
University.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 300
EP 309
DI 10.1016/j.ijggc.2015.07.001
PG 10
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500027
ER
PT J
AU Wang, GH
Qafoku, NP
Lawter, AR
Bowden, M
Harvey, O
Sullivan, C
Brown, CF
AF Wang, Guohui
Qafoku, Nikolla P.
Lawter, Amanda R.
Bowden, Mark
Harvey, Omar
Sullivan, Charlotte
Brown, Christopher F.
TI Geochemical impacts of leaking CO2 from subsurface storage reservoirs to
an unconfined oxidizing carbonate aquifer
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 gas leakage; Batch and column experiments; Release of major; Minor
and trace elements
ID FRESH-WATER RESOURCES; SHALLOW GROUNDWATER SYSTEM; BATCH-REACTION
EXPERIMENT; NATURAL ANALOG SITE; GEOLOGICAL STORAGE; POTABLE AQUIFERS;
METAL RELEASE; LEAKAGE; FIELD; DIOXIDE
AB A series of batch and column experiments combined with solid phase characterization studies was conducted to evaluate the impacts of the potential leakage of carbon dioxide (CO2) from deep subsurface storage reservoirs to overlying potable carbonate aquifers. The main objective was to gain an understanding on CO2 gas-induced changes in aquifer pH and mobilization of major, minor, and trace elements from dissolving minerals in rocks representative of an unconfined, oxidizing carbonate aquifer within the continental US. Samples from the unconfined portion of the Edwards limestone aquifer in Texas were exposed to a CO2 gas stream or were leached with a CO2-saturated influent solution simulating different leaking scenarios [i.e., sudden, fast, and short-lived release of CO2 (batch experiments) and gradual release (column experiments)]. The results from the batch and column experiments confirmed that exposure to excess CO2 gas caused significant decrease in pH (about two pH units); the release of major chemical elements into the contacting aqueous phase (such as Ca, Mg, Ba, Sr, Si, Na, and K); the mobilization and possible rapid immobilization of minor elements (such as Al and Mn), which are able to form highly reactive secondary phases; and sustained but low-concentration releases of some trace elements (such as Mo, Cs, Sn) in some samples. Spikes of low concentrations of other trace elements (such as As, Cd, Pb, Cu, Zn, Se, etc.), were observed sporadically during these experiments. The results help in developing a systematic understanding of how CO2 leakage is likely to influence pertinent geochemical processes (such as dissolution/precipitation and sorption/desorption) in the aquifer sediments and will support site selection, risk assessment, policy-making, and public education efforts associated with geologic CO2 sequestration. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Wang, Guohui; Qafoku, Nikolla P.; Lawter, Amanda R.; Sullivan, Charlotte; Brown, Christopher F.] Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
[Bowden, Mark] Pacific NW Natl Lab, Emvironm Mol Sci Lab, Richland, WA 99352 USA.
[Harvey, Omar] Univ So Mississippi, Hattiesburg, MS 39406 USA.
RP Qafoku, NP (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
EM nik.qafoku@pnnl.gov
FU NRAP under DOE [DE-AC05-76RL01830]
FX The U.S. Department of Energy's (DOE's) Office of Fossil Energy has
established the National Risk Assessment Partnership (NRAP) Project to
better understand and predict risk at CO2 sequestration
sites. The research presented in this paper was completed as part of the
GW protection task of the NRAP Project. NRAP funding was provided to
PNNL under DOE contract number DE-AC05-76RL01830. The research presented
in this paper was conducted in part in the Environmental Molecular
Sciences Laboratory, which is a national scientific user facility
located at PNNL and operated by Battelle Memorial Institute on behalf of
the U.S. DOE OBER. SEM and EDS measurements were taken by Isaac Carrot
and we are grateful for his efforts.
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SN 1750-5836
EI 1878-0148
J9 INT J GREENH GAS CON
JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 310
EP 322
DI 10.1016/j.ijggc.2015.07.002
PG 13
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500028
ER
PT J
AU Lawter, A
Qafoku, NP
Wang, GH
Shao, HB
Brown, CF
AF Lawter, Amanda
Qafoku, Nikolla P.
Wang, Guohui
Shao, Hongbo
Brown, Christopher F.
TI Evaluating impacts of CO2 intrusion into an unconsolidated aquifer: I.
Experimental data
SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL
LA English
DT Article
DE CO2 gas; Groundwater contamination; Contaminant release
ID FRESH-WATER RESOURCES; BATCH-REACTION EXPERIMENT; GEOLOGICAL STORAGE;
CARBON-DIOXIDE; GEOCHEMICAL IMPACTS; POTENTIAL IMPACTS; POTABLE
AQUIFERS; LEAKAGE; GROUNDWATER; SEQUESTRATION
AB Capture and deep subsurface sequestration of CO2 has been identified as a potential mitigation technique for rising atmospheric CO2 concentrations. Sequestered CO2 represents a potential risk to overlying aquifers if the CO2 leaks from the deep storage complex. Batch and column experiments combined with wet chemical extractions were conducted to evaluate these risks to groundwater quality and to understand effects of unintentional release of CO2 on groundwater chemistry and aquifer mineralogy. Sediments from the High Plains aquifer in Kansas, a largely unconsolidated aquifer, were used to study time -dependent release of major, minor and trace elements when exposed to CO2 gas. Results showed that Ca, Ba, Si, Mg, Sr, Na, and K increased either within the first 4 h or followed nonlinear increasing trends with time, indicating that dissolution and/or desorption reactions controlled their release. In addition, other elements (e.g., Fe and Mn) and trace elements (e.g., As, Cu, Cr, Pb) were released during batch and column experiments, demonstrating the possibility for changes in mineralogy and groundwater quality degradation due to exposure to seepage of sequestered CO2. National drinking water regulations were exceeded for As and Mn in the batch experiments, and As, Se, Mn, Pb and Hg in the column experiments, despite low levels of these contaminants found in the sediments. In addition, the concentration of another potential contaminant, i.e., Mo, was consistently higher in the control batch experiments (i.e., absence of CO2) but was below detection in the presence of CO2 indicating a potential for removal of elements by CO2 gas exposure. Although results will be site specific for the High Plains aquifer and other mostly unconsolidated aquifers, these investigations will provide useful information to support site selection, risk assessment, and public education efforts associated with geological CO2 storage and sequestration. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Lawter, Amanda; Qafoku, Nikolla P.; Wang, Guohui; Shao, Hongbo; Brown, Christopher F.] Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
RP Lawter, A (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7-54, Richland, WA 99352 USA.
EM amanda.lawter@pnnl.gov
FU National Risk Assessment Partnership (NRAP) in the U.S. DOE Office of
Fossil Energy under DOE [DE AC05 76RL01830]; Department of Energy's
Office of Biological and Environmental Research and located at PNNL;
U.S. DOE [DE-AC06-76RLO 1830]
FX Funding for this research was provided by the National Risk Assessment
Partnership (NRAP) in the U.S. DOE Office of Fossil Energy under DOE
contract number DE AC05 76RL01830. XRD and SEM analysis were performed
in the Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility sponsored by the Department of Energy's Office
of Biological and Environmental Research and located at PNNL. PNNL is
operated by Battelle for the U.S. DOE under Contract DE-AC06-76RLO 1830.
Samples were obtained from the Kansas Geological Survey at Kansas
University.
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SN 1750-5836
EI 1878-0148
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JI Int. J. Greenh. Gas Control
PD JAN
PY 2016
VL 44
BP 323
EP 333
DI 10.1016/j.ijggc.2015.07.009
PG 11
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering,
Environmental
SC Science & Technology - Other Topics; Energy & Fuels; Engineering
GA DB8FV
UT WOS:000368753500029
ER
PT J
AU Knezevic, M
Crapps, J
Beyerlein, IJ
Coughlin, DR
Clarke, KD
McCabe, RJ
AF Knezevic, Marko
Crapps, Justin
Beyerlein, Irene J.
Coughlin, Daniel R.
Clarke, Kester D.
McCabe, Rodney J.
TI Anisotropic modeling of structural components using embedded crystal
plasticity constructive laws within finite elements
SO INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES
LA English
DT Article
DE Copper; Uranium; Constitutive modeling; Finite element method; Texture
ID STRAIN-PATH CHANGES; POLYCRYSTALLINE HCP/BCC COMPOSITES;
X-RAY-DIFFRACTION; ALPHA-URANIUM; TEXTURE EVOLUTION; CRYSTALLOGRAPHIC
TEXTURE; DEFORMATION-BEHAVIOR; MECHANICAL RESPONSE; PROPERTY CLOSURES;
DISLOCATION DENSITY
AB Pins are commonly used to join members of mechanical mechanisms. In order to maintain the integrity of the joint and prevent failure, there must be sufficient material of adequate strength around the pin hole to sustain the bearing and tear out loads from the pin connection. In this work, a multi-scale materials simulation model based on finite elements (FE) is developed for design and evaluation of materials for such applications. We specifically examine several constitutive models for simulating the elasto-plastic behavior of the plate material while maintaining computational efficiency. Here, models are developed for two plate materials: copper (Cu) and alpha-uranium (alpha-U), with vastly different plastic behaviors owing to their crystal structures and crystallographic textures. For Cu, digital image correlation (DIC) tests are carried out during loading of the plate/pin assembly to characterize the strain distributions in the critical hole/pin area. The corresponding FE simulations are carried out using a combination of constitutive laws involving a fine-scale polycrystal plasticity calculation, a J2 flow theory, or a combination of both. We show that the FE model using the fine-scale polycrystal plasticity constitutive law successfully captures the DIC strain fields in the hole region at different plate displacements. Surprisingly, use of the more computationally efficient J2 plasticity model also produces reasonable results in comparison with the measurements and the fine-scale constitutive law. An interesting finding is that combining fine-scale constitutive laws in the region surrounding the hole and continuum J2 theory elsewhere gives the worst agreement. It also precariously produces non-conservative estimates for the hole opening with applied displacement. These results on Cu helped subsequent simulations on a-U, where use of the fine-scale polycrystal simulation is fundamental considering the highly plastic anisotropic response of this complicated material. We demonstrate that in the alpha-U plates, the localized deformation in the hole region is highly dependent on the direction of displacement. (c) 2015 Elsevier Ltd. All rights reserved.
C1 [Knezevic, Marko] Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA.
[Crapps, Justin] ExxonMobil Upstream Res Co, Mech Mat Sect, Houston, TX 77098 USA.
[Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Coughlin, Daniel R.; Clarke, Kester D.; McCabe, Rodney J.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
RP Knezevic, M (reprint author), Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA.
EM marko.knezevic@unh.edu
RI Clarke, Kester/R-9976-2016;
OI McCabe, Rodney /0000-0002-6684-7410
FU Los Alamos National Laboratory Directed Research and Development (LDRD)
[20140630ER]; DOE [DE-AC52-06NA25396]; Seaborg Institute
FX This work was supported by the Los Alamos National Laboratory Directed
Research and Development (LDRD) project 20140630ER. Los Alamos National
Laboratory is operated by Los Alamos National Security LLC under DOE
Contract DE-AC52-06NA25396. M. K. gratefully acknowledges the Seaborg
Institute for partial financial support under a Post-Doctoral Fellowship
through the LANL LDRD Program.
NR 94
TC 10
Z9 10
U1 7
U2 10
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0020-7403
EI 1879-2162
J9 INT J MECH SCI
JI Int. J. Mech. Sci.
PD JAN
PY 2016
VL 105
BP 227
EP 238
DI 10.1016/j.ijmecsci.2015.11.021
PG 12
WC Engineering, Mechanical; Mechanics
SC Engineering; Mechanics
GA DC1JN
UT WOS:000368972700020
ER
PT J
AU Logue, JM
Turner, WJN
Walker, IS
Singer, BC
AF Logue, Jennifer M.
Turner, William J. N.
Walker, Iain S.
Singer, Brett C.
TI A simplified model for estimating population-scale energy impacts of
building envelope air tightening and mechanical ventilation retrofits
SO JOURNAL OF BUILDING PERFORMANCE SIMULATION
LA English
DT Article
DE ventilation; energy; air tightening; weatherization; retrofit; policy
ID INFILTRATION HEAT-RECOVERY; FIELD
AB Changing the air exchange rate of a home affects the annual thermal conditioning energy. Large-scale changes to air exchange rates of the housing stock can significantly alter the residential sector's energy consumption. However, the complexity of existing residential energy models is a barrier to the accurate quantification of the impact of policy changes on a state or national level. The Incremental Ventilation Energy (IVE) model introduced here combines the output of simple air exchange models with a limited set of housing characteristics to estimate the associated change in energy demand of homes. The IVE model was designed specifically to enable modellers to use existing databases of housing characteristics to determine the impact of ventilation policy change on a population scale. The IVE model estimates of energy change when applied to US homes with limited parameterization are shown to be comparable to the estimates of a well-validated, complex residential energy model.
C1 [Logue, Jennifer M.; Turner, William J. N.; Walker, Iain S.; Singer, Brett C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Residential Bldg Syst Grp, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Turner, William J. N.] Univ Dublin Trinity Coll, Dept Civil Struct & Environm Engn, Coll Green, Museum Bldg, Dublin 2, Ireland.
RP Turner, WJN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Residential Bldg Syst Grp, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM will.turner@tcd.ie
FU US Department of Energy Building Technologies Program, Office of Energy
Efficiency and Renewable Energy under Department of Energy
[DE-AC02-05CH11231]; US Department of Housing and Urban Development,
Office of Healthy Homes and Lead Hazard Control [I-PHI-01070]; US
Environmental Protection Agency Office of Air and Radiation
[DW-89-92322201-0]; CEC [500-08-061]
FX Funding was provided by the US Department of Energy Building
Technologies Program, Office of Energy Efficiency and Renewable Energy
under Department of Energy Contract No. DE-AC02-05CH11231; by the US
Department of Housing and Urban Development, Office of Healthy Homes and
Lead Hazard Control through Interagency Agreement I-PHI-01070; by the US
Environmental Protection Agency Office of Air and Radiation through
Interagency Agreement DW-89-92322201-0 and by the CEC through Contract
500-08-061.
NR 28
TC 0
Z9 0
U1 0
U2 3
PU TAYLOR & FRANCIS LTD
PI ABINGDON
PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND
SN 1940-1493
EI 1940-1507
J9 J BUILD PERFORM SIMU
JI J. Build. Perf. Simul.
PD JAN
PY 2016
VL 9
IS 1
BP 1
EP 16
DI 10.1080/19401493.2014.993710
PG 16
WC Construction & Building Technology
SC Construction & Building Technology
GA DB7KN
UT WOS:000368694100001
ER
PT J
AU Tai, S
Williams, NJ
Carrick, JD
AF Tai, Serene
Williams, Neil J.
Carrick, Jesse D.
TI Synthesis of Bis-1,2,4-triazines via Telescoped Condensation of
[1,10]-Phenanthroline-2,9-dicarbonitrile with Aromatic 1,2-Dicarbonyls
SO JOURNAL OF HETEROCYCLIC CHEMISTRY
LA English
DT Article
ID EXTRACTION; LIGANDS; SEPARATION; COMPLEXATION; LANTHANIDES; ACTINIDES;
AM(III); EU(III)
AB Efficient separation of minor actinides from spent nuclear fuel remains a formidable challenge. As part of ongoing efforts to identify effective ligands for separation of toxic radionuclides, a series of bis-1,2,4-triazines, three novel, have been prepared from [1,10]-phenanthroline-2,9-dicarbonitrile in two-telescoped steps without additives, complicated workups, prolonged reaction times, or additional purification.
C1 [Tai, Serene; Carrick, Jesse D.] Tennessee Technol Univ, Dept Chem, 55 Univ Dr, Cookeville, TN 38505 USA.
[Williams, Neil J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Carrick, JD (reprint author), Tennessee Technol Univ, Dept Chem, 55 Univ Dr, Cookeville, TN 38505 USA.
EM jcarrick@tntech.edu
FU Fuel Cycle Research and Development program, Office of Nuclear Energy,
U.S. Department of Energy; TTU Department of Chemistry; NSF-RUI
[9970016]
FX Financial support for this project was provided by a grant from the Fuel
Cycle Research and Development program, Office of Nuclear Energy, U.S.
Department of Energy, and the TTU Department of Chemistry. Support from
NSF-RUI 9970016 is gratefully acknowledged for the acquisition of the
department's 300 MHz NMR spectrometer. The authors would also like to
thank Dr. Markus W. Voehler (VU) for acquisition of NMR data for 19 and
22. Profs. Dale D. Ensor and Janet G. Coonce (TTU) and Dr. Laetitia H.
Delmau (ORNL) are acknowledged for helpful discussions. The University
of Alabama and Dr. Qiaoli Liang (UA) are gratefully acknowledged for
acquisition of HRMS data.
NR 18
TC 1
Z9 1
U1 0
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0022-152X
EI 1943-5193
J9 J HETEROCYCLIC CHEM
JI J. Heterocycl. Chem.
PD JAN
PY 2016
VL 53
IS 1
BP 307
EP 312
DI 10.1002/jhet.2295
PG 6
WC Chemistry, Organic
SC Chemistry
GA DC1UU
UT WOS:000369003300041
ER
PT J
AU Lin, YZ
Wang, JY
Li, TF
Wu, Y
Wang, C
Han, L
Yao, YH
Ma, W
Zhan, XW
AF Lin, Yuze
Wang, Jiayu
Li, Tengfei
Wu, Yang
Wang, Cheng
Han, Lei
Yao, Yuehan
Ma, Wei
Zhan, Xiaowei
TI Efficient fullerene-free organic solar cells based on fused-ring
oligomer molecules
SO JOURNAL OF MATERIALS CHEMISTRY A
LA English
DT Article
ID ELECTRON-ACCEPTORS; PHOTOVOLTAIC CELLS; POLYMER; DONOR; BLENDS;
DIKETOPYRROLOPYRROLE; BENZODITHIOPHENE; DONOR/ACCEPTOR; MISCIBILITY;
AGGREGATION
AB We design and synthesize monodisperse fused-ring oligomer molecules benzo[1,2-b:4,5-b'] dithiophene (BDT) flanked with electron-withdrawing diketopyrrolopyrrole (DPP). A tiny change in the side chain induces significant variation in crystallinity, phase separation, charge transport and photovoltaic properties of the semiconductors. BDTS-2DPP with linear alkylthio substituents exhibits a much higher hole mobility of 1.1 x 10(-2) cm(2) V-1 s(-1) than the branched alkyl substituted BDT-2DPP (3.0 x 10(-3) cm(2) V-1 s(-1)). The LUMO (-3.49 eV) and HOMO (-5.28 eV) energy levels of BDTS-2DPP are lower than those of BDT-2DPP (-3.46 eV and -5.23 eV) due to the pi-acceptor capability of the sulfur atom. Fullerene-free organic solar cells using BDTS-2DPP as a donor and monodisperse fused-ring oligomer molecule IEIC as an acceptor exhibit higher open-circuit voltage, short-circuit current density, fill factor and power conversion efficiency (PCE, 5.29%) than the BDT-2DPP control devices (PCE = 4.00%) with the conventional structure. The inverted devices based on BDTS-2DPP:IEIC show an improved PCE of 6.03% relative to the conventional devices. Atomic force microscopy, grazing incident wide-angle X-ray diffraction and resonant soft X-ray scattering are used to deeply investigate the molecular packing, phase separation and surface aggregation of the blended films and to understand the effect of molecular side chains. We find that the linear alkylthio substitution in BDTS-2DPP improves the crystallinity and unexpectedly reserves small phase separation domains in the blend.
C1 [Lin, Yuze; Wang, Jiayu; Li, Tengfei; Han, Lei; Yao, Yuehan; Zhan, Xiaowei] Peking Univ, Dept Mat Sci & Engn, Coll Engn, Key Lab Polymer Chem & Phys,Minist Educ, Beijing 100871, Peoples R China.
[Lin, Yuze] Capital Normal Univ, Dept Chem, Beijing 100048, Peoples R China.
[Wu, Yang; Ma, Wei] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
[Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Zhan, XW (reprint author), Peking Univ, Dept Mat Sci & Engn, Coll Engn, Key Lab Polymer Chem & Phys,Minist Educ, Beijing 100871, Peoples R China.; Ma, W (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.
EM msewma@mail.xjtu.edu.cn; xwzhan@pku.edu.cn
RI MA, Wei/E-1254-2013; Zhan, Xiaowei/N-9140-2013; Wang, Cheng/A-9815-2014;
OI MA, Wei/0000-0001-6926-1960; Ma, Wei/0000-0002-7239-2010
FU NSFC [91433114, 51261130582, 21504058, 21504006, 21534003]; Office of
Science, Office of Basic Energy Sciences of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX We thank the NSFC (91433114, 51261130582, 21504058, 21504006, 21534003)
for financial support. X-ray data were acquired at beamlines 7.3.3 and
11.0.1.2 at the Advanced Light Source, which is supported by the
Director, Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy under Contract no. DE-AC02-05CH11231. The
Supercomputing Center of Chinese Academy of Sciences is acknowledged for
molecular modeling.
NR 61
TC 9
Z9 9
U1 37
U2 110
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7488
EI 2050-7496
J9 J MATER CHEM A
JI J. Mater. Chem. A
PY 2016
VL 4
IS 4
BP 1486
EP 1494
DI 10.1039/c5ta10424f
PG 9
WC Chemistry, Physical; Energy & Fuels; Materials Science,
Multidisciplinary
SC Chemistry; Energy & Fuels; Materials Science
GA DB9LP
UT WOS:000368837800041
ER
PT J
AU Cordoba, A
Stieger, T
Mazza, MG
Schoen, M
de Pablo, JJ
AF Cordoba, Andres
Stieger, Tillmann
Mazza, Marco G.
Schoen, Martin
de Pablo, Juan J.
TI Anisotropy and probe-medium interactions in the microrheology of nematic
fluids
SO JOURNAL OF RHEOLOGY
LA English
DT Article
ID LIQUID-CRYSTALLINE SOLUTIONS; MOLECULAR-DYNAMICS; TRACKING
MICRORHEOLOGY; COMPLEX FLUIDS; F-ACTIN; FLOW; PARTICLE; POLYMER; SPHERE;
NANOPARTICLES
AB A theoretical formalism is presented to analyze and interpret microrheology experiments in anisotropic fluids with nematic order. The predictions of that approach are examined in the context of a simple coarse-grained molecular model which is simulated using nonequilibrium molecular dynamics calculations. The proposed formalism is used to study the effect of confinement, the type of anchoring at the probe-particle surface, and the strength of the nematic field on the rheological response functions obtained from probe-particle active microrheology. As expected, a stronger nematic field leads to increased anisotropy in the rheological response of the material. It is also found that the defect structures that arise around the probe particle, which are determined by the type of anchoring and the particle size, have a significant effect on the rheological response observed in microrheology simulations. Independent estimates of the bulk dynamic modulus of the model nematic fluid considered here are obtained from small-amplitude oscillatory shear simulations with Lees Edwards boundary conditions. The results of simulations indicate that the dynamic modulus extracted from particle-probe microrheology is different from that obtained in the absence of the particle, but that the differences decrease as the size of the defect also decreases. Importantly, the results of the nematic microrheology theory proposed here are in much closer agreement with simulations than those from earlier formalisms conceived for isotropic fluids. As such, it is anticipated that the theoretical framework advanced in this study could provide a useful tool for interpretation of microrheology experiments in systems such as liquid crystals and confined macromolecular solutions or gels. (C) 2016 The Society of Rheology.
C1 [Cordoba, Andres; de Pablo, Juan J.] Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA.
[Stieger, Tillmann; Schoen, Martin] Tech Univ Berlin, Stranski Lab Phys & Theoret Chem, Str 17 Juni 115, D-10623 Berlin, Germany.
[Mazza, Marco G.] MPIDS, Fassberg 17, D-37077 Gottingen, Germany.
[Schoen, Martin] N Carolina State Univ, Dept Chem & Biomol Engn, 911 Partners Way, Raleigh, NC 27695 USA.
[de Pablo, Juan J.] Argonne Natl Lab, Inst Mol Engn, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP de Pablo, JJ (reprint author), Univ Chicago, Inst Mol Engn, 5747 South Ellis Ave, Chicago, IL 60637 USA.; de Pablo, JJ (reprint author), Argonne Natl Lab, Inst Mol Engn, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM depablo@uchicago.edu
RI Cordoba Uribe, Andres/G-3294-2012
OI Cordoba Uribe, Andres/0000-0001-8775-5251
FU National Science Foundation [DMR-1410674]; University of Chicago MRSEC
[DMR-1420709]
FX The molecular dynamics simulations of a coarse-grained model reported in
this work were supported by the National Science Foundation through
grant DMR-1410674. The development of the theoretical model for
description of the motion of colloidal particles in a liquid crystal is
supported by the University of Chicago MRSEC, through grant DMR-1420709.
NR 83
TC 0
Z9 0
U1 4
U2 9
PU JOURNAL RHEOLOGY AMER INST PHYSICS
PI MELVILLE
PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA
SN 0148-6055
J9 J RHEOL
JI J. Rheol.
PD JAN-FEB
PY 2016
VL 60
IS 1
BP 75
EP 95
DI 10.1122/1.4935849
PG 21
WC Mechanics
SC Mechanics
GA DC1IP
UT WOS:000368970300006
ER
PT J
AU Fujihashi, Y
Fleming, GR
Ishizaki, A
AF Fujihashi, Yuta
Fleming, Graham R.
Ishizaki, Akihito
TI Influences of Quantum Mechanically Mixed Electronic and Vibrational
Pigment States in 2D Electronic Spectra of Photosynthetic Systems:
Strong Electronic Coupling Cases
SO JOURNAL OF THE CHINESE CHEMICAL SOCIETY
LA English
DT Article
DE Photosynthetic energy transfer; Dissipative quantum dynamics; 2D
electronic spectra
ID LIGHT-HARVESTING COMPLEXES; EXCITATION-ENERGY TRANSFER; GREEN SULFUR
BACTERIA; PHYSIOLOGICAL TEMPERATURE; VIBRONIC COHERENCE; FMO COMPLEX;
SPECTROSCOPY; PROTEIN; ANTENNA; DIFFERENCE
AB In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and several theoretical studies have suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with the Franck-Condon active vibrational modes in the resonant condition [Fujihashi et al., J. Chem. Phys. 2015, 142, 212403.]. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment electronic coupling. In this study, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongly coupled dimer with an off-resonant vibrational mode. Toward this end, we calculate energy transfer dynamics and 2D electronic spectra of a model dimer that corresponds to the most strongly coupled bacteriochlorophyll molecules in the Fenna-Matthews-Olson complex in a numerically accurate manner. The quantum mixtures are found to be robust under the exposure of protein-induced fluctuations at cryogenic temperatures, irrespective of the resonance. At 300K, however, the quantum mixing is disturbed more strongly by the fluctuations, and therefore, the beats in the 2D spectra become obscure even in a strongly coupled dimer with a resonant vibrational mode. Further, the overall behaviors of the energy transfer dynamics are demonstrated to be dominated by the environment and coupling between the 0 0 vibronic transitions as long as the Huang-Rhys factor of the vibrational mode is small. The electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics despite contributing to the enhancement of long-lived quantum beating in the 2D spectra.
C1 [Fujihashi, Yuta; Ishizaki, Akihito] Natl Inst Nat Sci, Inst Mol Sci, 38 Nishigonaka, Okazaki, Aichi 4448585, Japan.
[Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley & Phys Biosci Div, Dept Chem, Berkeley, CA 94720 USA.
RP Ishizaki, A (reprint author), Natl Inst Nat Sci, Inst Mol Sci, 38 Nishigonaka, Okazaki, Aichi 4448585, Japan.
EM ishizaki@ims.ac.jp
FU Japan Society for the Promotion of Science [25708003]; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences, Chemical
Sciences, Geosciences, and Biosciences Division
FX This study was supported by a Grant-in-Aid for Scientific Research (No.
25708003) from the Japan Society for the Promotion of Science and the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Chemical Sciences, Geosciences, and Biosciences Division.
NR 51
TC 1
Z9 1
U1 3
U2 17
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 0009-4536
EI 2192-6549
J9 J CHIN CHEM SOC-TAIP
JI J. Chin. Chem. Soc.
PD JAN
PY 2016
VL 63
IS 1
BP 49
EP 56
DI 10.1002/jccs.201500100
PG 8
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC1YQ
UT WOS:000369014800004
ER
PT J
AU Dunn, A
Dingreville, R
Capolungo, L
AF Dunn, Aaron
Dingreville, Remi
Capolungo, Laurent
TI Multi-scale simulation of radiation damage accumulation and subsequent
hardening in neutron-irradiated alpha-Fe
SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
LA English
DT Article
DE radiation defects; cascade damage; radiation hardening; crystal
plasticity; cluster dynamics
ID STOCHASTIC CLUSTER DYNAMICS; SELF-INTERSTITIAL ATOM; CR MODEL ALLOYS;
DISLOCATION DYNAMICS; CRYSTAL PLASTICITY; MICROSTRUCTURAL EVOLUTION;
MECHANICAL-BEHAVIOR; SINGLE CRYSTALS; DOSE DEPENDENCE; STAINLESS-STEEL
AB A hierarchical methodology is introduced to predict the effects of radiation damage and irradiation conditions on the yield stress and internal stress heterogeneity developments in polycrystalline alpha-Fe. Simulations of defect accumulation under displacement cascade damage conditions are performed using spatially resolved stochastic cluster dynamics. The resulting void and dislocation loop concentrations and average sizes are then input into a crystal plasticity formulation that accounts for the change in critical resolved shear stress due to the presence of radiation induced defects. The simulated polycrystalline tensile tests show a good match to experimental hardening data over a wide range of irradiation doses. With this capability, stress heterogeneity development and the effect of dose rate on hardening is investigated. The model predicts increased hardening at higher dose rates for low total doses. By contrast, at doses above 10(-2) dpa when cascade overlap becomes significant, the model does not predict significantly different hardening for different dose rates. The development of such a model enables simulation of radiation damage accumulation and associated hardening without relying on experimental data as an input under a wide range of irradiation conditions such as dose, dose rate, and temperature.
C1 [Dunn, Aaron] CNRS, George W Woodruff Sch Mech Engn, Georgia Inst Technol, UMI Georgia Tech 2958, F-57070 Metz, France.
[Dunn, Aaron; Dingreville, Remi] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Dunn, A (reprint author), CNRS, George W Woodruff Sch Mech Engn, Georgia Inst Technol, UMI Georgia Tech 2958, F-57070 Metz, France.
EM adunn32@gatech.edu
FU Laboratory Directed Research and Development program at Sandia National
Laboratories [DE-AC04-94AL85000]; US Department of Energy's Nuclear
Energy University Program [DE-NE0000678]; Sandia National
Laboratories/Georgia Tech Excellence in Engineering Research Program
FX Supported by the Laboratory Directed Research and Development program at
Sandia National Laboratories, 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 is
also supported by the US Department of Energy's Nuclear Energy
University Program (DE-NE0000678).; This work is also supported by the
Sandia National Laboratories/Georgia Tech Excellence in Engineering
Research Program.
NR 67
TC 1
Z9 1
U1 13
U2 26
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0965-0393
EI 1361-651X
J9 MODEL SIMUL MATER SC
JI Model. Simul. Mater. Sci. Eng.
PD JAN
PY 2016
VL 24
IS 1
AR 015005
DI 10.1088/0965-0393/24/1/015005
PG 19
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DB9TS
UT WOS:000368860400005
ER
PT J
AU Ozturk, T
Stein, C
Pokharel, R
Hefferan, C
Tucker, H
Jha, S
John, R
Lebensohn, RA
Kenesei, P
Suter, RM
Rollett, AD
AF Ozturk, Tugce
Stein, Clayton
Pokharel, Reeju
Hefferan, Christopher
Tucker, Harris
Jha, Sushant
John, Reji
Lebensohn, Ricardo A.
Kenesei, Peter
Suter, Robert M.
Rollett, Anthony D.
TI Simulation domain size requirements for elastic response of 3D
polycrystalline materials
SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
LA English
DT Article
DE spectral full-field modeling; fast Fourier transform algorithm;
anisotropic elastic response; microstructures; high-energy x-ray
diffraction microscopy; representative volume element
ID REPRESENTATIVE VOLUME ELEMENT; SHORT FATIGUE-CRACK; COMPOSITES;
BOUNDARIES
AB A fast Fourier transform (FFT) based spectral algorithm is used to compute the full field mechanical response of polycrystalline microstructures. The field distributions in a specific region are used to determine the sensitivity of the method to the number of surrounding grains through quantification of the divergence of the field values from the largest simulation domain, as successively smaller surrounding volumes are included in the simulation. The analysis considers a mapped 3D structure where the location of interest is taken to be a particular pair of surface grains that enclose a small fatigue crack, and synthetically created statistically representative microstructures to further investigate the effect of anisotropy, loading condition, loading direction, and texture. The synthetic structures are generated via DREAM3D and the measured material is a cyclically loaded, Ni-based, low solvus high refractory (LSHR) superalloy that was characterized via 3D high energy x-ray diffraction microscopy (HEDM). Point-wise comparison of distributions in the grain pairs shows that, in order to obtain a Pearson correlation coefficient larger than 99%, the domain must extend to at least the third nearest neighbor. For an elastic FFT calculation, the stress-strain distributions are not sensitive to the shape of the domain. The main result is that convergence can be specified in terms of the number of grains surrounding a region of interest.
C1 [Ozturk, Tugce; Stein, Clayton; Pokharel, Reeju; Tucker, Harris; Rollett, Anthony D.] Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA.
[Pokharel, Reeju; Lebensohn, Ricardo A.] Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663, Los Alamos, NM 87544 USA.
[Hefferan, Christopher; Suter, Robert M.] Carnegie Mellon Univ, Dept Phys, 5000 Forbes Ave, Pittsburgh, PA 15213 USA.
[Hefferan, Christopher] RJ Lee Grp, 350 Hochberg Rd, Monroeville, PA 15146 USA.
[Jha, Sushant] Universal Technol Corp, Dayton, OH 45432 USA.
[John, Reji] Mat & Mfg Directorate, Air Force Res Lab, Wright Patterson AFB, OH 45433 USA.
[Kenesei, Peter] Argonne Natl Lab, Adv Photon Source, 9700 South Cass Ave, Lemont, IL 60439 USA.
RP Ozturk, T (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15213 USA.
EM tozturk@andrew.cmu.edu
RI Lebensohn, Ricardo/A-2494-2008; Ozturk, Tugce/E-9317-2016; Rollett,
Anthony/A-4096-2012; Suter, Robert/P-2541-2014
OI Lebensohn, Ricardo/0000-0002-3152-9105; Ozturk,
Tugce/0000-0001-5040-5821; Rollett, Anthony/0000-0003-4445-2191; Suter,
Robert/0000-0002-0651-0437
FU AFOSR Discovery Challenge Thrust grant [FA9550-10-1-0213]; National
Science Foundation through TeraGrid [DMR080072]; US Department of
Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX Partial support by AFOSR Discovery Challenge Thrust grant
#FA9550-10-1-0213 is acknowledged. The research was also supported in
part by the National Science Foundation through TeraGrid resources
provided by Texas Advanced Computing Center under grant number
DMR080072. Use of the Advanced Photon Source was supported by the US
Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No DE-AC02-06CH11357. The authors are grateful
to Dr Jonathan Lind for his contribution in collecting and analyzing the
HEDM data, and also his algorithms for segmentation of diffractograms,
which greatly facilitated the reconstruction. The authors are grateful
to Dr S L Semiatin for heat treating the LSHR specimens to produce the
coarse microstructure and Mr W John Porter (University of Dayton
Research Institute) for microstructural characterization.
NR 26
TC 1
Z9 1
U1 4
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0965-0393
EI 1361-651X
J9 MODEL SIMUL MATER SC
JI Model. Simul. Mater. Sci. Eng.
PD JAN
PY 2016
VL 24
IS 1
AR 015006
DI 10.1088/0965-0393/24/1/015006
PG 13
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DB9TS
UT WOS:000368860400006
ER
PT J
AU Jeong, S
Lee, J
Kim, HC
Hwang, JY
Ku, BC
Zakharov, DN
Maruyama, B
Stach, EA
Kim, SM
AF Jeong, Seojeong
Lee, Jaegeun
Kim, Hwan-Chul
Hwang, Jun Yeon
Ku, Bon-Cheol
Zakharov, Dmitri N.
Maruyama, Benji
Stach, Eric A.
Kim, Seung Min
TI Direct observation of morphological evolution of a catalyst during
carbon nanotube forest growth: new insights into growth and growth
termination
SO NANOSCALE
LA English
DT Article
ID IN-SITU OBSERVATIONS; WATER; CONDUCTIVITY; MECHANISM; ARRAYS; SCALE;
STRENGTH; KINETICS
AB In this study, we develop a new methodology for transmission electron microscopy (TEM) analysis that enables us to directly investigate the interface between carbon nanotube (CNT) arrays and the catalyst and support layers for CNT forest growth without any damage induced by a post-growth TEM sample preparation. Using this methodology, we perform in situ and ex situ TEM investigations on the evolution of the morphology of the catalyst particles and observe the catalyst particles to climb up through CNT arrays during CNT forest growth. We speculate that the lifted catalysts significantly affect the growth and growth termination of CNT forests along with Ostwald ripening and sub-surface diffusion. Thus, we propose a modified growth termination model which better explains various phenomena related to the growth and growth termination of CNT forests.
C1 [Jeong, Seojeong; Lee, Jaegeun; Hwang, Jun Yeon; Ku, Bon-Cheol; Kim, Seung Min] Korea Inst Sci & Technol, Inst Adv Composite Mat, Jeonbuk 565905, South Korea.
[Jeong, Seojeong; Kim, Hwan-Chul] Chonbuk Natl Univ, Dept Organ Mat & Fiber Engn, Jeonju 561756, South Korea.
[Zakharov, Dmitri N.; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11733 USA.
[Maruyama, Benji] US Air Force, Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA.
RP Kim, SM (reprint author), Korea Inst Sci & Technol, Inst Adv Composite Mat, Jeonbuk 565905, South Korea.
EM seungmin.kim@kist.re.kr
RI Zakharov, Dmitri/F-4493-2014; Stach, Eric/D-8545-2011
OI Stach, Eric/0000-0002-3366-2153
FU Korea Institute of Science and Technology (KIST); Asian Office of
Aerospace Research and Development (AOARD) [FA2386-14-1-4047];
Industrial Fundamental Technology Development Program - Ministry of
Trade, Industry & Energy (MOTIE) of Korea [10052838]; U.S. Department of
Energy, Office of Basic Energy Sciences [DE-SC0012704]
FX This work is financially supported by the grants from the Korea
Institute of Science and Technology (KIST) institutional program and the
Asian Office of Aerospace Research and Development (AOARD) project
(Project No. FA2386-14-1-4047). This work is also supported by the
Industrial Fundamental Technology Development Program (10052838,
Development of the direct spinning process for continuous carbon
nanotube fiber) funded by the Ministry of Trade, Industry & Energy
(MOTIE) of Korea. Environmental TEM studies were carried out in part at
the Center for Functional Nanomaterials, Brookhaven National Laboratory,
which is supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, under Contract No. DE-SC0012704. We also thank Eomji
Lee for graphical assistance.
NR 42
TC 2
Z9 2
U1 5
U2 28
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2016
VL 8
IS 4
BP 2055
EP 2062
DI 10.1039/c5nr05547d
PG 8
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB9TX
UT WOS:000368860900035
PM 26700058
ER
PT J
AU Lewis, CS
Liu, HQ
Han, JY
Wang, L
Yue, SY
Brennan, NA
Wong, SS
AF Lewis, Crystal S.
Liu, Haiqing
Han, Jinkyu
Wang, Lei
Yue, Shiyu
Brennan, Nicholas A.
Wong, Stanislaus S.
TI Probing charge transfer in a novel class of luminescent perovskite-based
heterostructures composed of quantum dots bound to RE-activated CaTiO3
phosphors
SO NANOSCALE
LA English
DT Article
ID LOW-TEMPERATURE SYNTHESIS; PHOTOLUMINESCENCE PROPERTIES;
OPTICAL-PROPERTIES; CDSE NANOCRYSTALS; EU; NANOPARTICLES; NANOWIRES;
SRTIO3; PR; PERFORMANCE
AB We report on the synthesis and structural characterization of novel semiconducting heterostructures composed of cadmium selenide (CdSe) quantum dots (QDs) attached onto the surfaces of novel high-surface area, porous rare-earth-ion doped alkaline earth titanate micron-scale spherical motifs, i.e. both Eu-doped and Pr-doped CaTiO3, composed of constituent, component nanoparticles. These unique metal oxide perovskite building blocks were created by a multi-pronged synthetic strategy involving molten salt and hydrothermal protocols. Subsequently, optical characterization of these heterostructures indicated a clear behavioral dependence of charge transfer in these systems upon a number of parameters such as the nature of the dopant, the reaction temperature, and particle size. Specifically, 2.7 nm diameter ligand-functionalized CdSe QDs were anchored onto sub-micron sized CaTiO3-based spherical assemblies, prepared by molten salt protocols. We found that both the Pr -and Eu-doped CaTiO3 displayed pronounced PL emissions, with maximum intensities observed using optimized lanthanide concentrations of 0.2 mol% and 6 mol%, respectively. Analogous experiments were performed on Eu-doped BaTiO3 and SrTiO3 motifs, but CaTiO3 still performed as the most effective host material amongst the three perovskite systems tested. Moreover, the ligand-capped CdSe QD-doped CaTiO3 heterostructures exhibited effective charge transfer between the two individual constituent nanoscale components, an assertion corroborated by the corresponding quenching of their measured PL signals.
C1 [Lewis, Crystal S.; Liu, Haiqing; Wang, Lei; Yue, Shiyu; Brennan, Nicholas A.; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
[Han, Jinkyu; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Bldg 480, Upton, NY 11973 USA.
RP Wong, SS (reprint author), SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA.
EM Stanislaus.wong@stonybrook.edu
FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and
Engineering Division; U.S. Department of Energy [DE-AC02-98CH10886,
DE-SC-00112704]
FX Research for all authors was supported by the U.S. Department of Energy,
Basic Energy Sciences, Materials Sciences and Engineering Division.
Experiments for this manuscript 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 and DE-SC-00112704. Additionally, NAB was a U.S.
National Science Foundation REU summer student, working in the
Department of Chemistry at SUNY Stony Brook.
NR 51
TC 3
Z9 3
U1 33
U2 84
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2016
VL 8
IS 4
BP 2129
EP 2142
DI 10.1039/c5nr06697b
PG 14
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB9TX
UT WOS:000368860900044
PM 26725486
ER
PT J
AU Gobeljic, D
Shvartsman, VV
Belianinov, A
Okatan, B
Jesse, S
Kalinin, SV
Groh, C
Rodel, J
Lupascu, DC
AF Gobeljic, D.
Shvartsman, V. V.
Belianinov, A.
Okatan, B.
Jesse, S.
Kalinin, S. V.
Groh, C.
Roedel, J.
Lupascu, D. C.
TI Nanoscale mapping of heterogeneity of the polarization reversal in
lead-free relaxor-ferroelectric ceramic composites
SO NANOSCALE
LA English
DT Article
ID PIEZORESPONSE FORCE MICROSCOPY; FREE PIEZOCERAMICS; DOMAINS; STRAIN
AB Relaxor/ferroelectric ceramic/ceramic composites have shown to be promising in generating large electromechanical strain at moderate electric fields. Nonetheless, the mechanisms of polarization and strain coupling between grains of different nature in the composites remain unclear. To rationalize the coupling mechanisms we performed advanced piezoresponse force microscopy (PFM) studies of 0.92BNT-0.06BT-0.02KNN/0.93BNT-0.07BT (ergodic/non-ergodic relaxor) composites. PFM is able to distinguish grains of different phases by characteristic domain patterns. Polarization switching has been probed locally, on a sub-grain scale. k-Means clustering analysis applied to arrays of local hysteresis loops reveals variations of polarization switching characteristics between the ergodic and non-ergodic relaxor grains. We report a different set of switching parameters for grains in the composites as opposed to the pure phase samples. Our results confirm ceramic/ceramic composites to be a viable approach to tailor the piezoelectric properties and optimize the macroscopic electromechanical characteristics.
C1 [Gobeljic, D.; Shvartsman, V. V.; Lupascu, D. C.] Univ Duisburg Essen, Inst Mat Sci, D-45141 Essen, Germany.
[Gobeljic, D.; Shvartsman, V. V.; Lupascu, D. C.] Univ Duisburg Essen, Ctr Nanointegrat Duisburg Essen CENIDE, D-45141 Essen, Germany.
[Belianinov, A.; Okatan, B.; Jesse, S.; Kalinin, S. V.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37830 USA.
[Groh, C.; Roedel, J.] Tech Univ Darmstadt, Inst Mat Sci, Petersenstr 30, D-64287 Darmstadt, Germany.
RP Shvartsman, VV (reprint author), Univ Duisburg Essen, Inst Mat Sci, D-45141 Essen, Germany.
EM vladimir.shvartsman@uni-due.de
RI Jesse, Stephen/D-3975-2016; Okatan, M. Baris/E-1913-2016; Shvartsman,
Vladimir/J-4210-2014;
OI Jesse, Stephen/0000-0002-1168-8483; Okatan, M.
Baris/0000-0002-9421-7846; Shvartsman, Vladimir/0000-0002-7155-2473;
Lupascu, Doru C/0000-0002-6895-1334
FU European Commission within FP7 Marie Curie Initial Training Network
"Nanomotion" [290158]; Scientific User Facilities Division
[CNMS2013-250]; Leibniz program of the Deutsche Forschungsgemeinschaft
[Ro 954/22]
FX This work has been supported by the European Commission within FP7 Marie
Curie Initial Training Network "Nanomotion" (grant agreement no.
290158). The research was conducted at the Center for Nanophase
Materials Sciences, which is sponsored at Oak Ridge National Laboratory
by the Scientific User Facilities Division, Proposal Number:
CNMS2013-250. DG acknowledges the experimental support of Dr Evgeni
Strelcov. CG was supported by the Leibniz program of the Deutsche
Forschungsgemeinschaft under Ro 954/22.
NR 36
TC 5
Z9 5
U1 21
U2 61
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2016
VL 8
IS 4
BP 2168
EP 2176
DI 10.1039/c5nr05032d
PG 9
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB9TX
UT WOS:000368860900048
PM 26731664
ER
PT J
AU Ardiccioni, C
Clarke, OB
Tomasek, D
Issa, HA
von Alpen, DC
Pond, HL
Banerjee, S
Rajashankar, KR
Liu, Q
Guan, ZQ
Li, CJ
Kloss, B
Bruni, R
Kloppmann, E
Rost, B
Manzini, MC
Shapiro, L
Mancia, F
AF Ardiccioni, Chiara
Clarke, Oliver B.
Tomasek, David
Issa, Habon A.
von Alpen, Desiree C.
Pond, Heather L.
Banerjee, Surajit
Rajashankar, Kanagalaghatta R.
Liu, Qun
Guan, Ziqiang
Li, Chijun
Kloss, Brian
Bruni, Renato
Kloppmann, Edda
Rost, Burkhard
Manzini, M. Chiara
Shapiro, Lawrence
Mancia, Filippo
TI Structure of the polyisoprenyl-phosphate glycosyltransferase GtrB and
insights into the mechanism of catalysis
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CONGENITAL DISORDER; SHIGELLA-FLEXNERI; MANNOSE SYNTHASE;
MEMBRANE-PROTEINS; GLYCOSYLATION; DOLICHOL; PURIFICATION; STATE; IE;
SEQUENCE
AB The attachment of a sugar to a hydrophobic polyisoprenyl carrier is the first step for all extracellular glycosylation processes. The enzymes that perform these reactions, polyisoprenyl-glycosyltransferases (PI-GTs) include dolichol phosphate mannose synthase (DPMS), which generates the mannose donor for glycosylation in the endoplasmic reticulum. Here we report the 3.0 angstrom resolution crystal structure of GtrB, a glucose-specific PI-GT from Synechocystis, showing a tetramer in which each protomer contributes two helices to a membrane-spanning bundle. The active site is 15 angstrom from the membrane, raising the question of how water-soluble and membrane-embedded substrates are brought into apposition for catalysis. A conserved juxtamembrane domain harbours disease mutations, which compromised activity in GtrB in vitro and in human DPM1 tested in zebrafish. We hypothesize a role of this domain in shielding the polyisoprenyl-phosphate for transport to the active site. Our results reveal the basis of PI-GT function, and provide a potential molecular explanation for DPM1-related disease.
C1 [Ardiccioni, Chiara; Tomasek, David; Mancia, Filippo] Columbia Univ, Dept Physiol & Cellular Biophys, New York, NY 10032 USA.
[Clarke, Oliver B.; Shapiro, Lawrence] Columbia Univ, Dept Biochem & Mol Biophys, 630 W 168th St, New York, NY 10032 USA.
[Issa, Habon A.; von Alpen, Desiree C.; Pond, Heather L.; Manzini, M. Chiara] George Washington Univ, Dept Physiol & Pharmacol, Washington, DC 20037 USA.
[Issa, Habon A.; von Alpen, Desiree C.; Pond, Heather L.; Manzini, M. Chiara] George Washington Univ, Dept Integrat Syst Biol, Washington, DC 20037 USA.
[Banerjee, Surajit; Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, NE CAT, Argonne, IL 60439 USA.
[Banerjee, Surajit; Rajashankar, Kanagalaghatta R.] Cornell Univ, Argonne Natl Lab, Dept Chem & Chem Biol, Argonne, IL 60439 USA.
[Liu, Qun] Brookhaven Natl Lab, New York Struct Biol Ctr, Beamlines X4, Upton, NY 11973 USA.
[Guan, Ziqiang; Li, Chijun] Duke Univ, Med Ctr, Dept Biochem, Durham, NC 27710 USA.
[Kloss, Brian; Bruni, Renato] New York Struct Biol Ctr, New York Consortium Membrane Prot Struct, New York, NY 10027 USA.
[Kloppmann, Edda; Rost, Burkhard] Dept Informat Bioinformat & Computat Biol, D-85748 Garching, Germany.
[Kloppmann, Edda; Rost, Burkhard] TUM, Inst Adv Study TUM IAS, D-85748 Garching, Germany.
RP Mancia, F (reprint author), Columbia Univ, Dept Physiol & Cellular Biophys, New York, NY 10032 USA.
EM fm123@cumc.columbia.edu
OI Banerjee, Surajit/0000-0002-9414-7163; Manzini, M.
Chiara/0000-0001-7175-1096
FU NIH-NIGMS [P41 GM103403, R01 GM111980]; NIH-NIGMS initiative [U54
GM095315]; Muscular Dystrophy Association; March of Dimes; Fondazione
Marche/ISSNAF Post-Doctoral Fellowship; Charles H. Revson Senior
fellowship
FX Crystallographic data for this study were measured at beamlines X4A and
X4C, of the National Synchrotron Light Source and the NE-CAT beamlines
24ID-C and E (supported by NIH-NIGMS grant P41 GM103403) at the Advanced
Photon Source. This work was supported by an NIH-NIGMS initiative to the
New York Consortium on Membrane Protein Structure (NYCOMPS; U54
GM095315) and by NIH-NIGMS grant R01 GM111980 to F.M., and Research
Grants from the Muscular Dystrophy Association and the March of Dimes to
M.C.M., C.A. was supported by a Fondazione Marche/ISSNAF Post-Doctoral
Fellowship. O.B.C. was supported by a Charles H. Revson Senior
fellowship. We thank Wayne A. Hendrickson for his leadership of NYCOMPS
and both he and Alexander Sobolevsky for useful comments and
suggestions, Naresh Verma for helpful advice, Leora Hamberger for her
assistance running the Mancia Lab, and Adriana Nemes, Richard Axel and
the Axel laboratory for generously providing help with functional
experiments.
NR 48
TC 3
Z9 3
U1 4
U2 16
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10175
DI 10.1038/ncomms10175
PG 9
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AM
UT WOS:000369019600002
PM 26729507
ER
PT J
AU Ben-Shahar, Y
Scotognella, F
Kriegel, I
Moretti, L
Cerullo, G
Rabani, E
Banin, U
AF Ben-Shahar, Yuval
Scotognella, Francesco
Kriegel, Ilka
Moretti, Luca
Cerullo, Giulio
Rabani, Eran
Banin, Uri
TI Optimal metal domain size for photocatalysis with hybrid
semiconductor-metal nanorods
SO NATURE COMMUNICATIONS
LA English
DT Article
ID HYDROGEN EVOLUTION REACTION; FERMI-LEVEL EQUILIBRATION; GOLD
NANOPARTICLES; CATALYTIC-ACTIVITY; ELECTRON-TRANSFER; RECENT PROGRESS;
PARTICLE-SIZE; QUANTUM RODS; CDS-PT; NANOCRYSTALS
AB Semiconductor-metal hybrid nanostructures offer a highly controllable platform for light-induced charge separation, with direct relevance for their implementation in photocatalysis. Advances in the synthesis allow for control over the size, shape and morphology, providing tunability of the optical and electronic properties. A critical determining factor of the photocatalytic cycle is the metal domain characteristics and in particular its size, a subject that lacks deep understanding. Here, using a well-defined model system of cadmium sulfide-gold nanorods, we address the effect of the gold tip size on the photocatalytic function, including the charge transfer dynamics and hydrogen production efficiency. A combination of transient absorption, hydrogen evolution kinetics and theoretical modelling reveal a non-monotonic behaviour with size of the gold tip, leading to an optimal metal domain size for the most efficient photocatalysis. We show that this results from the size-dependent interplay of the metal domain charging, the relative band-alignments, and the resulting kinetics.
C1 [Ben-Shahar, Yuval; Banin, Uri] Hebrew Univ Jerusalem, Inst Chem, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.
[Ben-Shahar, Yuval; Banin, Uri] Hebrew Univ Jerusalem, Ctr Nanosci & Nanotechnol, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.
[Scotognella, Francesco; Kriegel, Ilka; Moretti, Luca; Cerullo, Giulio] Politecn Milan, CNR, IFN, Dipartimento Fis, I-20133 Milan, Italy.
[Rabani, Eran] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Rabani, Eran] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Rabani, Eran] Tel Aviv Univ, Sackler Inst Computat Mol & Mat Sci, IL-69978 Tel Aviv, Israel.
RP Banin, U (reprint author), Hebrew Univ Jerusalem, Inst Chem, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.; Banin, U (reprint author), Hebrew Univ Jerusalem, Ctr Nanosci & Nanotechnol, Edmond Safra Campus Givat Ram, IL-91904 Jerusalem, Israel.; Cerullo, G (reprint author), Politecn Milan, CNR, IFN, Dipartimento Fis, I-20133 Milan, Italy.; Rabani, E (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Rabani, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.; Rabani, E (reprint author), Tel Aviv Univ, Sackler Inst Computat Mol & Mat Sci, IL-69978 Tel Aviv, Israel.
EM Giulio.Cerullo@polimi.it; Eran.Rabani@Berkeley.edu;
Uri.Banin@mail.huji.ac.il
OI Banin, Uri/0000-0003-1698-2128
FU Israel Science Foundation [1560/13]; Ministry of Science, Technology and
Space, Israel; Directorate General for Political and Security Affairs of
the Ministry of Foreign Affairs, Italy; EC under Graphene Flagship
[CNECT-ICT-604391]; Camber Scholarship
FX We thank Dr Vitaly Gutkin from the Unit for Nanocharacterization at the
Hebrew University for assistance in the X-ray photoelectron spectroscopy
measurements. The research leading to these results has received funding
from The Israel Science Foundation (grant no. 1560/13) and the Ministry
of Science, Technology and Space, Israel & the Directorate General for
Political and Security Affairs of the Ministry of Foreign Affairs,
Italy. U.B. thanks the Alfred & Erica Larisch memorial chair. G.C.
acknowledges support by the EC under Graphene Flagship (contract no.
CNECT-ICT-604391). Y.B.S. acknowledges support by the Ministry of
Science, Technology and Space, Israel & the Camber Scholarship.
NR 40
TC 21
Z9 21
U1 52
U2 139
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10413
DI 10.1038/ncomms10413
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BP
UT WOS:000369022500004
PM 26783194
ER
PT J
AU Cao, YW
Liu, XR
Kareev, M
Choudhury, D
Middey, S
Meyers, D
Kim, JW
Ryan, PJ
Freeland, JW
Chakhalian, J
AF Cao, Yanwei
Liu, Xiaoran
Kareev, M.
Choudhury, D.
Middey, S.
Meyers, D.
Kim, J. -W.
Ryan, P. J.
Freeland, J. W.
Chakhalian, J.
TI Engineered Mott ground state in a LaTiO3+delta/LaNiO3 heterostructure
SO NATURE COMMUNICATIONS
LA English
DT Article
ID TRANSITION-METAL OXIDES; ORBITAL PHYSICS; INTERFACES; SPECTRA;
ELECTRONICS; EDGES; FILMS; TI
AB In pursuit of creating cuprate-like electronic and orbital structures, artificial heterostructures based on LaNiO3 have inspired a wealth of exciting experimental and theoretical results. However, to date there is a very limited experimental understanding of the electronic and orbital states emerging from interfacial charge transfer and their connections to the modified band structure at the interface. Towards this goal, we have synthesized a prototypical superlattice composed of a correlated metal LaNiO3 and a doped Mott insulator LaTiO3+delta, and investigated its electronic structure by resonant X-ray absorption spectroscopy combined with X-ray photoemission spectroscopy, electrical transport and theory calculations. The heterostructure exhibits interfacial charge transfer from Ti to Ni sites, giving rise to an insulating ground state with orbital polarization and e(g) orbital band splitting. Our findings demonstrate how the control over charge at the interface can be effectively used to create exotic electronic, orbital and spin states.
C1 [Cao, Yanwei; Liu, Xiaoran; Kareev, M.; Choudhury, D.; Middey, S.; Meyers, D.; Chakhalian, J.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
[Choudhury, D.] Indian Inst Technol, Dept Phys, Kharagpur 721302, W Bengal, India.
[Kim, J. -W.; Ryan, P. J.; Freeland, J. W.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Cao, YW (reprint author), Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA.
EM yc003@uark.edu
RI Chakhalian, Jak/F-2274-2015; Middey, Srimanta/D-9580-2013; Choudhury,
Debraj/B-3615-2013
OI Middey, Srimanta/0000-0001-5893-0946;
FU Department of Energy [DE-SC0012375]; Gordon and Betty Moore Foundation
EPiQS Initiative [GBMF4534]; DOD-ARO [0402-17291]; DOE Office of Science
by Argonne National Laboratory [DE-AC02-06CH11357]
FX We acknowledge numerous fruitful discussions with Andrew Millis and
Hanghui Chen. J.C. and X.L. were supported by the Department of Energy
grant DE-SC0012375 for synchrotron work at the Advanced Photon Source
and material synthesis. D.M. was primarily supported by the Gordon and
Betty Moore Foundation EPiQS Initiative through grant number GBMF4534.
Y.C. and S.M. were supported by the DOD-ARO under grant number
0402-17291. This research used resources of the Advanced Photon Source,
a US Department of Energy (DOE) Office of Science User Facility operated
for the DOE Office of Science by Argonne National Laboratory under
contract number DE-AC02-06CH11357.
NR 61
TC 10
Z9 10
U1 18
U2 43
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10418
DI 10.1038/ncomms10418
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BQ
UT WOS:000369022600001
PM 26791402
ER
PT J
AU Chen, K
Kapadia, R
Harker, A
Desai, S
Kang, JS
Chuang, S
Tosun, M
Sutter-Fella, CM
Tsang, M
Zeng, YP
Kiriya, D
Hazra, J
Madhvapathy, SR
Hettick, M
Chen, YZ
Mastandrea, J
Amani, M
Cabrini, S
Chueh, YL
Ager, JW
Chrzan, DC
Javey, A
AF Chen, Kevin
Kapadia, Rehan
Harker, Audrey
Desai, Sujay
Kang, Jeong Seuk
Chuang, Steven
Tosun, Mahmut
Sutter-Fella, Carolin M.
Tsang, Michael
Zeng, Yuping
Kiriya, Daisuke
Hazra, Jubin
Madhvapathy, Surabhi Rao
Hettick, Mark
Chen, Yu-Ze
Mastandrea, James
Amani, Matin
Cabrini, Stefano
Chueh, Yu-Lun
Ager, Joel W., III
Chrzan, Daryl C.
Javey, Ali
TI Direct growth of single-crystalline III-V semiconductors on amorphous
substrates
SO NATURE COMMUNICATIONS
LA English
DT Article
ID LIGHT-EMITTING-DIODES; BAND-TAIL PARAMETER; INTEGRATED-CIRCUITS;
INDIUM-PHOSPHIDE; INP; NANOWIRES; GAAS; PHOTOVOLTAICS; TRANSISTORS;
DEVICES
AB The III-V compound semiconductors exhibit superb electronic and optoelectronic properties. Traditionally, closely lattice-matched epitaxial substrates have been required for the growth of high-quality single-crystal III-V thin films and patterned microstructures. To remove this materials constraint, here we introduce a growth mode that enables direct writing of single-crystalline III-V's on amorphous substrates, thus further expanding their utility for various applications. The process utilizes templated liquid-phase crystal growth that results in user-tunable, patterned micro and nanostructures of single-crystalline III-V's of up to tens of micrometres in lateral dimensions. InP is chosen as a model material system owing to its technological importance. The patterned InP single crystals are configured as high-performance transistors and photodetectors directly on amorphous SiO2 growth substrates, with performance matching state-of-the-art epitaxially grown devices. The work presents an important advance towards universal integration of III-V's on application-specific substrates by direct growth.
C1 [Chen, Kevin; Kapadia, Rehan; Desai, Sujay; Kang, Jeong Seuk; Chuang, Steven; Tosun, Mahmut; Sutter-Fella, Carolin M.; Tsang, Michael; Zeng, Yuping; Kiriya, Daisuke; Madhvapathy, Surabhi Rao; Hettick, Mark; Amani, Matin; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[Chen, Kevin; Kapadia, Rehan; Harker, Audrey; Desai, Sujay; Kang, Jeong Seuk; Chuang, Steven; Tosun, Mahmut; Sutter-Fella, Carolin M.; Tsang, Michael; Zeng, Yuping; Kiriya, Daisuke; Madhvapathy, Surabhi Rao; Hettick, Mark; Mastandrea, James; Amani, Matin; Ager, Joel W., III; Chrzan, Daryl C.; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Harker, Audrey] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA.
[Hazra, Jubin] Univ So Calif, Dept Elect Engn, Los Angeles, CA 90089 USA.
[Chen, Yu-Ze; Chueh, Yu-Lun] Natl Tsing Hua Univ, Dept Mat Sci & Engn, Hsinchu 30013, Taiwan.
[Mastandrea, James; Chrzan, Daryl C.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Cabrini, Stefano] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Javey, A (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.; Javey, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
EM ajavey@berkeley.edu
RI Chueh, Yu-Lun/E-2053-2013;
OI Chueh, Yu-Lun/0000-0002-0155-9987; Sutter-Fella,
Carolin/0000-0002-7769-0869
FU Electronic Materials Program - Office of Science, Office of Basic Energy
Sciences, Material Sciences and Engineering Division of the U.S.
Department of Energy [DE-AC02-05CH11231]; Molecular Foundry
[DE-AC02-05CH11231]
FX This work was supported by the Electronic Materials Program, funded by
the Director, Office of Science, Office of Basic Energy Sciences,
Material Sciences and Engineering Division of the U.S. Department of
Energy under Contract No. DE-AC02-05CH11231. X-ray diffraction and
cross-sectional SEM imaging were performed at The Molecular Foundry
under Contract No. DE-AC02-05CH11231. We thank J. Bullock, D.-H. Lien,
H. Ota and M. Zheng for their help.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10502
DI 10.1038/ncomms10502
PG 6
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2CH
UT WOS:000369024300001
PM 26813257
ER
PT J
AU Cho, KR
Kim, YY
Yang, PC
Cai, W
Pan, HH
Kulak, AN
Lau, JL
Kulshreshtha, P
Armes, SP
Meldrum, FC
De Yoreo, JJ
AF Cho, Kang Rae
Kim, Yi-Yeoun
Yang, Pengcheng
Cai, Wei
Pan, Haihua
Kulak, Alexander N.
Lau, Jolene L.
Kulshreshtha, Prashant
Armes, Steven P.
Meldrum, Fiona C.
De Yoreo, James J.
TI Direct observation of mineral-organic composite formation reveals
occlusion mechanism
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CALCITE SINGLE-CRYSTALS; GROWTH; NANOPARTICLES; HYDROGELS; PROTEINS;
KINETICS; PARTICLE; DESIGN
AB Manipulation of inorganic materials with organic macromolecules enables organisms to create biominerals such as bones and seashells, where occlusion of biomacromolecules within individual crystals generates superior mechanical properties. Current understanding of this process largely comes from studying the entrapment of micron-size particles in cooling melts. Here, by investigating micelle incorporation in calcite with atomic force microscopy and micromechanical simulations, we show that different mechanisms govern nanoscale occlusion. By simultaneously visualizing the micelles and propagating step edges, we demonstrate that the micelles experience significant compression during occlusion, which is accompanied by cavity formation. This generates local lattice strain, leading to enhanced mechanical properties. These results give new insight into the formation of occlusions in natural and synthetic crystals, and will facilitate the synthesis of multifunctional nanocomposite crystals.
C1 [Cho, Kang Rae; Pan, Haihua; Lau, Jolene L.; Kulshreshtha, Prashant; De Yoreo, James J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Cho, Kang Rae] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
[Kim, Yi-Yeoun; Kulak, Alexander N.; Meldrum, Fiona C.] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England.
[Yang, Pengcheng; Armes, Steven P.] Univ Sheffield, Dept Chem, Brook Hill, Sheffield S3 7HF, S Yorkshire, England.
[Cai, Wei] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA.
[Pan, Haihua] Zhejiang Univ, Dept Chem, Hangzhou 310027, Zhejiang, Peoples R China.
[De Yoreo, James J.] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
RP Cho, KR; De Yoreo, JJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Cho, KR (reprint author), Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Phys & Life Sci Directorate, Livermore, CA 94550 USA.; Meldrum, FC (reprint author), Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England.; De Yoreo, JJ (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99352 USA.
EM kangraecho@lbl.gov; F.Meldrum@leeds.ac.uk; james.deyoreo@pnnl.gov
FU US Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences and Biosciences at Lawrence Berkeley
National Laboratory (LBNL) [DE-AC02-05CH11231]; Pacific Northwest
National Laboratory (PNNL) [DE-AC05-76RL01830]; National Institutes of
Health [DC011614]; Postdoctoral Program at Lawrence Livermore National
Laboratory - US Department of Energy [DE-AC52-07NA27344]; Engineering
and Physical Sciences Research Council (EPSRC) [EP/G00868X/1,
EP/K006304/1, EP/J018589/1]; EPSRC Leadership Fellowship [EP/H005374/1];
EPSRC [EP/J018589/1, EP/K006290/1]; ERC Advanced Investigator grant
[PISA 320372]
FX We thank Drs Qiaona Hu and Raymond Friddle for help with the AFM
experimental setup, Dr Debin Wang for help with the AFM analysis
software, Drs Dominik Ziegler and Paul Ashby for discussion about AFM
and Matthew Rames for help with editing the manuscript. Research on
micelle incorporation and deformation was performed under the auspices
of the US Department of Energy, Office of Basic Energy Sciences,
Division of Chemical Sciences, Geosciences and Biosciences at Lawrence
Berkeley National Laboratory (LBNL) under contract DE-AC02-05CH11231 and
the Pacific Northwest National Laboratory (PNNL), which is operated by
Battelle under Contract DE-AC05-76RL01830. Analysis of solution micelle
formation was supported by grant DC011614 from the National Institutes
of Health. AFM and DLS measurements were performed at the Molecular
Foundry, a National User Facility operated by LBNL on behalf of the US
Department of Energy, Office of Basic Energy Sciences. K.R.C.
acknowledges support from the Postdoctoral Program at Lawrence Livermore
National Laboratory, which is operated for the US Department of Energy
under Contract DE-AC52-07NA27344. We thank the Engineering and Physical
Sciences Research Council (EPSRC) for financial support via grants
EP/G00868X/1 and EP/K006304/1 (A.K. and F.C.M.) and EP/J018589/1 (Y-Y.K.
and F.C.M.). This work was also supported by an EPSRC Leadership
Fellowship (EP/H005374/1; F.C.M. and Y.Y.K.). S.P.A. acknowledges
support from EPSRC (EP/K006290/1 and EP/J018589/1) and also a 5-year ERC
Advanced Investigator grant (PISA 320372).
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10187
DI 10.1038/ncomms10187
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2ES
UT WOS:000369030600001
ER
PT J
AU Couradeau, E
Karaoz, U
Lim, HC
da Rocha, UN
Northen, T
Brodie, E
Garcia-Pichel, F
AF Couradeau, Estelle
Karaoz, Ulas
Lim, Hsiao Chien
da Rocha, Ulisses Nunes
Northen, Trent
Brodie, Eoin
Garcia-Pichel, Ferran
TI Bacteria increase arid-land soil surface temperature through the
production of sunscreens
SO NATURE COMMUNICATIONS
LA English
DT Article
ID COLORADO PLATEAU; CLIMATE-CHANGE; DESERT CRUSTS; ALBEDO; CYANOBACTERIA;
COMMUNITIES; EXOPOLYSACCHARIDES; DESERTIFICATION; SCYTONEMIN; FEEDBACKS
AB Soil surface temperature, an important driver of terrestrial biogeochemical processes, depends strongly on soil albedo, which can be significantly modified by factors such as plant cover. In sparsely vegetated lands, the soil surface can be colonized by photosynthetic microbes that build biocrust communities. Here we use concurrent physical, biochemical and microbiological analyses to show that mature biocrusts can increase surface soil temperature by as much as 10 degrees C through the accumulation of large quantities of a secondary metabolite, the microbial sunscreen scytonemin, produced by a group of late-successional cyanobacteria. Scytonemin accumulation decreases soil albedo significantly. Such localized warming has apparent and immediate consequences for the soil microbiome, inducing the replacement of thermosensitive bacterial species with more thermotolerant forms. These results reveal that not only vegetation but also microorganisms are a factor in modifying terrestrial albedo, potentially impacting biosphere feedbacks on past and future climate, and call for a direct assessment of such effects at larger scales.
C1 [Couradeau, Estelle; Garcia-Pichel, Ferran] Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA.
[Karaoz, Ulas; Lim, Hsiao Chien; da Rocha, Ulisses Nunes; Brodie, Eoin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci, Berkeley, CA 94720 USA.
[Northen, Trent; Garcia-Pichel, Ferran] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol, Berkeley, CA 94720 USA.
[Brodie, Eoin] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.
[da Rocha, Ulisses Nunes] Vrij Univ, Dept Mol Cell Physiol, NL-1081 HV Amsterdam, Netherlands.
RP Couradeau, E; Garcia-Pichel, F (reprint author), Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA.; Garcia-Pichel, F (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Genom & Syst Biol, Berkeley, CA 94720 USA.
EM ecourade@asu.edu; Ferran@asu.edu
RI Brodie, Eoin/A-7853-2008; Karaoz, Ulas/J-7093-2014;
OI Brodie, Eoin/0000-0002-8453-8435; Northen, Trent/0000-0001-8404-3259
FU Department of Energy, Office of Science; National Science Foundation
(NSF-Biodiversity Surveys and Inventories); Laboratory Directed Research
and Development Program; DOE Early Career Research Program - US
Department of Energy, Office of Science, Office of Biological and
Environmental Research [DE-AC02-05CH11231]; ASU/LBNL Co-laboratory
funds; Marie-Curie postdoctoral stipend from the European Commission
FX This work was supported by the Department of Energy, Office of Science
and by the National Science Foundation (NSF-Biodiversity Surveys and
Inventories) to F.G.-P. Work at Lawrence Berkeley National Laboratory
was supported by the Laboratory Directed Research and Development
Program, and the DOE Early Career Research Program (to T.R.N.) supported
by the US Department of Energy, Office of Science, Office of Biological
and Environmental Research, under contract number DE-AC02-05CH11231.
E.C. was supported by ASU/LBNL Co-laboratory funds, and by a Marie-Curie
postdoctoral stipend from the European Commission (to E.C.).
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10373
DI 10.1038/ncomms10373
PG 7
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BL
UT WOS:000369022100010
PM 26785770
ER
PT J
AU Eloe-Fadrosh, EA
Paez-Espino, D
Jarett, J
Dunfield, PF
Hedlund, BP
Dekas, AE
Grasby, SE
Brady, AL
Dong, HL
Briggs, BR
Li, WJ
Goudeau, D
Malmstrom, R
Pati, A
Pett-Ridge, J
Rubin, EM
Woyke, T
Kyrpides, NC
Ivanova, NN
AF Eloe-Fadrosh, Emiley A.
Paez-Espino, David
Jarett, Jessica
Dunfield, Peter F.
Hedlund, Brian P.
Dekas, Anne E.
Grasby, Stephen E.
Brady, Allyson L.
Dong, Hailiang
Briggs, Brandon R.
Li, Wen-Jun
Goudeau, Danielle
Malmstrom, Rex
Pati, Amrita
Pett-Ridge, Jennifer
Rubin, Edward M.
Woyke, Tanja
Kyrpides, Nikos C.
Ivanova, Natalia N.
TI Global metagenomic survey reveals a new bacterial candidate phylum in
geothermal springs
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CRISPR-CAS SYSTEMS; MULTIPLE SEQUENCE ALIGNMENT; MIXED MODELS;
GREAT-BASIN; HOT-SPRINGS; GENOME; DIVERSITY; EVOLUTION; ARCHAEA; DOMAIN
AB Analysis of the increasing wealth of metagenomic data collected from diverse environments can lead to the discovery of novel branches on the tree of life. Here we analyse 5.2 Tb of metagenomic data collected globally to discover a novel bacterial phylum ('Candidatus Kryptonia') found exclusively in high-temperature pH-neutral geothermal springs. This lineage had remained hidden as a taxonomic 'blind spot' because of mismatches in the primers commonly used for ribosomal gene surveys. Genome reconstruction from metagenomic data combined with single-cell genomics results in several high-quality genomes representing four genera from the new phylum. Metabolic reconstruction indicates a heterotrophic lifestyle with conspicuous nutritional deficiencies, suggesting the need for metabolic complementarity with other microbes. Co-occurrence patterns identifies a number of putative partners, including an uncultured Armatimonadetes lineage. The discovery of Kryptonia within previously studied geothermal springs underscores the importance of globally sampled metagenomic data in detection of microbial novelty, and highlights the extraordinary diversity of microbial life still awaiting discovery.
C1 [Eloe-Fadrosh, Emiley A.; Paez-Espino, David; Jarett, Jessica; Goudeau, Danielle; Malmstrom, Rex; Pati, Amrita; Rubin, Edward M.; Woyke, Tanja; Kyrpides, Nikos C.; Ivanova, Natalia N.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.
[Dunfield, Peter F.] Univ Calgary, Dept Biol Sci, Calgary, AB T2N 1N4, Canada.
[Hedlund, Brian P.] Univ Nevada, Sch Life Sci, Las Vegas, NV 89154 USA.
[Dekas, Anne E.; Pett-Ridge, Jennifer] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Grasby, Stephen E.] Geol Survey Canada, Calgary, AB T2L 2A7, Canada.
[Brady, Allyson L.] McMaster Univ, Sch Geog & Earth Sci, Hamilton, ON L8S 4L8, Canada.
[Dong, Hailiang] Miami Univ, Dept Geol & Environm Earth Sci, Oxford, OH 45056 USA.
[Briggs, Brandon R.] Univ Alaska Anchorage, Dept Biol Sci, Anchorage, AK 99508 USA.
[Li, Wen-Jun] Sun Yat Sen Univ, Sch Life Sci, Guangzhou 510275, Guangdong, Peoples R China.
[Rubin, Edward M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Ivanova, NN (reprint author), Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA.
EM nnivanova@lbl.gov
RI Kyrpides, Nikos/A-6305-2014;
OI Kyrpides, Nikos/0000-0002-6131-0462; Grasby,
Stephen/0000-0002-3910-4443; Ivanova, Natalia/0000-0002-5802-9485
FU DOE Office of Science User Facility [DE-AC02-05CH11231]; Office of
Science of the US Department of Energy [DE-AC02-05CH11231]; US
Department of Energy (DOE) [DE-EE-0000716]; US Department of Energy
Joint Genome Institute [CSP-182]; NASA Exobiology grant
[EXO-NNX11AR78G]; US National Science Foundation [OISE 0968421]; Key
Project of International Cooperation by the Chinese Ministry of Science
and Technology (MOST) [2013DFA31980]; Genome Canada; Genome Alberta;
Genome BC; Government of Alberta (GC) [1203]; DOE [DE-AC52-07NA27344];
Lawrence Fellowship
FX We thank the DOE JGI production sequencing, IMG and Genomes OnLine
Database teams for their support, along with Steven Quake for
metagenomic sequencing and assembly of the Jinze and Gongxiaoshe
samples. We thank BC Parks and the Ktunaxa Nation for their cooperation
on the Dewar Creek spring. This work was conducted by the US Department
of Energy Joint Genome Institute, a DOE Office of Science User Facility,
under Contract No. DE-AC02-05CH11231 and used resources of the National
Energy Research Scientific Computing Center, which is supported by the
Office of Science of the US Department of Energy under Contract No.
DE-AC02-05CH11231. This work was also supported by the US Department of
Energy (DOE) grant DE-EE-0000716; the US Department of Energy Joint
Genome Institute (CSP-182); NASA Exobiology grant EXO-NNX11AR78G; the US
National Science Foundation grant OISE 0968421; Key Project of
International Cooperation by the Chinese Ministry of Science and
Technology (MOST, 2013DFA31980); B.P.H. acknowledges generous support
from Greg Fullmer through the UNLV Foundation. Metagenome analysis of
Dewar Creek was supported in part by funding from Genome Canada, Genome
Alberta, Genome BC and the Government of Alberta (GC Grant 1203). Work
at LLNL was conducted under the auspices of DOE Contract
DE-AC52-07NA27344 and supported by a Lawrence Fellowship to A.E.D.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10476
DI 10.1038/ncomms10476
PG 10
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AJ
UT WOS:000369019300004
PM 26814032
ER
PT J
AU Liu, YH
Konik, RM
Rice, TM
Zhang, FC
AF Liu, Ye-Hua
Konik, Robert M.
Rice, T. M.
Zhang, Fu-Chun
TI Giant phonon anomaly associated with superconducting fluctuations in the
pseudogap phase of cuprates
SO NATURE COMMUNICATIONS
LA English
DT Article
ID HUBBARD-MODEL; YBA2CU4O8; ORDER; ONSET; STATE
AB The pseudogap in underdoped cuprates leads to significant changes in the electronic structure, and was later found to be accompanied by anomalous fluctuations of superconductivity and certain lattice phonons. Here we propose that the Fermi surface breakup due to the pseudogap, leads to a breakup of the pairing order into two weakly coupled sub-band amplitudes, and a concomitant low energy Leggett mode due to phase fluctuations between them. This increases the temperature range of superconducting fluctuations containing an overdamped Leggett mode. In this range inter-sub-band phonons show strong damping due to resonant scattering into an intermediate state with a pair of overdamped Leggett modes. In the ordered state, the Leggett mode develops a finite energy, changing the anomalous phonon damping into an anomaly in the dispersion. This proposal explains the intrinsic connection between the anomalous pseudogap phase, enhanced superconducting fluctuations and giant anomalies in the phonon spectra.
C1 [Liu, Ye-Hua; Rice, T. M.] Swiss Fed Inst Technol, Theoret Phys, CH-8093 Zurich, Switzerland.
[Konik, Robert M.; Rice, T. M.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Zhang, Fu-Chun] Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China.
[Zhang, Fu-Chun] Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
RP Rice, TM (reprint author), Swiss Fed Inst Technol, Theoret Phys, CH-8093 Zurich, Switzerland.; Rice, TM (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.; Zhang, FC (reprint author), Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China.; Zhang, FC (reprint author), Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
EM rice@phys.ethz.ch; fuchun@hku.hk
RI Konik, Robert/L-8076-2016
OI Konik, Robert/0000-0003-1209-6890
FU ERC Advanced Grant SIMCOFE; US DOE [DE-AC02-98 CH 10886]; NSFC
[11274269]; National Basic Research Program of China [2014CB921203]
FX We would like to acknowledge Manfred Sigrist, Alexei Tsvelik, Johan
Chang, Wei-Qiang Chen, Jan Gukelberger, Dirk Manske, Mathieu Le Tacon,
Matthias Troyer, Lei Wang, Shizhong Zhang and Yi Zhou for helpful
discussions. Y.-H.L. is supported by ERC Advanced Grant SIMCOFE. R.M.K.
and visits to Brookhaven Natl. Lab. by Y.-H.L. and T.M.R. are supported
by the US DOE under contract number DE-AC02-98 CH 10886. F.-C.Z. is
partly supported by NSFC grant 11274269 and National Basic Research
Program of China (No. 2014CB921203).
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10378
DI 10.1038/ncomms10378
PG 6
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BL
UT WOS:000369022100015
PM 26785835
ER
PT J
AU Shekhawat, A
Ritchie, RO
AF Shekhawat, Ashivni
Ritchie, Robert O.
TI Toughness and strength of nanocrystalline graphene
SO NATURE COMMUNICATIONS
LA English
DT Article
ID POLYCRYSTALLINE GRAPHENE; STATISTICAL-MODEL; GRAIN-BOUNDARIES; FRACTURE;
SIZE; FAILURE; NANOINDENTATION; HYDROCARBONS; MEMBRANES; CLEAVAGE
AB Pristine monocrystalline graphene is claimed to be the strongest material known with remarkable mechanical and electrical properties. However, graphene made with scalable fabrication techniques is polycrystalline and contains inherent nanoscale line and point defects-grain boundaries and grain-boundary triple junctions-that lead to significant statistical fluctuations in toughness and strength. These fluctuations become particularly pronounced for nanocrystalline graphene where the density of defects is high. Here we use large-scale simulation and continuum modelling to show that the statistical variation in toughness and strength can be understood with 'weakest-link' statistics. We develop the first statistical theory of toughness in polycrystalline graphene, and elucidate the nanoscale origins of the grain-size dependence of its strength and toughness. Our results should lead to more reliable graphene device design, and provide a framework to interpret experimental results in a broad class of two-dimensional materials.
C1 [Shekhawat, Ashivni; Ritchie, Robert O.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Shekhawat, Ashivni; Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, 324 Hearst Mem Min Bldg,MC 1760, Berkeley, CA 94720 USA.
[Shekhawat, Ashivni] Miller Inst Basic Res Sci, Berkeley, CA 94720 USA.
RP Shekhawat, A; Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Shekhawat, A; Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, 324 Hearst Mem Min Bldg,MC 1760, Berkeley, CA 94720 USA.; Shekhawat, A (reprint author), Miller Inst Basic Res Sci, Berkeley, CA 94720 USA.
EM shekhawat.ashivni@gmail.com; roritchie@lbl.gov
RI Ritchie, Robert/A-8066-2008
OI Ritchie, Robert/0000-0002-0501-6998
FU Mechanical Behaviour of Materials Program at the Lawrence Berkeley
National Laboratory - U.S. Department of Energy, Office of Science,
Office of Basic Energy Sciences, Materials Sciences and Engineering
Division [KC13, DE-AC02-05CH11231]; Miller Institute for Basic Research
in Science, at the University of California, Berkeley
FX This work was supported by the Mechanical Behaviour of Materials Program
(KC13) at the Lawrence Berkeley National Laboratory, funded by the U.S.
Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division, under Contract
No. DE-AC02-05CH11231. A.S. acknowledges financial support from the
Miller Institute for Basic Research in Science, at the University of
California, Berkeley, in the form of a Miller Research Fellowship.
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PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10546
DI 10.1038/ncomms10546
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2CR
UT WOS:000369025300002
PM 26817712
ER
PT J
AU Shih, PM
Occhialini, A
Cameron, JC
Andralojc, PJ
Parry, MAJ
Kerfeld, CA
AF Shih, Patrick M.
Occhialini, Alessandro
Cameron, Jeffrey C.
Andralojc, P. John
Parry, Martin A. J.
Kerfeld, Cheryl A.
TI Biochemical characterization of predicted Precambrian RuBisCO
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CO2 CONCENTRATING MECHANISMS; BISPHOSPHATE CARBOXYLASE OXYGENASE;
SUBSTRATE-SPECIFICITY FACTOR; RIBULOSE-1,5-BISPHOSPHATE CARBOXYLASE;
MAXIMUM-LIKELIHOOD; ATMOSPHERIC CO2; CARBON-DIOXIDE; EVOLUTION;
PROTEINS; PLANTS
AB The antiquity and global abundance of the enzyme, RuBisCO, attests to the crucial and longstanding role it has played in the biogeochemical cycles of Earth over billions of years. The counterproductive oxygenase activity of RuBisCO has persisted over billions of years of evolution, despite its competition with the carboxylase activity necessary for carbon fixation, yet hypotheses regarding the selective pressures governing RuBisCO evolution have been limited to speculation. Here we report the resurrection and biochemical characterization of ancestral RuBisCOs, dating back to over one billion years ago (Gyr ago). Our findings provide an ancient point of reference revealing divergent evolutionary paths taken by eukaryotic homologues towards improved specificity for CO2, versus the evolutionary emphasis on increased rates of carboxylation observed in bacterial homologues. Consistent with these distinctions, in vivo analysis reveals the propensity of ancestral RuBisCO to be encapsulated into modern-day carboxysomes, bacterial organelles central to the cyanobacterial CO2 concentrating mechanism.
C1 [Shih, Patrick M.; Cameron, Jeffrey C.; Kerfeld, Cheryl A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.
[Occhialini, Alessandro; Andralojc, P. John; Parry, Martin A. J.] Rothamsted Res, Dept Plant Biol & Crop Sci, Harpenden AL5 2JQ, Herts, England.
[Parry, Martin A. J.] Univ Lancaster, Lancaster Environm Ctr, Lancaster, England.
[Kerfeld, Cheryl A.] Michigan State Univ, DOE Plant Res Labs, Dept Biochem & Mol Biol, E Lansing, MI USA.
[Kerfeld, Cheryl A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
[Shih, Patrick M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
RP Shih, PM; Kerfeld, CA (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.; Kerfeld, CA (reprint author), Michigan State Univ, DOE Plant Res Labs, Dept Biochem & Mol Biol, E Lansing, MI USA.; Kerfeld, CA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.; Shih, PM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Berkeley, CA 94720 USA.
EM pmshih@gmail.com; ckerfeld@lbl.gov
OI Parry, Martin/0000-0002-4477-672X
FU NSF [MCB0851054, EF 1105897]; ARPA-E [DE-0000200]; BBSRC 20:20 Wheat
Institute Strategic Program (BBSRC) [BB/J/00426X/1 20:20 Wheat]; BBSRC
[BB/I002545/1, BB/I017372/1, BB/1024488/1]
FX We thank the Hayer-Hartl Lab for providing the pBAD33ES/EL vector. We
thank Dr Kathleen Scott for providing the pET101/D-TOPO MIT9313 cbbL/S
vector for expressing the Prochlorococcus RuBisCO in E. coli. P.M.S.,
J.C.C. and C.A.K. were supported by the NSF (MCB0851054, C.A.K. and
P.M.S.; EF 1105897, C.A.K. and J.C.C.) and ARPA-E DE-0000200. A.O.,
P.J.A. and M.A.J.P. are supported by the BBSRC 20:20 Wheat Institute
Strategic Program (BBSRC BB/J/00426X/1 20:20 Wheat) and BBSRC
BB/I002545/1, BB/I017372/1. P.J.A., M.A.J.P. and A.O. acknowledge
support through BBSRC BB/1024488/1.
NR 63
TC 5
Z9 5
U1 4
U2 24
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10382
DI 10.1038/ncomms10382
PG 11
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AI
UT WOS:000369019200001
PM 26790750
ER
PT J
AU Shuai, M
Klittnick, A
Shen, Y
Smith, GP
Tuchband, MR
Zhu, C
Petschek, RG
Mertelj, A
Lisjak, D
Copic, M
Maclennan, JE
Glaser, MA
Clark, NA
AF Shuai, M.
Klittnick, A.
Shen, Y.
Smith, G. P.
Tuchband, M. R.
Zhu, C.
Petschek, R. G.
Mertelj, A.
Lisjak, D.
Copic, M.
Maclennan, J. E.
Glaser, M. A.
Clark, N. A.
TI Spontaneous liquid crystal and ferromagnetic ordering of colloidal
magnetic nanoplates
SO NATURE COMMUNICATIONS
LA English
DT Article
ID NEMATIC-ISOTROPIC TRANSITION; SUSPENSIONS; PLATELETS; PARTICLES;
SYSTEMS; FLUID; PHASE; FERROFLUIDS; STABILITY; DIPOLAR
AB Ferrofluids are familiar as colloidal suspensions of ferromagnetic nanoparticles in aqueous or organic solvents. The dispersed particles are randomly oriented but their moments become aligned if a magnetic field is applied, producing a variety of exotic and useful magnetomechanical effects. A longstanding interest and challenge has been to make such suspensions macroscopically ferromagnetic, that is having uniform magnetic alignment in the absence of a field. Here we report a fluid suspension of magnetic nanoplates that spontaneously aligns into an equilibrium nematic liquid crystal phase that is also macroscopically ferromagnetic. Its zero-field magnetization produces distinctive magnetic self-interaction effects, including liquid crystal textures of fluid block domains arranged in closed flux loops, and makes this phase highly sensitive, with it dramatically changing shape even in the Earth's magnetic field.
C1 [Shuai, M.; Klittnick, A.; Shen, Y.; Smith, G. P.; Tuchband, M. R.; Maclennan, J. E.; Glaser, M. A.; Clark, N. A.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA.
[Shuai, M.; Klittnick, A.; Shen, Y.; Smith, G. P.; Tuchband, M. R.; Maclennan, J. E.; Glaser, M. A.; Clark, N. A.] Univ Colorado, Soft Mat Res Ctr, Boulder, CO 80309 USA.
[Zhu, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Petschek, R. G.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA.
[Mertelj, A.; Lisjak, D.; Copic, M.] Jozef Stefan Inst, SI-1000 Ljubljana, Slovenia.
[Copic, M.] Univ Ljubljana, Fac Math & Phys, SI-1000 Ljubljana, Slovenia.
RP Clark, NA (reprint author), Univ Colorado, Dept Phys, Boulder, CO 80309 USA.; Clark, NA (reprint author), Univ Colorado, Soft Mat Res Ctr, Boulder, CO 80309 USA.
EM Noel.Clark@colorado.edu
RI Glaser, Matthew/H-2345-2016; Clark, Noel/E-9011-2010; Mertelj,
Alenka/C-6209-2011; Lisjak, Darja/Q-7474-2016;
OI Glaser, Matthew/0000-0002-8366-5598; Mertelj,
Alenka/0000-0002-2766-9121; Lisjak, Darja/0000-0003-4154-4592; Tuchband,
Michael/0000-0001-6560-1913
FU Soft Materials Research Center under NSF MRSEC [DMR-0820579,
DMR-1420736]; Institute for Complex Adaptive Matter Postdoctoral
Fellowship Award [OCG5711B]; Slovenian Research Agency [P1-0192,
P2-0089-4]; Office of Science and Office of Basic Energy Sciences of the
US Department of Energy [DE-AC02-05CH11231]
FX This work was supported by the Soft Materials Research Center under NSF
MRSEC Grants DMR-0820579 and DMR-1420736, by the Institute for Complex
Adaptive Matter Postdoctoral Fellowship Award OCG5711B and by Slovenian
Research Agency Grants P1-0192 and P2-0089-4. The synchrotron X-ray
experiments were supported by the Director of the Office of Science and
Office of Basic Energy Sciences of the US Department of Energy under
Contract No. DE-AC02-05CH11231.
NR 37
TC 3
Z9 3
U1 15
U2 47
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10394
DI 10.1038/ncomms10394
PG 8
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2BM
UT WOS:000369022200003
PM 26817823
ER
PT J
AU Vasseur, G
Fagot-Revurat, Y
Sicot, M
Kierren, B
Moreau, L
Malterre, D
Cardenas, L
Galeotti, G
Lipton-Duffin, J
Rosei, F
Di Giovannantonio, M
Contini, G
Le Fevre, P
Bertran, F
Liang, LB
Meunier, V
Perepichka, DF
AF Vasseur, Guillaume
Fagot-Revurat, Yannick
Sicot, Muriel
Kierren, Bertrand
Moreau, Luc
Malterre, Daniel
Cardenas, Luis
Galeotti, Gianluca
Lipton-Duffin, Josh
Rosei, Federico
Di Giovannantonio, Marco
Contini, Giorgio
Le Fevre, Patrick
Bertran, Francois
Liang, Liangbo
Meunier, Vincent
Perepichka, Dmitrii F.
TI Quasi one-dimensional band dispersion and surface metallization in
long-range ordered polymeric wires
SO NATURE COMMUNICATIONS
LA English
DT Article
ID CONFINED ULLMANN POLYMERIZATION; BOTTOM-UP FABRICATION; GRAPHENE
NANORIBBONS; ELECTRONIC-STRUCTURE; ORGANOMETALLIC INTERMEDIATE;
CONJUGATED POLYMERS; COUPLING REACTION; MOLECULAR WIRES; COINAGE METALS;
EVOLUTION
AB On-surface covalent self-assembly of organic molecules is a very promising bottom-up approach for producing atomically controlled nanostructures. Due to their highly tuneable properties, these structures may be used as building blocks in electronic carbon-based molecular devices. Following this idea, here we report on the electronic structure of an ordered array of poly(para-phenylene) nanowires produced by surface-catalysed dehalogenative reaction. By scanning tunnelling spectroscopy we follow the quantization of unoccupied molecular states as a function of oligomer length, with Fermi level crossing observed for long chains. Angle-resolved photoelectron spectroscopy reveals a quasi-1D valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the band structure, including the gap size and charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour.
C1 [Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; Kierren, Bertrand; Moreau, Luc; Malterre, Daniel] Univ Lorraine, CNRS, Inst Jean Lamour, UMR 7198, BP 70239, F-54506 Vandoeuvre Les Nancy, France.
[Cardenas, Luis; Galeotti, Gianluca; Lipton-Duffin, Josh; Rosei, Federico] Inst Natl Rech Sci, Ctr Energie Mat & Telecommun, 1650 Blvd Lionel Boulet, Varennes, PQ J3X 1S2, Canada.
[Cardenas, Luis] Inst Rech Catalyse & Environm Lyon, IRCELYON, F-69626 Villeurbanne, France.
[Lipton-Duffin, Josh] Queensland Univ Technol, Inst Future Environm, 2 George St, Brisbane, Qld 4001, Australia.
[Rosei, Federico] Univ Elect Sci & Technol China, Inst Fundamental & Frontier Sci, Chengdu 610054, Peoples R China.
[Di Giovannantonio, Marco; Contini, Giorgio] CNR, Inst Struttura Mat, Via Fosso del Cavaliere 100, I-00133 Rome, Italy.
[Contini, Giorgio] Univ Roma Tor Vergata, Dept Phys, Via Ric Sci 1, I-00133 Rome, Italy.
[Le Fevre, Patrick; Bertran, Francois] Synchrotron SOLEIL, LOrme Merisiers, BP 48, F-91192 Gif Sur Yvette, France.
[Liang, Liangbo; Meunier, Vincent] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA.
[Liang, Liangbo] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Perepichka, Dmitrii F.] McGill Univ, Dept Chem, 801 Sherbrooke St W, Montreal, PQ H3A 0B8, Canada.
RP Fagot-Revurat, Y (reprint author), Univ Lorraine, CNRS, Inst Jean Lamour, UMR 7198, BP 70239, F-54506 Vandoeuvre Les Nancy, France.
EM yannick.fagot@univ-lorraine.fr
RI BERTRAN, Francois/B-7515-2008; Liang, Liangbo/H-4486-2011;
Lipton-Duffin, Josh/P-1595-2016
OI BERTRAN, Francois/0000-0002-2416-0514; Liang,
Liangbo/0000-0003-1199-0049; Lipton-Duffin, Josh/0000-0002-7280-4919
FU Conseil Franco-Quebecois de Cooperation Universitaire; France-Italie
International Program of Scientific Cooperation (PICS-CNRS); NSERC
Discovery Grants; FRQNT team grant; MEIE project; NSERC; Elsevier; FRSQ;
New York State under NYSTAR program [C080117]; Office of Naval Research;
Eugene P. Wigner Fellowship at Oak Ridge National Laboratory
FX This work is supported by the Conseil Franco-Quebecois de Cooperation
Universitaire and the France-Italie International Program of Scientific
Cooperation (PICS-CNRS). D.F.P. and F.R. are supported by NSERC
Discovery Grants as well as an FRQNT team grant and an MEIE project
(collaboration with Belgium). F.R. acknowledges NSERC for an EWR Steacie
Memorial Fellowship and Elsevier for a grant from Applied Surface
Science. L.C. acknowledges partial salary support through a personal
fellowship from FRSQ. The theoretical work at Rensselaer Polytechnic
Institute (RPI) was supported by New York State under NYSTAR program
C080117 and the Office of Naval Research. L.L. was supported by Eugene
P. Wigner Fellowship at Oak Ridge National Laboratory.
NR 63
TC 11
Z9 11
U1 22
U2 76
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10235
DI 10.1038/ncomms10235
PG 9
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AS
UT WOS:000369020200002
PM 26725974
ER
PT J
AU Xu, T
Walter, EC
Agrawal, A
Bohn, C
Velmurugan, J
Zhu, WQ
Lezec, HJ
Talin, AA
AF Xu, Ting
Walter, Erich C.
Agrawal, Amit
Bohn, Christopher
Velmurugan, Jeyavel
Zhu, Wenqi
Lezec, Henri J.
Talin, A. Alec
TI High-contrast and fast electrochromic switching enabled by plasmonics
SO NATURE COMMUNICATIONS
LA English
DT Article
ID ROLL-TO-ROLL; NANOIMPRINT LITHOGRAPHY; PHOTONIC-CRYSTAL; COLOR FILTERS;
HOLE ARRAYS; THIN-FILMS; DEVICES; DISPLAYS; POLYMERS; ELECTROLUMINESCENT
AB With vibrant colours and simple, room-temperature processing methods, electrochromic polymers have attracted attention as active materials for flexible, low-power-consuming devices. However, slow switching speeds in devices realized to date, as well as the complexity of having to combine several distinct polymers to achieve a full-colour gamut, have limited electrochromic materials to niche applications. Here we achieve fast, high-contrast electrochromic switching by significantly enhancing the interaction of light-propagating as deep-subwavelength-confined surface plasmon polaritons through arrays of metallic nanoslits, with an electrochromic polymer-present as an ultra-thin coating on the slit sidewalls. The switchable configuration retains the short temporal charge-diffusion characteristics of thin electrochromic films, while maintaining the high optical contrast associated with thicker electrochromic coatings. We further demonstrate that by controlling the pitch of the nanoslit arrays, it is possible to achieve a full-colour response with high contrast and fast switching speeds, while relying on just one electrochromic polymer.
C1 [Xu, Ting] Nanjing Univ, Coll Engn & Appl Sci, Natl Lab Solid State Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.
[Xu, Ting] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.
[Xu, Ting; Walter, Erich C.; Agrawal, Amit; Bohn, Christopher; Velmurugan, Jeyavel; Zhu, Wenqi; Lezec, Henri J.; Talin, A. Alec] NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.
[Xu, Ting; Walter, Erich C.; Agrawal, Amit; Velmurugan, Jeyavel; Zhu, Wenqi] Univ Maryland, Maryland Nanoctr, College Pk, MD 20742 USA.
[Talin, A. Alec] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Xu, T (reprint author), Nanjing Univ, Coll Engn & Appl Sci, Natl Lab Solid State Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.; Xu, T (reprint author), Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, 22 Hankou Rd, Nanjing 210093, Jiangsu, Peoples R China.; Xu, T; Lezec, HJ; Talin, AA (reprint author), NIST, Ctr Nanoscale Sci & Technol, Gaithersburg, MD 20899 USA.; Xu, T (reprint author), Univ Maryland, Maryland Nanoctr, College Pk, MD 20742 USA.; Talin, AA (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM xuting@nju.edu.cn; henri.lezec@nist.gov; aatalin@sandia.gov
FU University of Maryland [70NANB10H193]; National Institute of Standards
and Technology, Center for Nanoscale Science and Technology through the
University of Maryland [70NANB10H193]; Nanostructures for Electrical
Energy Storage (NEES), an Energy Frontier Research Center - U.S.
Department of Energy, Office of Science, Basic Energy Sciences
[DESC0001160]; U.S. DOE National Nuclear Security Administration
[DE-AC04-94AL85000]; Thousand Talents Program for Young Professionals,
Collaborative Innovations Center of Advanced Microstructures;
Fundamental Research Funds for the Central Universities
FX T.X., E.C. W., A. A., J.V. and W.Z. acknowledge support under the
Cooperative Research Agreement between the University of Maryland and
the National Institute of Standards and Technology, Center for Nanoscale
Science and Technology, Award 70NANB10H193, through the University of
Maryland. A.A.T. was supported by the Nanostructures for Electrical
Energy Storage (NEES), an Energy Frontier Research Center funded by the
U.S. Department of Energy, Office of Science, Basic Energy Sciences
under Award number DESC0001160. Sandia is a multi-programme laboratory
operated by Sandia Corporation, a Lockheed Martin Company, for the U.S.
DOE National Nuclear Security Administration under Contract
DE-AC04-94AL85000. T.X. acknowledges support from the Thousand Talents
Program for Young Professionals, Collaborative Innovations Center of
Advanced Microstructures and the Fundamental Research Funds for the
Central Universities.
NR 39
TC 7
Z9 7
U1 45
U2 135
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 2041-1723
J9 NAT COMMUN
JI Nat. Commun.
PD JAN
PY 2016
VL 7
AR 10479
DI 10.1038/ncomms10479
PG 6
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DC2AJ
UT WOS:000369019300007
PM 26814453
ER
PT J
AU Keereetaweep, J
Chapman, KD
AF Keereetaweep, Jantana
Chapman, Kent D.
TI Lipidomic Analysis of Endocannabinoid Signaling: Targeted Metabolite
Identification and Quantification
SO NEURAL PLASTICITY
LA English
DT Review
ID TANDEM MASS-SPECTROMETRY; ACID AMIDE HYDROLASE; RAT-BRAIN TISSUE; ACYL
AMINO-ACIDS; N-ACYLETHANOLAMINES; HUMAN PLASMA; CANNABINOID RECEPTOR;
ENDOGENOUS CANNABINOIDS; ELECTROSPRAY-IONIZATION; INTRAOCULAR-PRESSURE
AB The endocannabinoids N-arachidonoylethanolamide (or anandamide, AEA) and 2-arachidonoylglycerol (2-AG) belong to the larger groups of N-acylethanolamines (NAEs) and monoacylglycerol (MAG) lipid classes, respectively. They are biologically active lipid molecules that activate G-protein-coupled cannabinoid receptors found in various organisms. After AEA and 2-AG were discovered in the 1990s, they have been extensively documented to have a broad range of physiological functions. Along with AEA, several NAEs, for example, N-palmitoylethanolamine (PEA), N-stearoylethanolamine (SEA), and N-oleoylethanolamine (OEA) are also present in tissues, usually at much larger concentrations than AEA. Any perturbation that involves the endocannabinoid pathway may subsequently alter basal level or metabolism of these lipid mediators. Further, the altered levels of these molecules often reflect pathological conditions associated with tissue damage. Robust and sensitive methodologies to analyze these lipid mediators are essential to understanding how they act as endocannabinoids. The recent advances in mass spectrometry allow researchers to develop lipidomics approaches and several methodologies have been proposed to quantify endocannabinoids in various biological systems.
C1 [Keereetaweep, Jantana; Chapman, Kent D.] Univ N Texas, Dept Biol Sci, Ctr Plant Lipid Res, Denton, TX 76203 USA.
[Keereetaweep, Jantana] Brookhaven Natl Lab, 50 Bell Ave,Bldg 463,POB 5000, Upton, NY 11973 USA.
RP Chapman, KD (reprint author), Univ N Texas, Dept Biol Sci, Ctr Plant Lipid Res, Denton, TX 76203 USA.
EM chapman@unt.edu
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences
program [DE-FG02-05ER15647]
FX The authors' work on N-acylethanolamine analyses has been supported by a
grant from the U.S. Department of Energy, Office of Science, Basic
Energy Sciences program (DE-FG02-05ER15647).
NR 92
TC 0
Z9 0
U1 1
U2 5
PU HINDAWI LTD
PI LONDON
PA ADAM HOUSE, 3RD FLR, 1 FITZROY SQ, LONDON, WIT 5HE, ENGLAND
SN 2090-5904
EI 1687-5443
J9 NEURAL PLAST
JI Neural. Plast.
PY 2016
AR 2426398
DI 10.1155/2016/2426398
PG 13
WC Neurosciences
SC Neurosciences & Neurology
GA DB9TI
UT WOS:000368859400001
ER
PT J
AU Capote, R
Chen, YJ
Hambsch, FJ
Kornilov, NV
Lestone, JP
Litaize, O
Morillon, B
Neudecker, D
Oberstedt, S
Ohsawa, T
Otuka, N
Pronyaev, VG
Saxena, A
Serot, O
Shcherbakov, OA
Shu, NC
Smith, DL
Talou, P
Trkov, A
Tudora, AC
Vogt, R
Vorobyev, AS
AF Capote, R.
Chen, Y. -J
Hambsch, F. -J.
Kornilov, N. V.
Lestone, J. P.
Litaize, O.
Morillon, B.
Neudecker, D.
Oberstedt, S.
Ohsawa, T.
Otuka, N.
Pronyaev, V. G.
Saxena, A.
Serot, O.
Shcherbakov, O. A.
Shu, N. -C
Smith, D. L.
Talou, P.
Trkov, A.
Tudora, A. C.
Vogt, R.
Vorobyev, A. S.
TI Prompt Fission Neutron Spectra of Actinides
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID MONTE-CARLO-SIMULATION; NUCLEAR-CHARGE DISTRIBUTION; ATOMIC MASS
EVALUATION; CROSS-SECTION; UNCERTAINTY QUANTIFICATION;
ENERGY-DISTRIBUTIONS; FRAGMENT PROPERTIES; GAMMA EMISSION; POINT MODEL;
MULTIMODAL ANALYSIS
AB The energy spectrum of prompt neutrons emitted in fission (PFNS) plays a very important role in nuclear science and technology. A Coordinated Research Project (CRP) "Evaluation of Prompt Fission Neutron Spectra of Actinides" was established by the IAEA Nuclear Data Section in 2009, with the major goal to produce new PFNS evaluations with uncertainties for actinide nuclei. The following technical areas were addressed: (i) experiments and uncertainty quantification (UQ): New data for neutron-induced fission of U-233, (235)u, U-238, and Pu-239 have been measured, and older data have been compiled and reassessed. There is evidence from the experimental work of this CRP that a very small percentage of neutrons emitted in fission are actually scission neutrons; (ii) modeling: The Los Alamos model (LAM) continues to be the workhorse for PFNS evaluations. Monte Carlo models have been developed that describe the fission phenomena microscopically, but further development is needed to produce PFNS evaluations meeting the uncertainty targets; (iii) evaluation methodologies: PFNS evaluations rely on the use of the least-squares techniques for merging experimental and model data. Considerable insight was achieved on how to deal with the problem of too small uncertainties in PFNS evaluations. The importance of considering that all experimental PFNS data are "shape" data was stressed; (iv) PFNS evaluations: New evaluations, including covariance data, were generated for major actinides including 1) non-model GMA evaluations of the U-235(n(th),f), Pu-239(n(th),f), and U-233(n(th),f) PFNS based exclusively on experimental data (0.02 <= E <= 10 MeV), which resulted in PFNS average energies (E) over bar of 2.00 +/- 0.01, 2.073 +/- 0.010, and 2.030 +/- 0.013 MeV, respectively; 2) LAM evaluations of neutron-induced fission spectra on uranium and plutonium targets with improved UQ for incident energies from thermal up to 30 MeV; and 3) Point-by-Point calculations for Th-232, U-234 and Np-237 targets; and (v) data testing: Spectrum averaged cross sections (SACS) calculated for the evaluated U-233(n(th),f) PFN field agree within uncertainties with evaluated SACS experimental data. Despite the observed reduction of the PFNS (E) over bar by about 30 keV for neutron-induced fission of U-233, U-235, and Pu-239, the criticality benchmark outcomes suggested that new evaluations can achieve the same (or better) integral performance with respect to existing evaluations, but the strong compensating effects observed need to be addressed. Summarizing, this project has significantly improved PFNS evaluations and evaluation methodology, provided new PFNS data for applications, and also highlighted the areas for future research.
C1 [Capote, R.; Trkov, A.] IAEA, NAPC Nucl Data Sect, A-1400 Vienna, Austria.
[Chen, Y. -J; Shu, N. -C] China Nucl Data Ctr, China Inst Atom Energy, Beijing 102413, Peoples R China.
[Hambsch, F. -J.; Oberstedt, S.] Commiss European Communities, Joint Res Ctr IRMM, Retieseweg 111, B-2440 Geel, Belgium.
[Kornilov, N. V.] Ohio Univ, Dept Phys & Astron, Athens, OH 45701 USA.
[Lestone, J. P.; Talou, P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
[Litaize, O.; Serot, O.] CEA, DEN, DER, SPRC, F-13108 St Paul Les Durance, France.
[Morillon, B.] CEA, DAM, DIF, F-91297 Arpajon, France.
[Ohsawa, T.] Kinki Univ, Sch Sci & Engn, Higashiosaka, Osaka Fu 5778502, Japan.
[Pronyaev, V. G.] Inst Phys & Power Engn, Obninsk, Russia.
[Saxena, A.] Bhabha Atom Res Ctr, Div Nucl Phys, Bombay 400085, Maharashtra, India.
[Shcherbakov, O. A.; Vorobyev, A. S.] NRC Kurchatov Inst, Petersburg Nucl Phys Inst, Neutron Res Dept, Gatchina 188300, Russia.
[Smith, D. L.] Argonne Natl Lab, 1710 Ave Mundo 1506, Coronado, CA 92118 USA.
[Tudora, A. C.] Univ Bucharest, Fac Phys, POB MG-11, RO-077125 Magurele, Romania.
[Vogt, R.] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA.
[Vogt, R.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
RP Capote, R (reprint author), IAEA, NAPC Nucl Data Sect, 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 358
TC 7
Z9 7
U1 9
U2 20
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD JAN
PY 2016
VL 131
SI SI
BP 1
EP 106
DI 10.1016/j.nds.2015.12.002
PG 106
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800002
ER
PT J
AU Neudecker, D
Taddeucci, TN
Haight, RC
Lee, HY
White, MC
Rising, ME
AF Neudecker, D.
Taddeucci, T. N.
Haight, R. C.
Lee, H. Y.
White, M. C.
Rising, M. E.
TI The Need for Precise and Well-documented Experimental Data on Prompt
Fission Neutron Spectra from Neutron-induced Fission of Pu-239
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID ENERGY-SPECTRUM; UNCERTAINTY QUANTIFICATION; NUCLEAR-DATA; CF-252;
IMPACT; U-235; COVARIANCES; SCATTERING; DETECTOR; URANIUM
AB The spectrum of neutrons emitted promptly after Pu-239(n,f)-a so-called prompt fission neutron spectrum (PFNS)-is a quantity of high interest, for instance, for reactor physics and global security. However, there are only few experimental data sets available that are suitable for evaluations. In addition, some of those data sets differ by more than their 1-sigma uncertainty boundaries. We present the results of MCNP studies indicating that these differences are partly caused by underestimated multiple scattering contributions, over-corrected background, and inconsistent deconvolution methods. A detailed uncertainty quantification for suitable experimental data was undertaken including these effects, and test-evaluations were performed with the improved uncertainty information. The test-evaluations illustrate that the inadequately estimated effects and detailed uncertainty quantification have an impact on the evaluated PFNS and associated uncertainties as well as the neutron multiplicity of selected critical assemblies. A summary of data and documentation needs to improve the quality of the experimental database is provided based on the results of simulations and test-evaluations. Given the possibly substantial distortion of the PFNS by multiple scattering and background effects, special care should be taken to reduce these effects in future measurements, e.g., by measuring the Pu-239 PFNS as a ratio to either the U-235 or Cf-252 PFNS.
C1 [Neudecker, D.; Taddeucci, T. N.; Haight, R. C.; Lee, H. Y.; White, M. C.; Rising, M. E.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Neudecker, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM dneudecker@lanl.gov
OI White, Morgan/0000-0003-3876-421X
FU NNSA, US DoE [DE-AC52-06NA25396]
FX This study benefited from discussions and information provided by many
colleagues. We would like to specifically acknowledge the valuable input
of R. Capote, M.B. Chadwick, J.J. Egan, Th. Granier, A.G. Kahler, T.
Kawano, N. Kornilov, J.P. Lestone, W. Mannhart, J.M. O'Donnell, N.
Otsuka, V. Pronyaev, A. Sardet, P. Schillebeeckx, D.L. Smith, P.
Staples, J. Taieb and P. Talou. We also thank the unknown reviewer for
his/her detailed and very helpful feedback on the manuscript. Work at
LANL was sponsored by the NNSA, US DoE under Contract No.
DE-AC52-06NA25396.
NR 103
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Z9 2
U1 2
U2 5
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD JAN
PY 2016
VL 131
SI SI
BP 289
EP 318
DI 10.1016/j.nds.2015.12.005
PG 30
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800006
ER
PT J
AU Gooden, ME
Arnold, CW
Becker, JA
Bhatia, C
Bhike, M
Bond, EM
Bredeweg, TA
Fallin, B
Fowler, MM
Howell, CR
Kelley, JH
Krishichayan
Macri, R
Rusev, G
Ryan, C
Sheets, SA
Stoyer, MA
Tonchev, AP
Tornow, W
Vieira, DJ
Wilhelmy, JB
AF Gooden, M. E.
Arnold, C. W.
Becker, J. A.
Bhatia, C.
Bhike, M.
Bond, E. M.
Bredeweg, T. A.
Fallin, B.
Fowler, M. M.
Howell, C. R.
Kelley, J. H.
Krishichayan
Macri, R.
Rusev, G.
Ryan, C.
Sheets, S. A.
Stoyer, M. A.
Tonchev, A. P.
Tornow, W.
Vieira, D. J.
Wilhelmy, J. B.
TI Energy Dependence of Fission Product Yields from U-235, U-238 and Pu-239
for Incident Neutron Energies Between 0.5 and 14.8 MeV
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID MASS DISTRIBUTIONS; SPECTRUM
AB Fission Product Yields (FPY) have historically been one of the most observable features of the fission process. They are known to have strong variations that are dependent on the fissioning species, the excitation energy, and the angular momentum of the compound system. However, consistent and systematic studies of the variation of these FPY with energy have proved challenging. This is caused primarily by the nature of the experiments that have traditionally relied on radiochemical procedures to isolate specific fission products. Although radiochemical procedures exist that can isolate all products, each element presents specific challenges and introduces varying degrees of systematic errors that can make inter-comparison of FPY uncertain. Although of high importance in fields such as nuclear forensics and Stockpile Stewardship, accurate information about the energy dependence of neutron induced FPY are sparse, due primarily to the lack of suitable monoenergetic neutron sources. There is a clear need for improved data, and to address this issue, a collaboration was formed between Los Alamos National Laboratory (LANL), Lawrence Livermore National Laboratory (LLNL) and the Triangle Universities Nuclear Laboratory (TUNL) to measure the energy dependence of FPY for U-235, U-238 and Pu-239. The measurements have been performed at TUNL, using a 10 MV Tandem Van de Graaff accelerator to produce monoenergetic neutrons at energies between 0.6 MeV to 14.8 MeV through a variety of reactions. The measurements have utilized a dual-fission chamber, with thin (10-100 mu g/cm(2)) reference foils of similar material to a thick (100-400 mg) activation target held in the center between the chambers. This method allows for the accurate determination of the number of fissions that occurred in the thick target without requiring knowledge of the fission cross section or neutron fluence on target. Following activation, the thick target was removed from the dual-fission chamber and gamma-ray counted using shielded HPGe detectors for a period of 1-2 months to determine the yield of various fission products. To the extent possible all irradiation and counting procedures were kept the same to minimize sources of systematic errors. FPY have been determined at incident neutron energies of 0.6, 1.4, 2.4, 3.5, 4.6, 5.5, 8.9 and 14.8 MeV.
C1 [Gooden, M. E.; Arnold, C. W.; Bond, E. M.; Bredeweg, T. A.; Fowler, M. M.; Rusev, G.; Vieira, D. J.; Wilhelmy, J. B.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Becker, J. A.; Macri, R.; Ryan, C.; Sheets, S. A.; Stoyer, M. A.; Tonchev, A. P.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Bhatia, C.] McMaster Univ, Hamilton, ON L8S 4L8, Canada.
[Bhike, M.; Fallin, B.; Howell, C. R.; Krishichayan; Tornow, W.] Duke Univ, Dept Phys, Durham, NC 27708 USA.
[Bhike, M.; Fallin, B.; Howell, C. R.; Kelley, J. H.; Krishichayan; Tornow, W.] Triangle Univ Nucl Lab, Durham, NC 27708 USA.
[Kelley, J. H.] N Carolina State Univ, Dept Phys, Raleigh, NC 27605 USA.
RP Gooden, ME (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM m_gooden@lanl.gov
OI Rusev, Gencho/0000-0001-7563-1518
FU U.S. Department of Energy at Duke University; Triangle Universities
Nuclear Laboratory through NNSA, Stewardship Science Academic Alliances
Program [DE-FG52-09NA29465, DE-FG52-09NA29448]; Office of Nuclear
Physics [DE-FG02-97ER41033]; Los Alamos National Security, LLC [DE-AC52
06NA25396]; Lawrence Livermore National Security, LLC
[DE-AC52-07NA27344]
FX We wish to thank M.B. Chadwick (LANL) for his insight and support for
the present measurements. Also, thanks to the TUNL Tandem support staff
for the assistance in operating and maintaining the accelerator. This
work was performed under the auspices of U.S. Department of Energy at
Duke University and Triangle Universities Nuclear Laboratory through
NNSA, Stewardship Science Academic Alliances Program Grant No.
DE-FG52-09NA29465, DE-FG52-09NA29448 and Office of Nuclear Physics Grant
No. DE-FG02-97ER41033. At Los Alamos National Laboratory operated by the
Los Alamos National Security, LLC under Contract No. DE-AC52 06NA25396
and at Lawrence Livermore National Laboratory operated by the Lawrence
Livermore National Security, LLC under Contract No. DE-AC52-07NA27344.
NR 32
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U2 10
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD JAN
PY 2016
VL 131
SI SI
BP 319
EP 356
DI 10.1016/j.nds.2015.12.006
PG 38
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800007
ER
PT J
AU Lestone, JP
AF Lestone, J. P.
TI Neutron-fragment and Neutron-neutron Correlations in Low-energy Fission
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID PROMPT NEUTRONS; ANGULAR DISTRIBUTIONS; CF-252; EMISSION; MULTIPLICITY;
SPECTRA; PU-239; CF252; MODEL; U-235
AB A computational method has been developed to simulate neutron emission from thermal-neutron induced fission of U-235 and from spontaneous fission of Cf-252. Measured pre-emission mass-yield curves, average total kinetic energies and their variances, both as functions of mass split, are used to obtain a representation of the distribution of fragment velocities. Measured average neutron multiplicities as a function of mass split and their dependence on total kinetic energy are used. Simulations can be made to reproduce measured factorial moments of neutron-multiplicity distributions with only minor empirical adjustments to some experimental inputs. The neutron-emission spectra in the rest-frame of the fragments are highly constrained by ENDF/B-VII.1 prompt-fission neutron-spectra evaluations. The n-f correlation measurements of Vorobyev et al. (2010) are consistent with predictions where all neutrons are assumed to be evaporated isotropically from the rest frame of fully accelerated fragments. Measured n-f and n-n correlations of others are a little weaker than the predictions presented here. These weaker correlations could be used to infer a weak scission-neutron source. However, the effect of neutron scattering on the experimental results must be studied in detail before moving away from a null hypothesis that all neutrons are evaporated from the fragments.
C1 [Lestone, J. P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
RP Lestone, JP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM lestone@lanl.gov
FU National Nuclear Security Agency of the U.S. Department of Energy
[DE-AC52-06NA25396]; Los Alamos National Security, LLC
FX We are grateful to A. J. Sierk and M. B. Chadwick for discussions
related to the physics of fission. Work at Los Alamos National
Laboratory was carried out under the auspices of the National Nuclear
Security Agency of the U.S. Department of Energy under Contract No.
DE-AC52-06NA25396 with Los Alamos National Security, LLC.
NR 42
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U1 5
U2 9
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD JAN
PY 2016
VL 131
SI SI
BP 357
EP 376
DI 10.1016/j.nds.2015.12.007
PG 20
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800008
ER
PT J
AU Hirdt, JA
Brown, DA
AF Hirdt, J. A.
Brown, D. A.
TI Identifying Understudied Nuclear Reactions by Text-mining the EXFOR
Experimental Nuclear Reaction Library
SO NUCLEAR DATA SHEETS
LA English
DT Article
ID PROTON-INDUCED REACTIONS; TOTAL CROSS-SECTIONS; EXCITATION;
COLLABORATION; SCIENCE; COPPER; NA-22
AB The EXFOR library contains the largest collection of experimental nuclear reaction data available as well as the data's bibliographic information and experimental details. We text-mined the REACTION and MONITOR fields of the ENTRYs in the EXFOR library in order to identify understudied reactions and quantities. Using the results of the text-mining, we created an undirected graph from the EXFOR datasets with each graph node representing a single reaction and quantity and graph links representing the various types of connections between these reactions and quantities. This graph is an abstract representation of the connections in EXFOR, similar to graphs of social networks, authorship networks, etc. We use various graph theoretical tools to identify important yet understudied reactions and quantities in EXFOR. Although we identified a few cross sections relevant for shielding applications and isotope production, mostly we identified charged particle fluence monitor cross sections. As a side effect of this work, we learn that our abstract graph is typical of other real-world graphs.
C1 [Hirdt, J. A.] St Josephs Coll, Dept Math & Comp Sci, Patchogue, NY 11772 USA.
[Brown, D. A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Brown, DA (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM dbrown@bnl.gov
RI kiaie, robabeh/I-2157-2016; kiaie, fatemeh/I-6083-2016
OI kiaie, robabeh/0000-0001-5251-3201;
FU Office of Nuclear Physics, Office of Science of the U.S. Department of
Energy [DE-AC02-98CH10886]; Brookhaven Science Associates, LLC; U.S.
Department of Energy, Office of Science, Office of Workforce Development
for Teachers and Scientists under the Science Undergraduate Laboratory
Internships Program
FX We want to thank M. Herman, E. McCutchan (BNL) and J. Fritz (St.
Joseph's College) for their support of this project and acknowledge the
useful discussions with N. Otsuka (IAEA), A. Carlson (NIST), A. Plompen
(IRMM), P. Oblozinsky (BNL, retired) and R. Capote (IAEA). The work at
BNL 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. This project was supported in part
by the U.S. Department of Energy, Office of Science, Office of Workforce
Development for Teachers and Scientists under the Science Undergraduate
Laboratory Internships Program.
NR 36
TC 0
Z9 0
U1 1
U2 6
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0090-3752
EI 1095-9904
J9 NUCL DATA SHEETS
JI Nucl. Data Sheets
PD JAN
PY 2016
VL 131
SI SI
BP 377
EP 399
DI 10.1016/j.nds.2015.12.008
PG 23
WC Physics, Nuclear
SC Physics
GA DB8GI
UT WOS:000368754800009
ER
PT J
AU Daniels, SL
Pressman, JG
Wahman, DG
AF Daniels, Stephanie L.
Pressman, Jonathan G.
Wahman, David G.
TI AFM structural characterization of drinking water biofilm under
physiological conditions
SO RSC ADVANCES
LA English
DT Article
ID ATOMIC-FORCE-MICROSCOPY; NANOSCALE CHARACTERIZATION;
DISTRIBUTION-SYSTEM; ESCHERICHIA-COLI; MICROBIAL CELL; SURFACES
AB Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N m(-1)) and slow scan rate (0.5 Hz), biofilm and the structural topography of individual bacterial cells were resolved and continuously imaged in liquid without fixation of the sample, loss of spatial resolution, or sample damage. The developed methodology will allow future in situ investigations to temporally monitor structural changes in mixed culture drinking water biofilm during disinfection treatments.
C1 [Daniels, Stephanie L.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37831 USA.
[Daniels, Stephanie L.; Pressman, Jonathan G.; Wahman, David G.] US EPA, Water Supply & Water Resource Div, Natl Risk Management Res Lab, 26 W Martin Luther King Dr, Cincinnati, OH 45268 USA.
RP Wahman, DG (reprint author), US EPA, Water Supply & Water Resource Div, Natl Risk Management Res Lab, 26 W Martin Luther King Dr, Cincinnati, OH 45268 USA.
EM wahman.david@epa.gov
NR 33
TC 0
Z9 0
U1 8
U2 20
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2016
VL 6
IS 7
BP 5812
EP 5816
DI 10.1039/c5ra20606e
PG 5
WC Chemistry, Multidisciplinary
SC Chemistry
GA DC0XQ
UT WOS:000368941700079
ER
PT J
AU Li, S
Zhu, JL
Wang, YG
Howard, JW
Lu, XJ
Li, YT
Kumar, RS
Wang, LP
Daemen, LL
Zhao, YS
AF Li, Shuai
Zhu, Jinlong
Wang, Yonggang
Howard, John W.
Lu, Xujie
Li, Yutao
Kumar, Ravhi S.
Wang, Liping
Daemen, Luke L.
Zhao, Yusheng
TI Reaction mechanism studies towards effective fabrication of lithium-rich
anti-perovskites Li3OX (X = Cl, Br)
SO SOLID STATE IONICS
LA English
DT Article
DE Solid electrolyte; Lithium-ion battery; Lithium-rich anti-perovskite;
Solid-state reaction
ID IONIC-CONDUCTIVITY; SUPERIONIC CONDUCTORS; BATTERIES; LI; CHALLENGES;
TRANSPORT
AB Lithium-rich anti-perovskites (LiRAPs), with general formula Li3OX (X = Cl, Br), recently reported as superionic conductors with 3-dimensional Li+ migrating channels, are emerging as promising candidates for solid electrolytes in all-solid-state lithium-ion batteries (LIBs). However, great challenges remain in the fabrication of pure LiRAPs due to difficulties such as low yield, impurity phases, thermodynamic instabilities, and moisture sensitivity. In this work, we thoroughly studied the formation mechanism of Li3OCl and Li3OBr using various solid-state reaction routes. Different experimental strategies were developed to improve the syntheses, namely, for the purposes of phase stability, phase purity, and large-scale production. One feasible method is to use the strong reducing agents Li metal or LiH to eliminate the OH species. The results show that LiH is more effective than Li metal, mainly due to negatively charged H- and reaction uniformity. The other successful method employs a solid diffusion approach using Li2O and LiX as the starting reagents, thereby avoiding OH entirely; ball milling of reagents under Ar atmosphere was utilized to decrease initial grain size and increase the reaction rate. Fourier transform infrared spectroscopy (FTIR), thermal analyses, and first-principles calculations were performed to give indications on the reaction pathway. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Li, Shuai; Zhu, Jinlong; Wang, Yonggang; Howard, John W.; Kumar, Ravhi S.; Wang, Liping; Zhao, Yusheng] Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA.
[Lu, Xujie] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA.
[Lu, Xujie] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
[Li, Yutao] Univ Texas Austin, Mat Res Program, ETC9-184, Austin, TX 78712 USA.
[Li, Yutao] Univ Texas Austin, Texas Mat Inst, ETC9-184, Austin, TX 78712 USA.
[Daemen, Luke L.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
RP Zhao, YS (reprint author), Univ Nevada, High Pressure Sci & Engn Ctr, Las Vegas, NV 89154 USA.
EM yusheng.zhao@unlv.edu
RI Lu, Xujie/L-9672-2014;
OI Lu, Xujie/0000-0001-8402-7160; Wang, Yonggang/0000-0003-4816-9182
FU ARPA-E project [0670-3052]
FX The authors are grateful for the financial support by the ARPA-E project
(0670-3052). We also thank Prof. Zheshuai Lin (TIPC, CAS) for his help
in first-principle calculations.
NR 30
TC 3
Z9 3
U1 30
U2 69
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-2738
EI 1872-7689
J9 SOLID STATE IONICS
JI Solid State Ion.
PD JAN
PY 2016
VL 284
BP 14
EP 19
DI 10.1016/j.ssi.2015.11.027
PG 6
WC Chemistry, Physical; Physics, Condensed Matter
SC Chemistry; Physics
GA DC4QJ
UT WOS:000369205100003
ER
PT J
AU Hood, ZD
Kates, C
Kirkham, M
Adhikari, S
Liang, CD
Holzwarth, NAW
AF Hood, Zachary D.
Kates, Cameron
Kirkham, Melanie
Adhikari, Shiba
Liang, Chengdu
Holzwarth, N. A. W.
TI Structural and electrolyte properties of Li4P2S6
SO SOLID STATE IONICS
LA English
DT Article
DE Solid electrolyte; Lithium thiophosphate; Crystal structure; Li ion
conductivity; All-solid-state battery
ID PROJECTOR AUGMENTED-WAVE; SOLID-STATE BATTERIES; MINIMUM ENERGY PATHS;
ELASTIC BAND METHOD; GLASS-CERAMICS; SADDLE-POINTS; LITHIUM; LI2S-P2S5;
CRYSTAL; GAS
AB Experiment and simulations are used to investigate the structural and electrolyte properties of Li4P2S6. Compared with other thiophosphate materials, Li4P2S6 is quite stable, maintaining its crystal structure up to temperatures as high as 950 degrees C in vacuum and up to 280 degrees C in air. While its ionic conductivity is small, 2.38 x 10(-7) S/cm at 25 degrees C and 2.33 x 10(-6)S/cm at 100 degrees C, its Arrhenius activation energy of 0.29 eV is similar to technologically viable electrolytes. Computer simulations provide insight into the causes and effects of disorder in this material and also indicate that the mechanism of the ion conduction is dominated by interstitial sites. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Hood, Zachary D.; Kates, Cameron; Liang, Chengdu; Holzwarth, N. A. W.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Kirkham, Melanie] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
[Adhikari, Shiba] Wake Forest Univ, Dept Chem, Winston Salem, NC 27109 USA.
[Hood, Zachary D.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.
[Kates, Cameron] Duke Univ, Pratt Sch Engn, Durham, NC 27706 USA.
[Liang, Chengdu] Ningde Amperex Technol Ltd, Res Inst, Ningde, Peoples R China.
RP Holzwarth, NAW (reprint author), Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA.
EM natalie@wfu.edu
OI Kirkham, Melanie/0000-0001-8411-9751
FU NSF [DMR-1105485]; Higher Education Research Experiences (HERE) at Oak
Ridge National Laboratory; Scientific User Facilities Division, Office
of Basic Energy Sciences, US Department of Energy
FX The computational portion of this work was supported by NSF grant
DMR-1105485. Computations were performed on the Wake Forest University
DEAC cluster, a centrally managed resource with support provided in part
by the University. Zachary D. Hood was supported by Higher Education
Research Experiences (HERE) at Oak Ridge National Laboratory. The
experimental portion of this work was primarily conducted at the Center
for Nanophase Materials Sciences, which is a DOE Office of Science User
Facility. Additionally, a portion of this research at ORNL's Spallation
Neutron Source was sponsored by the Scientific User Facilities Division,
Office of Basic Energy Sciences, US Department of Energy. We thank Jong
Keum and Andrew Payzant for their assistance with cryogenic XRD
measurements. Helpful discussions with Gayatri Sahu and Hui Wang from
ORNL and William C. Kerr, Michael D. Gross, Keerthi Senevirathne,
Cynthia Day, and Abdessadek Lachgar from WFU are gratefully
acknowledged.
NR 34
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Z9 5
U1 15
U2 57
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-2738
EI 1872-7689
J9 SOLID STATE IONICS
JI Solid State Ion.
PD JAN
PY 2016
VL 284
BP 61
EP 70
DI 10.1016/j.ssi.2015.10.015
PG 10
WC Chemistry, Physical; Physics, Condensed Matter
SC Chemistry; Physics
GA DC4QJ
UT WOS:000369205100010
ER
PT J
AU Simocko, CK
Frischknecht, AL
Huber, DL
AF Simocko, Chester K.
Frischknecht, Amalie L.
Huber, Dale L.
TI Phase Behavior of Ternary Polymer Brushes
SO ACS MACRO LETTERS
LA English
DT Article
ID BLOCK-COPOLYMER LITHOGRAPHY; MICROPHASE SEPARATION; GRAFTING DENSITY;
SOFT MATERIALS; THIN-FILMS; SURFACE; SILICA; ARRAYS; REORGANIZATION;
SIMULATIONS
AB Ternary polymer brushes consisting of polystyrene, poly (methyl methacrylate), and poly(4-vinylpyridine) have been synthesized. These brushes laterally phase separate into several distinct phases and can be tailored by altering the relative polymer composition. Self-consistent field, theory has been used to predict the phase diagram and model both the horizontal and vertical phase behavior of the polymer brushes. All phase behaviors observed experimentally correlate well with the theoretical model.
C1 [Simocko, Chester K.; Frischknecht, Amalie L.; Huber, Dale L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA.
RP Huber, DL (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA.
EM dale.huber@sandia.gov
RI Huber, Dale/A-6006-2008; Frischknecht, Amalie/N-1020-2014
OI Huber, Dale/0000-0001-6872-8469; Frischknecht,
Amalie/0000-0003-2112-2587
FU U.S. Department of Energy, Office of Science, Basic Energy Sciences,
Materials Sciences and Engineering Division; U.S. Department of Energy's
National Nuclear Security Administration [DE-AC04- 94AL85000]
FX This work was supported by the U.S. Department of Energy, Office of
Science, Basic Energy Sciences, Materials Sciences and Engineering
Division. Ellipsometry and Atomic Force Microscopy were performed at the
Center for Integrated Nano technologies, an Office of Science User
Facility operated for the U.S. Department of Energy (DOE) Office of
Science. Sandia National Laboratories is a multiprogram laboratory
managed and operated by Sandia Corporation, a wholly owned subsidiary of
Lockheed Martin Corporation, for the U.S. Department of Energy's
National Nuclear Security Administration under contract DE-AC04-
94AL85000.
NR 29
TC 1
Z9 1
U1 11
U2 34
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2161-1653
J9 ACS MACRO LETT
JI ACS Macro Lett.
PD JAN
PY 2016
VL 5
IS 1
BP 149
EP 153
DI 10.1021/acsmacrolett.5b00792
PG 5
WC Polymer Science
SC Polymer Science
GA DB5PW
UT WOS:000368567100031
ER
PT J
AU Pooser, RC
Lawrie, B
AF Pooser, Raphael C.
Lawrie, Benjamin
TI Plasmonic Trace Sensing below the Photon Shot Noise Limit
SO ACS PHOTONICS
LA English
DT Article
DE plasmonics; quantum sensors; quantum plasmonics; surface plasmon
resonance sensors; quantum optics
ID QUANTUM; DISPLACEMENT; METROLOGY; PROTEINS
AB Plasmonic sensors are important detectors of biochemical trace compounds, but those that utilize optical readout are approaching their absolute limits of detection as defined by the Heisenberg uncertainty principle in both differential intensity and phase readout. However, the use of more general minimum uncertainty states in the form of squeezed light can push the noise floor in these sensors below the shot noise limit (SNL) in one analysis variable at the expense of another. Here, we demonstrate a quantum plasmonic sensor whose noise floor is reduced below the SNL in order to perform index of refraction measurements with sensitivities unobtainable with classical plasmonic sensors. The increased signal-to-noise ratio can result in faster detection of analyte concentrations that were previously lost in the noise. These benefits are the hallmarks of a sensor exploiting quantum readout fields in order to manipulate the limits of the Heisenberg uncertainty principle.
C1 [Pooser, Raphael C.; Lawrie, Benjamin] Oak Ridge Natl Lab, Computat Sci & Engn Div, Quantum Informat Sci Grp, Oak Ridge, TN 37830 USA.
RP Pooser, RC (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Quantum Informat Sci Grp, Oak Ridge, TN 37830 USA.
EM pooserrc@ornl.gov
OI Lawrie, Ben/0000-0003-1431-066X; Pooser, Raphael/0000-0002-2922-453X
FU U.S. Department of Energy [DE-AC05-00OR22725]; ORNL Laboratory directed
research and development program (LDRD)
FX This Letter 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
nonexclusive, paid up, irrevocable, worldwide license to publish or
reproduce the published form of this manuscript, or allow others to do
so, for United States Government purposes. The Department of Energy will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan). The authors
acknowledge Jason Schaake and Roderick Davidson for thin film
deposition. The metal film vapor deposition was carried out in the clean
room facility at the Center for Nanophase Material Science (CNMS), a
Department of Energy Office of Science user facility. The authors
acknowledge support from the ORNL Laboratory directed research and
development program (LDRD).
NR 32
TC 8
Z9 8
U1 6
U2 14
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD JAN
PY 2016
VL 3
IS 1
BP 8
EP 13
DI 10.1021/acsphotonics.5b00501
PG 6
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA DB5QA
UT WOS:000368567500002
ER
PT J
AU Wu, YY
Li, GL
Cherqui, C
Bigelow, NW
Thakkar, N
Masiello, DJ
Camden, JP
Rack, PD
AF Wu, Yueying
Li, Guoliang
Cherqui, Charles
Bigelow, Nicholas W.
Thakkar, Niket
Masiello, David J.
Camden, Jon P.
Rack, Philip D.
TI Electron Energy Loss Spectroscopy Study of the Full Plasmonic Spectrum
of Self-Assembled Au-Ag Alloy Nanoparticles: Unraveling Size,
Composition, and Substrate Effects
SO ACS PHOTONICS
LA English
DT Article
DE plasmonics; alloy nanoparticles; electron energy loss spectroscopy;
dewetting; self-assembly
ID ENHANCED RAMAN-SCATTERING; PATTERNED METAL-FILMS; OPTICAL-PROPERTIES;
SILVER NANOPARTICLES; SOLAR-CELLS; NOBLE-METAL; GOLD; NANOSPHERES;
RESONANCE; ARRAYS
AB We report the self-assembly of ultrasmooth AuxAg1-x, nanoparticles with homogeneous composition via pulsed laser-induced dewetting (PLiD). The nanoparticles are truncated nanospheres that sustain unique plasmonic features. For the first time an electron energy loss spectroscopy (EELS) study elucidating the size and composition effects on the plasmonic modes of truncated AuxAg1-x, nanospheres is carried out. EELS characterization captures a linear red-shift in both bright and dark modes as a function of the atomic fraction of Au and a progressive red-shift of all modes as the size increases. The results are interpreted in the context of Mie theory and electron beam simulations. Armed with the full plasmonic spectrum of the AuxAg1-x, system, the truncated spheres and their ordered arrays synthesized via PLiD have promise as elements in advanced photonic devices.
C1 [Wu, Yueying; Rack, Philip D.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.
[Li, Guoliang; Camden, Jon P.] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA.
[Cherqui, Charles; Bigelow, Nicholas W.; Masiello, David J.] Univ Washington, Dept Chem, Seattle, WA 98195 USA.
[Thakkar, Niket; Masiello, David J.] Univ Washington, Dept Appl Math, Seattle, WA 98195 USA.
[Rack, Philip D.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
RP Rack, PD (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Camden, JP (reprint author), Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA.; Masiello, DJ (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA.; Masiello, DJ (reprint author), Univ Washington, Dept Appl Math, Seattle, WA 98195 USA.; Rack, PD (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM masiello@chem.washington.edu; jon.camden@nd.edu; prack@utk.edu
RI Li, Guoliang/M-6614-2014
OI Li, Guoliang/0000-0003-3798-8422
FU NSF [CBET-1235710]; Scientific User Facilities Division, Office of Basic
Energy Sciences, U.S. Department of Energy; U.S. Department of Energy,
Basic Energy Sciences [DE-SC0010536]; Notre Dame Energy postdoctoral
fellowship; National Science Foundation's CAREER program [CHE-1253775];
NSF XSEDE [PHY-130045]; NSF Graduate Research Fellowship Program
[DGE-1256082]
FX P.D.R. acknowledges that the PLiD self- and directed-assembly portion of
this research was funded by NSF Grant CBET-1235710. P.D.R. further
acknowledges that the nanofabrication was performed 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. This work was supported by
the U.S. Department of Energy, Basic Energy Sciences, under award number
DE-SC0010536 G.L., Y.W.). G.L. also acknowledges support from a Notre
Dame Energy postdoctoral fellowship. This work was supported by the
National Science Foundation's CAREER program under award number
CHE-1253775 (D.J.M.), NSF XSEDE resources under award number PHY-130045
(D.J.M.), and the NSF Graduate Research Fellowship Program under award
number DGE-1256082 (N.T.).
NR 65
TC 3
Z9 3
U1 11
U2 58
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2330-4022
J9 ACS PHOTONICS
JI ACS Photonics
PD JAN
PY 2016
VL 3
IS 1
BP 130
EP 138
DI 10.1021/acsphotonics.5b00548
PG 9
WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary;
Optics; Physics, Applied; Physics, Condensed Matter
SC Science & Technology - Other Topics; Materials Science; Optics; Physics
GA DB5QA
UT WOS:000368567500018
ER
PT J
AU Hagen, A
Poust, S
de Rond, T
Fortman, JL
Katz, L
Petzold, CJ
Keasling, JD
AF Hagen, Andrew
Poust, Sean
de Rond, Tristan
Fortman, Jeffrey L.
Katz, Leonard
Petzold, Christopher J.
Keasling, Jay D.
TI Engineering a Polyketide Synthase for In Vitro Production of Adipic Acid
SO ACS SYNTHETIC BIOLOGY
LA English
DT Article
DE polyketide syrithase; adipic acid; tandem mass-spectrometry
ID LIMITED PROTEOLYSIS; MASS-SPECTROMETRY; ESCHERICHIA-COLI; BIOSYNTHESIS;
DOMAINS
AB PoIyketides have enormous structural diversity, yet polyketide synthases (PKSs) have thus far been engineered to produce only drug candidates or derivatives thereof. Thousands of other molecules,. including commodity and specialty chemicals, could be synthesized using;PKSs if composing hybrid PKSs from well-characterized parts derived from natural PKSs was more efficient. Here, using modern mass spectrometry techniques as an essential part of the design build test cycle, we engineered a chimeric PKS to enable production one of the most widely used commodity chemicals, adipic acid. To accomplish this, we introduced heterologous reductive domains from various PKS clusters into the borrelidin PKS' first extension module, which we previously showed produces a 3-hydroxy-adipoyl intermediate when coincubated with the loading module and a succinyl-CoA starter unit. Acyl-ACP intermediate analysis revealed an unexpected bottleneck at the dehydration step, was overcome introduction of a carboxyacyl-processing dehydratase domain. Appending a thioesterase to the hybrid PKS enabled the production of free adipic acid. Using acyl-intermediate based techniques to "debug" PKSs as described here, it should one day, be possible to engineer chimeric PKSs to produce a variety of existing commodity and specialty chemicals, as well as thousands of chemicals that are difficult to produce from petroleum feedstocks using traditional synthetic chemistry,
C1 [Hagen, Andrew] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94270 USA.
[Poust, Sean; Fortman, Jeffrey L.; Keasling, Jay D.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94270 USA.
[de Rond, Tristan] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94270 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Inst QB3, Berkeley, CA 94270 USA.
[Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94270 USA.
[Fortman, Jeffrey L.; Petzold, Christopher J.; Keasling, Jay D.] US DOE, Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.
[Hagen, Andrew; Katz, Leonard; Keasling, Jay D.] US DOE, Synthet Biol Engn Res Ctr, 5885 Hollis St, Emeryville, CA 94608 USA.
[Petzold, Christopher J.; Keasling, Jay D.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94270 USA.
RP Keasling, JD (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94270 USA.; Keasling, JD (reprint author), Univ Calif Berkeley, Inst QB3, Berkeley, CA 94270 USA.; Keasling, JD (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94270 USA.; Keasling, JD (reprint author), US DOE, Joint BioEnergy Inst, 5885 Hollis St, Emeryville, CA 94608 USA.; Keasling, JD (reprint author), US DOE, Synthet Biol Engn Res Ctr, 5885 Hollis St, Emeryville, CA 94608 USA.; Keasling, JD (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94270 USA.
EM keasling@berkeley.edu
OI Hagen, Andrew/0000-0002-2691-157X
FU Joint BioEnergy Institute - US Department of Energy, Office of Science,
Office of Biological and Environmental Research [DE-AC02-05CH11231];
Synthetic Biology Engineering Research Center (SynBERC) through National
Science Foundation [NSF EEC 0540879]; NSF GRFP [DGE 1106400]; National
Science Foundation [1341894]
FX We thank Michael He for assisting in the synthesis of certain reagents
as well as Ryan Phelan and Satoshi Yuzawa for providing synthetic DNA.
This work was funded by the Joint BioEnergy Institute
(http://www.jbei.org/),which is supported by the US Department of
Energy, Office of Science, Office of Biological and Environmental
Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley
National Laboratory and the US Department of Energy, by the Synthetic
Biology Engineering Research Center (SynBERC) through National Science
Foundation grant NSF EEC 0540879, by the NSF GRFP (Grant No. DGE 1106400
to S.P.), and by National Science Foundation Grant No. 1341894.
NR 25
TC 5
Z9 5
U1 7
U2 27
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2161-5063
J9 ACS SYNTH BIOL
JI ACS Synth. Biol.
PD JAN
PY 2016
VL 5
IS 1
BP 21
EP 27
DI 10.1021/acssynbio5b00153
PG 7
WC Biochemical Research Methods
SC Biochemistry & Molecular Biology
GA DB5PZ
UT WOS:000368567400003
PM 26501439
ER
PT S
AU Paoli, R
Shariff, K
AF Paoli, Roberto
Shariff, Karim
BE Davis, SH
Moin, P
TI Contrail Modeling and Simulation
SO ANNUAL REVIEW OF FLUID MECHANICS, VOL 48
SE Annual Review of Fluid Mechanics
LA English
DT Review; Book Chapter
DE two-phase flow; particulate flows; vortex dynamics; stratified flow;
cloud formation and dynamics; large-eddy simulation; radiative
hydrodynamics
ID LARGE-EDDY SIMULATION; TO-CIRRUS TRANSITION; IN-SITU OBSERVATIONS;
RADIATIVE PROPERTIES; VORTEX PHASE; NUMERICAL SIMULATIONS; AIRCRAFT
WAKES; CLIMATE MODELS; ICE PARTICLES; AERODYNAMIC CONTRAILS
AB There is large uncertainty in the radiative forcing induced by aircraft contrails, particularly after they transform to cirrus. It has recently become possible to simulate contrail evolution for long periods after their formation. We review the main physical processes and simulation efforts in the four phases of contrail evolution, namely the jet, vortex, vortex dissipation, and diffusion phases. Recommendations for further work are given.
C1 [Paoli, Roberto] CERFACS, F-31057 Toulouse 01, France.
[Shariff, Karim] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.
[Paoli, Roberto] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.
[Paoli, Roberto] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
RP Paoli, R (reprint author), CERFACS, F-31057 Toulouse 01, France.; Shariff, K (reprint author), NASA, Ames Res Ctr, Moffett Field, CA 94035 USA.; Paoli, R (reprint author), Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.; Paoli, R (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM paoli@cerfacs.fr; karim.shariff@nasa.gov
OI Shariff, Karim/0000-0002-7256-2497
NR 163
TC 4
Z9 4
U1 2
U2 14
PU ANNUAL REVIEWS
PI PALO ALTO
PA 4139 EL CAMINO WAY, PO BOX 10139, PALO ALTO, CA 94303-0897 USA
SN 0066-4189
BN 978-0-8243-0748-6
J9 ANNU REV FLUID MECH
JI Annu. Rev. Fluid Mech.
PY 2016
VL 48
BP 393
EP 427
DI 10.1146/annurev-fluid-010814-013619
PG 35
WC Mechanics; Physics, Fluids & Plasmas
SC Mechanics; Physics
GA BE1QA
UT WOS:000368367800016
ER
PT J
AU Bandrowski, A
Brush, M
Grethe, JS
Haendel, MA
Kennedy, DN
Hill, S
Hof, PR
Martone, ME
Pols, M
Tan, SC
Washington, N
Zudilova-Seinstra, E
Vasilevsky, N
AF Bandrowski, Anita
Brush, Matthew
Grethe, Jeffery S.
Haendel, Melissa A.
Kennedy, David N.
Hill, Sean
Hof, Patrick R.
Martone, Maryann E.
Pols, Maaike
Tan, Serena C.
Washington, Nicole
Zudilova-Seinstra, Elena
Vasilevsky, Nicole
CA RINL Resource Identification Initi
TI The Resource Identification Initiative: a cultural shift in publishing
SO BRAIN AND BEHAVIOR
LA English
DT Editorial Material
ID NEUROSCIENCE; ANTIBODIES; FRAMEWORK; P65
AB A central tenet in support of research reproducibility is the ability to uniquely identify research resources, that is, reagents, tools, and materials that are used to perform experiments. However, current reporting practices for research resources are insufficient to identify the exact resources that are reported or to answer basic questions such as "How did other studies use resource X?" To address this issue, the Resource Identification Initiative was launched as a pilot project to improve the reporting standards for research resources in the methods sections of papers and thereby improve identifiability and scientific reproducibility. The pilot engaged over 25 biomedical journal editors from most major publishers, as well as scientists and funding officials. Authors were asked to include Research Resource Identifiers (RRIDs) in their manuscripts prior to publication for three resource types: antibodies, model organisms, and tools (i.e., software and databases). RRIDs are assigned by an authoritative database, for example, a model organism database for each type of resource. To make it easier for authors to obtain RRIDs, resources were aggregated from the appropriate databases and their RRIDs made available in a central web portal (http://scicrunch.org/resources). RRIDs meet three key criteria: they are machine readable, free to generate and access, and are consistent across publishers and journals. The pilot was launched in February of 2014 and over 300 papers have appeared that report RRIDs. The number of journals participating has expanded from the original 25 to more than 40 with RRIDs appearing in 62 different journals to date. Here, we present an overview of the pilot project and its outcomes to date. We show that authors are able to identify resources and are supportive of the goals of the project. Identifiability of the resources post-pilot showed a dramatic improvement for all three resource types, suggesting that the project has had a significant impact on identifiability of research resources.
C1 [Bandrowski, Anita; Grethe, Jeffery S.; Martone, Maryann E.] Univ Calif San Diego, Ctr Res Biol Syst, 9500 Gillman Dr 0446, La Jolla, CA 92093 USA.
[Brush, Matthew; Haendel, Melissa A.; Vasilevsky, Nicole] Oregon Hlth & Sci Univ, OHSU Lib, Dept Med Informat & Clin Epidemiol, 3181 SW Sam Jackson Pk Rd, Portland, OR 97239 USA.
[Kennedy, David N.] Univ Massachusetts, Sch Med, Dept Psychiat, 365 Plantat St,Biotech One, Worcester, MA 01605 USA.
[Hill, Sean] Karolinska Inst, INCF, Nobels Vag 15A, S-17177 Stockholm, Sweden.
[Hof, Patrick R.] Hess CSM, Dept Neurosci, Bldg Floor 10 Room 118,1470 Madison Ave, New York, NY 10029 USA.
[Pols, Maaike] Fac 1000 Ltd, Sci Outreach Execut, Middlesex House 34-42,Cleveland St, London W1T 4LB, England.
[Tan, Serena C.] John Wiley & Sons, 11 River St, Hoboken, NJ 07030 USA.
[Washington, Nicole] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
[Zudilova-Seinstra, Elena] Elsevier, Radarweg 29, NL-1043 NX Amsterdam, Netherlands.
RP Bandrowski, A (reprint author), Univ Calif San Diego, Ctr Res Biol Syst, 9500 Gillman Dr 0446, La Jolla, CA 92093 USA.
OI Grethe, Jeffrey/0000-0001-5212-7052; Pols, Maaike/0000-0001-5489-4562;
Bandrowski, Anita/0000-0002-5497-0243; Vasilevsky,
Nicole/0000-0001-5208-3432
FU NIMH NIH HHS [R01 MH083320]; NINDS NIH HHS [R44 NS074540]
NR 14
TC 0
Z9 0
U1 1
U2 4
PU JOHN WILEY & SONS INC
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN, NJ 07030 USA
SN 2162-3279
J9 BRAIN BEHAV
JI Brain Behav.
PD JAN
PY 2016
VL 6
IS 1
AR e00417
DI 10.1002/brb3.417
PG 14
WC Behavioral Sciences; Neurosciences
SC Behavioral Sciences; Neurosciences & Neurology
GA DB8OV
UT WOS:000368777200002
PM 27110440
ER
PT J
AU Dang, LX
Schenter, GK
AF Dang, Liem X.
Schenter, Gregory K.
TI Solvent exchange in liquid methanol and rate theory
SO CHEMICAL PHYSICS LETTERS
LA English
DT Article
ID ACTIVATED CHEMICAL-REACTIONS; TRANSITION-STATE THEORY;
MOLECULAR-DYNAMICS; WATER-EXCHANGE; ION-PAIR; SIMULATIONS; HYDRATION
AB To enhance our understanding of the solvent exchange mechanism in liquid methanol, we report a systematic study using molecular dynamics simulations. We use transition state theory, the Impey-Madden-McDonald method, the reactive flux method, and Grote-Hynes theory to compute the rate constants for this process. Solvent coupling was found to dominate, resulting in a significantly small transmission coefficient. We predict a positive activation volume for methanol exchange. The essential features of the dynamics as well as the pressure dependence are recovered from a Generalized Langevin Equation description of the dynamics. We find that the response to anharmonicity can be decomposed into two time regimes, one corresponding to short time response (<0.1 ps) and long time response (>5 ps). An effective characterization of the process is obtained from launching dynamics from the planar hypersurface corresponding to Grote-Hynes theory, resulting in improved numerical convergence of correlation functions. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Dang, Liem X.; Schenter, Gregory K.] Pacific NW Natl Lab, Div Phys Sci, Mol Theory Grp, Richland, WA 99352 USA.
RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Phys Sci, Mol Theory Grp, Richland, WA 99352 USA.
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Division of Chemical Sciences, Geosciences, and Biosciences
FX This work was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, Division of Chemical Sciences,
Geosciences, and Biosciences. The calculations were carried out using
computer resources provided by the Office of Basic Energy Sciences.
Discussions with Chris Mundy have enhanced this work. References
NR 26
TC 0
Z9 0
U1 4
U2 9
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0009-2614
EI 1873-4448
J9 CHEM PHYS LETT
JI Chem. Phys. Lett.
PD JAN
PY 2016
VL 643
BP 142
EP 148
DI 10.1016/j.cplett.2015.10.045
PG 7
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB1JK
UT WOS:000368264300009
ER
PT J
AU Yang, WL
Qiao, RM
AF Yang, Wanli
Qiao, Ruimin
TI Soft x-ray spectroscopy for probing electronic and chemical states of
battery materials
SO CHINESE PHYSICS B
LA English
DT Review
DE soft x-ray spectroscopy; batteries; solid-electrolyte-interphase;
electronic structure
ID LITHIUM-ION BATTERIES; TRANSITION-METAL COMPOUNDS; LI-ION;
HIGH-CAPACITY; NEGATIVE ELECTRODE; SPIN STATES; IN-SITU; LITHIATION;
ANODES; ABSORPTION
AB The formidable challenge of developing high-performance battery system stems from the complication of battery operations, both mechanically and electronically. In the electrodes and at the electrode-electrolyte interfaces, chemical reactions take place with evolving electron states. In addition to the extensive studies of material synthesis, electrochemical, structural, and mechanical properties, soft x-ray spectroscopy provides unique opportunities for revealing the critical electron states in batteries. This review discusses some of the recent soft x-ray spectroscopic results on battery binder, transition-metal based positive electrodes, and the solid-electrolyte-interphase. By virtue of soft x-ray's sensitivity to electron states, the electronic property, the redox during electrochemical operations, and the chemical species of the interphases could be fingerprinted by soft x-ray spectroscopy. Understanding and innovating battery technologies need a multimodal approach, and soft x-ray spectroscopy is one of the incisive tools to probe the chemical and physical evolutions in batteries.
C1 [Yang, Wanli; Qiao, Ruimin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Yang, WL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM wlyang@lbl.gov
RI Qiao, Ruimin/E-9023-2013; Yang, Wanli/D-7183-2011
OI Yang, Wanli/0000-0003-0666-8063
FU Director, Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]; LDRD program at the
Lawrence Berkeley National Laboratory
FX Works reviewed here are achieved through broad international
collaborations. In particular, we would like to thank J. H. Guo, Y. D.
Chuang, G. Liu, L. W. Wang, J. Liu, T. J. Richardson, I. T. Lucas, R.
Kostecki, T. Chin, and S. J. Harris at Berkeley, Y. S. Hu and H. Li at
the Institute of Physics of Chinese Academy of Sciences. 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. Ruimin Qiao is supported by the LDRD program at
the Lawrence Berkeley National Laboratory.
NR 60
TC 2
Z9 2
U1 12
U2 40
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1674-1056
EI 1741-4199
J9 CHINESE PHYS B
JI Chin. Phys. B
PD JAN
PY 2016
VL 25
IS 1
AR 017104
DI 10.1088/1674-1056/25/1/017104
PG 9
WC Physics, Multidisciplinary
SC Physics
GA DB4AM
UT WOS:000368455100067
ER
PT J
AU Yu, X
Hu, E
Bak, S
Zhou, YN
Yang, XQ
AF Yu, Xiqian
Hu, Enyuan
Bak, Seongmin
Zhou, Yong-Ning
Yang, Xiao-Qing
TI Strategies to curb structural changes of lithium/transition metal oxide
cathode materials & the changes' effects on thermal & cycling stability
SO CHINESE PHYSICS B
LA English
DT Review
DE thermal stability; cathode; oxide; lithium ion batteries; safety
ID LITHIUM-ION BATTERIES; X-RAY-DIFFRACTION; ACCELERATING RATE CALORIMETRY;
LI-ION; ELECTROCHEMICAL PROPERTIES; INTERCALATED GRAPHITE; ELECTRODE
MATERIALS; INSERTION MATERIAL; MASS-SPECTROSCOPY; MANGANESE-OXIDE
AB Structural transformation behaviors of several typical oxide cathode materials during a heating process are reviewed in detail to provide in-depth understanding of the key factors governing the thermal stability of these materials. We also discuss applying the information about heat induced structural evolution in the study of electrochemically induced structural changes. All these discussions are expected to provide valuable insights for designing oxide cathode materials with significantly improved structural stability for safe, long-life lithium ion batteries, as the safety of lithium-ion batteries is a critical issue; it is widely accepted that the thermal instability of the cathodes is one of the most critical factors in thermal runaway and related safety problems.
C1 [Yu, Xiqian; Hu, Enyuan; Bak, Seongmin; Zhou, Yong-Ning; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Yang, XQ (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM xyang@bnl.gov
RI Hu, Enyuan/D-7492-2016; Yu, Xiqian/B-5574-2014; Bak, Seong
Min/J-4597-2013;
OI Hu, Enyuan/0000-0002-1881-4534; Yu, Xiqian/0000-0001-8513-518X; Bak,
Seong-Min/0000-0002-1626-5949
FU U.S. Department of Energy, the Assistant Secretary for Energy Efficiency
and Renewable Energy, Office of Vehicle Technologies [DE-SC0012704]
FX Project supported by the U.S. Department of Energy, the Assistant
Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle
Technologies (Grant No. DE-SC0012704).
NR 70
TC 2
Z9 2
U1 18
U2 61
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 1674-1056
EI 1741-4199
J9 CHINESE PHYS B
JI Chin. Phys. B
PD JAN
PY 2016
VL 25
IS 1
AR 018205
DI 10.1088/1674-1056/25/1/018205
PG 10
WC Physics, Multidisciplinary
SC Physics
GA DB4AM
UT WOS:000368455100084
ER
PT J
AU Rubin, A
Cooper, KM
Leever, M
Wimpenny, J
Deering, C
Rooney, T
Gravley, D
Yin, QZ
AF Rubin, Allison
Cooper, Kari M.
Leever, Marissa
Wimpenny, Josh
Deering, Chad
Rooney, Tyrone
Gravley, Darren
Yin, Qing-zhu
TI Changes in magma storage conditions following caldera collapse at
Okataina Volcanic Center, New Zealand
SO CONTRIBUTIONS TO MINERALOGY AND PETROLOGY
LA English
DT Article
DE Rhyolite; Taupo Volcanic Zone; Hf isotope; Zircon; Th-230-U-238
ID MODEL-AGE SPECTRA; ROTOITI ERUPTION; SILICIC MAGMA; U-TH; YELLOWSTONE
CALDERA; LONG VALLEY; HALF-LIVES; TAUPO; ZIRCON; ZONE
AB Large silicic volcanic centers produce both small rhyolitic eruptions and catastrophic caldera-forming eruptions. Although changes in trace element and isotopic compositions within eruptions following caldera collapse have been observed at rhyolitic volcanic centers such as Yellowstone and Long Valley, much still remains unknown about the ways in which magma reservoirs are affected by caldera collapse. We present U-238-Th-230 age, trace element, and Hf isotopic data from individual zircon crystals from four eruptions from the Okataina Volcanic Center, Taupo Volcanic Zone, New Zealand, in order to assess changes in trace element and isotopic composition of the reservoir following the 45-ka caldera-forming Rotoiti eruption. Our data indicate that (1) mixing of magmas derived from crustal melts and mantle melts takes place within the shallow reservoir; (2) while the basic processes of melt generation likely did not change significantly between pre- and post-caldera rhyolites, post-caldera zircons show increased trace element and isotopic heterogeneity that suggests a decrease in the degree of interconnectedness of the liquid within the reservoir following collapse; and (3) post-caldera eruptions from different vents indicate different storage times of the amalgamated melt prior to eruption. These data further suggest that the timescales needed to generate large volumes of eruptible melt may depend on the timescales needed to increase interconnectedness and achieve widespread homogenization throughout the reservoir.
C1 [Rubin, Allison; Cooper, Kari M.; Yin, Qing-zhu] Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
[Leever, Marissa; Wimpenny, Josh] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Deering, Chad] Michigan Technol Univ, Dept Geol & Min Engn & Sci, Houghton, MI 49931 USA.
[Rooney, Tyrone] Michigan State Univ, Dept Geol Sci, E Lansing, MI 48824 USA.
[Gravley, Darren] Univ Canterbury, Dept Geol Sci, Christchurch 1, New Zealand.
RP Rubin, A (reprint author), Univ Calif Davis, Dept Earth & Planetary Sci, Davis, CA 95616 USA.
EM aerubin@ucdavis.edu
RI Rooney, Tyrone/B-4594-2010
FU National Science Foundation [EAR-0738749, EAR-1144945]; UC Davis;
Geological Society of America
FX This work was partially supported by National Science Foundation awards
EAR-0738749 and EAR-1144945 to Kari Cooper, as well as by Durrell
research grants from UC Davis and a Geological Society of America
graduate student research grant to AER. We would also like to thank
Jorge Vazquez and Matt Coble for their assistance on the SHRIMP-RG at
the USGS/Stanford University facility, as well as Justin Glessner for
his assistance with multicollector ICP-MS analyses and Mark Stelten for
his valuable insights and help with sample preparation.
NR 63
TC 0
Z9 0
U1 3
U2 6
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0010-7999
EI 1432-0967
J9 CONTRIB MINERAL PETR
JI Contrib. Mineral. Petrol.
PD JAN
PY 2016
VL 171
IS 1
AR 4
DI 10.1007/s00410-015-1216-6
PG 18
WC Geochemistry & Geophysics; Mineralogy
SC Geochemistry & Geophysics; Mineralogy
GA DB7NO
UT WOS:000368702600004
ER
PT J
AU Ono, FB
Tappero, R
Sparks, D
Guilherme, LRG
AF Ono, F. B.
Tappero, R.
Sparks, D.
Guilherme, L. R. G.
TI Investigation of arsenic species in tailings and windblown dust from a
gold mining area
SO ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH
LA English
DT Article
DE Trace elements; Arsenic speciation; Bioaccessibility; Micro-XANES; Air
particulates; Environmental pollution
ID RAY-ABSORPTION SPECTROSCOPY; CHROMATE RETENTION MECHANISMS; HEALTH-RISK
ASSESSMENT; MINE TAILINGS; IRON QUADRANGLE; SOILS; SPECIATION; BRAZIL;
BIOACCESSIBILITY; BIOAVAILABILITY
AB Research has shown the presence of high levels of arsenic (up to 2666 mg As kg(-1)) in tailings from a gold mining area of Brazil. This is an important point of attention, generating concerns about impacts on human health. Yet, a recent study showed that As bioaccessibility in the same area was very low (< 4.4 %). Thus, determination of the direct solid-phase speciation of As in the mine tailings and windblown dust is needed to explain this low bioaccessibility. Mine samples were collected from four subareas and windblown dust from eight sites. Synchrotron-based bulk-X-ray absorption near-edge structure (bulk-XANES) spectroscopy, micro-X-ray absorption near-edge structure (mu-XANES), and mu-X-ray fluorescence (mu-SXRF) spectroscopy were applied to determine As speciation. Bulk-XANES spectra indicated that As occurs as the As(V) oxidation state. Micro-XANES and mu-SXRF analyses revealed that As was also present as arsenopyrite (FeAsS) and its weathering products, but mostly it was As(V) as poorly crystalline ferric arsenate. This supports the findings of low bioaccessible As and highlights the importance of Fe oxides in immobilizing As in the terrestrial environment. All air particulate samples exhibited As-rich particles (up to 313 mg As kg(-1)). The air particulates exhibited solid-phase As species very similar to those found in the mine samples, which indicates that As in the windblown dust is not easily available.
C1 [Ono, F. B.; Guilherme, L. R. G.] Univ Fed Lavras, Dept Soil Sci, BR-37200000 Lavras, MG, Brazil.
[Tappero, R.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Photon Sci, Beamline X27A, Upton, NY 11973 USA.
[Sparks, D.] Univ Delaware, Delaware Environm Inst, Interdisciplinary Sci & Engn Lab, Newark, DE 19716 USA.
RP Guilherme, LRG (reprint author), Univ Fed Lavras, Dept Soil Sci, CP 3037,Campus UFLA, BR-37200000 Lavras, MG, Brazil.
EM guilherm@dcs.ufla.br
FU CNPq; CAPES; FAPEMIG, Brazil; LNLS/ABTLuS/MCT [11781]; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences; U.S.
Department of Energy-Geosciences [DE-FG02-92ER14244]; University of
Delaware
FX We gratefully acknowledge funding received from CNPq, CAPES, and
FAPEMIG, Brazil. We acknowledge the Brazilian Synchrotron Light
Laboratory-LNLS technical, scientific, and administrative staff for
assisting with the bulk-XAS analysis (project 11781, supported by
LNLS/ABTLuS/MCT). Use of the National Synchrotron Light Source (NSLS),
Brookhaven National Laboratory, was supported by the U.S. Department of
Energy, Office of Science, Office of Basic Energy Sciences. Beamline
X27A at NSLS is supported in part by the U.S. Department of
Energy-Geosciences (DE-FG02-92ER14244 to The University of
Chicago-CARS). We would like to thank the Delaware Environmental
Institute (DENIN) and Environmental Soil Chemistry research group of the
University of Delaware, especially Cecily Moyer and Matt Siebecker for
their assistance during the experimental analyses. Fabio Ono appreciates
the Sandwich Doctorate fellowship for this work funded by Capes, and
also the support of the University of Delaware.
NR 44
TC 1
Z9 1
U1 6
U2 30
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 0944-1344
EI 1614-7499
J9 ENVIRON SCI POLLUT R
JI Environ. Sci. Pollut. Res.
PD JAN
PY 2016
VL 23
IS 1
BP 638
EP 647
DI 10.1007/s11356-015-5304-y
PG 10
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA DB0LJ
UT WOS:000368199300061
PM 26330325
ER
PT S
AU Kramer, S
Laing, J
Bosiljevec, T
Gearhart, J
Boyce, B
AF Kramer, Sharlotte
Laing, John
Bosiljevec, Thomas
Gearhart, Jhana
Boyce, Brad
BE Beese, AM
Zehnder, AT
Xia, S
TI V-Notched Rail Test for Shear-Dominated Deformation of Ti-6Al-4V
SO FRACTURE, FATIGUE, FAILURE AND DAMAGE EVOLUTION, VOL 8
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of the
Society-for-Experimental-Mechanics on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Expt Mech
DE Shear; Failure; Metals; Mechanical properties; Model calibration
ID DUCTILE FRACTURE; GURSON MODEL; FAILURE
AB Evermore sophisticated ductile plasticity and failure models demand experimental material characterization of shear behavior; yet, the mechanics community lacks a widely accepted, standard test method for shear-dominated deformation and failure of ductile metals. We investigated the use of the V-notched rail test, borrowed from the ASTM D7078 standard for shear testing of composites, for shear testing of Ti-6Al-4V titanium alloy sheet material, considering sheet rolling direction and quasi-static and transient load rates. In this paper, we discuss practical aspects of testing, modifications to the specimen geometry, and the experimental shear behavior of Ti-6Al-4V. Specimen installation, machine compliance, specimen-grip slip during testing, and specimen V-notched geometry all influenced the measured specimen behavior such that repeatable shear-dominated behavior was initially difficult to obtain. We will discuss the careful experimental procedure and set of measurements necessary to extract meaningful shear information for Ti-6Al-4V. We also evaluate the merits and deficiencies, including practicality of testing for engineering applications and quality of results, of the V-notched rail test for characterization of ductile shear behavior.
C1 [Kramer, Sharlotte; Laing, John; Bosiljevec, Thomas; Gearhart, Jhana; Boyce, Brad] Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87123 USA.
RP Kramer, S (reprint author), Sandia Natl Labs, 1515 Eubank SE, Albuquerque, NM 87123 USA.
EM slkrame@sandia.gov
NR 11
TC 0
Z9 0
U1 0
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21611-9; 978-3-319-21610-2
J9 C PROC SOC EXP MECH
PY 2016
VL 8
BP 51
EP 60
DI 10.1007/978-3-319-21611-9_7
PG 10
WC Mechanics
SC Mechanics
GA BE1TF
UT WOS:000368505900007
ER
PT J
AU Gazis, R
Kuo, A
Riley, R
Labutti, K
Lipzen, A
Lin, JY
Amirebrahimi, M
Hesse, CN
Spatafora, JW
Henrissat, B
Hainaut, M
Grigoriev, IV
Hibbett, DS
AF Gazis, Romina
Kuo, Alan
Riley, Robert
Labutti, Kurt
Lipzen, Anna
Lin, Junyan
Amirebrahimi, Mojgan
Hesse, Cedar N.
Spatafora, Joseph W.
Henrissat, Bernard
Hainaut, Matthieu
Grigoriev, Igor V.
Hibbett, David S.
TI The genome of Xylona heveae provides a window into fungal endophytism
SO FUNGAL BIOLOGY
LA English
DT Article
DE CAZymes; Glycoside hydrolases; Horizontally transmitted endophytes;
Sapwood endophytes; Symbiotaphrina; Trinosporium
ID PLANT-PATHOGENIC FUNGI; SECONDARY METABOLISM; FILAMENTOUS FUNGI; DECAY
MECHANISMS; NATURAL-PRODUCTS; HOST PREFERENCE; LIFE-STYLE; TRANSPORTERS;
DIVERSITY; PROTEIN
AB Xylona heveae has only been isolated as an endophyte of rubber trees. In an effort to understand the genetic basis of endophytism, we compared the genome contents of X. heveae and 36 other Ascomycota with diverse lifestyles and nutritional modes. We focused on genes that are known to be important in the host fungus interaction interface and that presumably have a role in determining the lifestyle of a fungus. We used phylogenomic data to infer the higher-level phylogenetic position of the Xylonomycetes, and mined ITS sequences to explore its taxonomic and ecological diversity. The X. heveae genome contains a low number of enzymes needed for plant cell wall degradation, suggesting that Xylona is a highly adapted specialist and likely dependent on its host for survival. The reduced repertoire of carbohydrate active enzymes could reflect an adaptation to intercellulary growth and to the avoidance of the host's immune system, suggesting that Xylona has a strictly endophytic lifestyle. Phylogenomic data resolved the position of Xylonomycetes as sister to Lecanoromycetes and Eurotiomycetes and placed the beetle-endosymbiont Symbiotaphrina as a member of this class. ITS data revealed that Trinosporium is also part of the Xylonomycetes, extending the taxonomic and ecological diversity of this group. (C) 2015 The British Mycological Society. Published by Elsevier Ltd. All rights reserved.
C1 [Gazis, Romina; Hibbett, David S.] Clark Univ, Dept Biol, 950 Main St, Worcester, MA 01610 USA.
[Kuo, Alan; Riley, Robert; Labutti, Kurt; Lipzen, Anna; Lin, Junyan; Amirebrahimi, Mojgan; Grigoriev, Igor V.] US DOE, Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA.
[Hesse, Cedar N.; Spatafora, Joseph W.] Oregon State Univ, Dept Bot & Plant Pathol, Corvallis, OR 97331 USA.
[Hesse, Cedar N.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA.
[Henrissat, Bernard; Hainaut, Matthieu] Aix Marseille Univ, CNRS, UMR 7257, Marseille, France.
[Henrissat, Bernard] Aix Marseille Univ, Architecture & Fonct Macromol Biol, F-13288 Marseille 9, France.
[Henrissat, Bernard] King Abdulaziz Univ, Dept Biol Sci, Jeddah 21589, Saudi Arabia.
RP Gazis, R (reprint author), Clark Univ, Dept Biol, 950 Main St, Worcester, MA 01610 USA.
EM rgazis@clarku.edu
RI Fac Sci, KAU, Biol Sci Dept/L-4228-2013
FU NSF [DEB-12008809]; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We are grateful to Betsy Arnold and Kayla Arendt for providing a pure
culture of X. heveae. We thank Daniele Armaleo, Gohn Glanden, Paul Dyer
and Christopher Schardl for granting us permission to use genomic data
from C. grayi, xylariaceous endophytes, X. parietina and E. festucae,
respectively. We also thank Pedro Crous and Cony Decock for providing a
culture of T. guianense in addition to collection data and to Dimitrios
Floudas and Laszlo Nagy for their very helpful comments on this article.
R. Gazis worked on this article while a postdoctoral fellow in the Open
Tree of Life project, supported by the NSF (Grant # DEB-12008809). 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 92
TC 2
Z9 2
U1 7
U2 22
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1878-6146
EI 1878-6162
J9 FUNGAL BIOL-UK
JI Fungal Biol.
PD JAN
PY 2016
VL 120
IS 1
BP 26
EP 42
DI 10.1016/j.funbio.2015.10.002
PG 17
WC Mycology
SC Mycology
GA DB8GC
UT WOS:000368754200002
PM 26693682
ER
PT J
AU Maheshwari, K
Jung, ES
Meng, JY
Morozov, V
Vishwanath, V
Kettimuthu, R
AF Maheshwari, Ketan
Jung, Eun-Sung
Meng, Jiayuan
Morozov, Vitali
Vishwanath, Venkatram
Kettimuthu, Rajkumar
TI Workflow performance improvement using model-based scheduling over
multiple clusters and clouds
SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF ESCIENCE
LA English
DT Article
DE System modeling; Workflow; Optimization; Swift; Clouds
ID ENVIRONMENT; MANAGEMENT; SYSTEM
AB In recent years, a variety of computational sites and resources have emerged, and users often have access to multiple resources that are distributed. These sites are heterogeneous in nature and performance of different tasks in a workflow varies from one site to another. Additionally, users typically have a limited resource allocation at each site capped by administrative policies. In such cases, judicious scheduling strategy is required in order to map tasks in the workflow to resources so that the workload is balanced among sites and the overhead is minimized in data transfer. Most existing systems either run the entire workflow in a single site or use naive approaches to distribute the tasks across sites or leave it to the user to optimize the allocation of tasks to distributed resources. This results in a significant loss in productivity. We propose a multi-site workflow scheduling technique that uses performance models to predict the execution time on resources and dynamic probes to identify the achievable network throughput between sites. We evaluate our approach using real world applications using the Swift parallel and distributed execution framework. We use two distinct computational environments-geographically distributed multiple clusters and multiple clouds. We show that our approach improves the resource utilization and reduces execution time when compared to the default schedule. (c) 2015 Elsevier B.V. All rights reserved.
C1 [Maheshwari, Ketan; Jung, Eun-Sung; Kettimuthu, Rajkumar] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA.
[Meng, Jiayuan; Morozov, Vitali; Vishwanath, Venkatram] Argonne Natl Lab, Leadership Comp Facil Div, Argonne, IL 60439 USA.
RP Maheshwari, K (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ketan@anl.gov; esjung@mcs.anl.gov; meng.jiayuan@gmail.com;
morozov@anl.gov; venkatv@mcs.anl.gov; kettimut@mcs.anl.gov
FU US Department of Energy, Office of Science, Advanced Scientific
Computing Research; RAMSES project [DE-AC02-06CH11357]
FX We thank Gail Pieper of Argonne for proofreading help. This work was
supported in part by the US Department of Energy, Office of Science,
Advanced Scientific Computing Research, and the RAMSES project under
Contract DE-AC02-06CH11357.
NR 40
TC 2
Z9 2
U1 1
U2 10
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0167-739X
EI 1872-7115
J9 FUTURE GENER COMP SY
JI Futur. Gener. Comp. Syst.
PD JAN
PY 2016
VL 54
BP 206
EP 218
DI 10.1016/j.future.2015.03.017
PG 13
WC Computer Science, Theory & Methods
SC Computer Science
GA DB3AZ
UT WOS:000368383200016
ER
PT J
AU Whitfield, RE
Goossens, DJ
Welberry, TR
AF Whitfield, Ross E.
Goossens, Darren J.
Welberry, T. Richard
TI Total scattering and pair distribution function analysis in modelling
disorder in PZN (PbZn1/3Nb2/3O3)
SO IUCRJ
LA English
DT Article
DE total scattering; pair distribution function analysis; modelling
disorder; PZN; single-crystal diffuse scattering
ID DIFFUSE-SCATTERING; RELAXOR FERROELECTRICS; POWDER DIFFRACTOMETER;
MONTE-CARLO; PROGRAM; PEROVSKITES; SIMULATION
AB The ability of the pair distribution function (PDF) analysis of total scattering (TS) from a powder to determine the local ordering in ferroelectric PZN (PbZn1/3Nb2/3O3) has been explored by comparison with a model established using single-crystal diffuse scattering (SCDS). While X-ray PDF analysis is discussed, the focus is on neutron diffraction results because of the greater extent of the data and the sensitivity of the neutron to oxygen atoms, the behaviour of which is important in PZN. The PDF was shown to be sensitive to many effects not apparent in the average crystal structure, including variations in the B-site-O separation distances and the fact that < 110 > Pb2+ displacements are most likely. A qualitative comparison between SCDS and the PDF shows that some features apparent in SCDS were not apparent in the PDF. These tended to pertain to short-range correlations in the structure, rather than to interatomic separations. For example, in SCDS the short-range alternation of the B-site cations was quite apparent in diffuse scattering at (1/2 1/ 2 1/ 2), whereas it was not apparent in the PDF.
C1 [Whitfield, Ross E.; Goossens, Darren J.; Welberry, T. Richard] Australian Natl Univ, Res Sch Chem, GPO Box 4, Canberra, ACT 0200, Australia.
[Whitfield, Ross E.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat, Oak Ridge, TN 37831 USA.
[Goossens, Darren J.] Univ New S Wales, Sch Phys Environm & Math Sci, Canberra, ACT 2600, Australia.
RP Whitfield, RE (reprint author), Australian Natl Univ, Res Sch Chem, GPO Box 4, Canberra, ACT 0200, Australia.; Whitfield, RE (reprint author), Oak Ridge Natl Lab, Neutron Data Anal & Visualizat, Oak Ridge, TN 37831 USA.
EM whitfieldre@ornl.gov
RI Welberry, Thomas/H-7847-2014;
OI Welberry, Thomas/0000-0002-6906-9191; Whitfield,
Ross/0000-0002-9852-1044
FU Australian Institute of Nuclear Science and Engineering; Australian
Research Council; NCI National Facility at the ANU; US Department of
Energy Office of Basic Energy Sciences; DOE [DE-AC52-06NA25396]; US DOE,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357];
Scientific User Facilities Division, Office of Basic Energy Sciences, US
DOE
FX DJG and REW gratefully acknowledge the support of the Australian
Institute of Nuclear Science and Engineering. The support of the
Australian Research Council and the NCI National Facility at the ANU is
also gratefully acknowledged. This work has benefitted from the use of
the NPDF instrument at the Lujan Center, Los Alamos Neutron Science
Center, funded by the US Department of Energy Office of Basic Energy
Sciences. Los Alamos National Laboratory is operated by Los Alamos
National Security LLC under DOE Contract No. DE-AC52-06NA25396. Use of
the Advanced Photon Source was supported by the US DOE, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. Part of this research was sponsored by the Scientific
User Facilities Division, Office of Basic Energy Sciences, US DOE.
NR 37
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U1 2
U2 12
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2052-2525
J9 IUCRJ
JI IUCrJ
PD JAN
PY 2016
VL 3
BP 20
EP 31
DI 10.1107/S2052252515018722
PN 1
PG 12
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DB5YV
UT WOS:000368590900005
PM 26870378
ER
PT J
AU Swift, TD
Nguyen, H
Erdman, Z
Kruger, JS
Nikolakis, V
Vlachos, DG
AF Swift, T. Dallas
Nguyen, Hannah
Erdman, Zachary
Kruger, Jacob S.
Nikolakis, Vladimiros
Vlachos, Dionisios G.
TI Tandem Lewis acid/Bronsted acid-catalyzed conversion of carbohydrates to
5-hydroxymethylfurfural using zeolite beta
SO JOURNAL OF CATALYSIS
LA English
DT Article
DE Tandem reactions; Biomass; Glucose; Fructose; HMF; Isomerization;
Dehydration; Reaction kinetics; Zeolites
ID PHASE FRUCTOSE DEHYDRATION; SOLID-ACID; LEVULINIC ACID; SN-BETA;
ADSORPTION; GLUCOSE; EFFICIENT; KINETICS; ISOMERIZATION; SOLVENT
AB We conduct a combined experimental and computational study to reveal the kinetics of tandem glucose isomerization and fructose dehydration to 5-hydroxymethylfurfural (HMF) over a bifunctional zeolite H-BEA-25 in water. The model accounts for multicomponent adsorption, homogeneous Bronsted acid catalyzed chemistry of fructose, intrinsic heterogeneous Lewis acid catalyzed isomerization, Bronsted acid catalyzed fructose dehydration, HMF rehydration, and humin formation chemistry. The octahedrally coordinated extra-framework Al sites catalyze glucose to fructose isomerization effectively. The activation energy for the isomerization in H-BEA-25 is between those reported for Ti-BEA and Sn-BEA. We reveal that tandem reactions exhibit multiple kinetic regimes. When a bifunctional catalyst with a fixed total number of acid sites is used (e.g., aluminosilicate zeolites), the HMF formation rate exhibits a volcano type curve vs. the Lewis to Bronsted acid site ratio. On the other hand, when the two types of sites are varied independently (e.g., in Sn-BEA and HCl), the HMF formation rate increases and then approaches a plateau with increasing Bronsted acid site density. These appear to be generic features of tandem reactions catalyzed by multiple or multifunctional catalysts. We show that materials with stronger sugar adsorption would produce HMF in significantly higher yields and higher rate than H-BEA. When HMF degradation reactions are suppressed, a ratio of Lewis to Bronsted acid sites of similar to 0.3 maximizes the HMF rate produced from glucose and the HMF yield (which is predicted to be similar to 60% at 130 degrees C). These predictions provide a framework for understanding and improving tandem reactions catalyzed by heterogeneous catalysts. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Swift, T. Dallas; Nguyen, Hannah; Kruger, Jacob S.; Nikolakis, Vladimiros; Vlachos, Dionisios G.] Univ Delaware, Catalysis Ctr Energy Innovat, Dept Chem & Biomol Engn, 221 Acad St, Newark, DE 19716 USA.
[Erdman, Zachary] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA.
[Kruger, Jacob S.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Nikolakis, V; Vlachos, DG (reprint author), Univ Delaware, Catalysis Ctr Energy Innovat, Dept Chem & Biomol Engn, 221 Acad St, Newark, DE 19716 USA.
EM vlad@udel.edu; vlachos@udel.edu
OI Vlachos, Dionisios/0000-0002-6795-8403
FU Catalysis Center for Energy Innovation, an Energy Frontier Research
Center - US Dept. of Energy, Office of Science, Office of Basic Energy
Sciences [DE-SC0001004]
FX This work was supported as part of the Catalysis Center for Energy
Innovation, an Energy Frontier Research Center funded by the US Dept. of
Energy, Office of Science, Office of Basic Energy Sciences under award
number DE-SC0001004. We would also like to acknowledge fruitful
discussions with Prof. Ray Gorte. We would also like to thank Dr.
Guangjin Hou for assistance with the 27Al NMR analysis and
Brian Murphy for his help with the in situ FTIR adsorption experiments.
NR 59
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U1 41
U2 124
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 0021-9517
EI 1090-2694
J9 J CATAL
JI J. Catal.
PD JAN
PY 2016
VL 333
BP 149
EP 161
DI 10.1016/j.jcat.2015.10.009
PG 13
WC Chemistry, Physical; Engineering, Chemical
SC Chemistry; Engineering
GA DB5QM
UT WOS:000368568700015
ER
PT J
AU Posselt, DJ
Fryxell, B
Molod, A
Williams, B
AF Posselt, Derek J.
Fryxell, Bruce
Molod, Andrea
Williams, Brian
TI Quantitative Sensitivity Analysis of Physical Parameterizations for
Cases of Deep Convection in the NASA GEOS-5
SO JOURNAL OF CLIMATE
LA English
DT Article
ID SOUTH CHINA SEA; ATMOSPHERE RESPONSE EXPERIMENT; SUMMER MONSOON
PRECIPITATION; GENERAL-CIRCULATION MODELS; SIMULATED RADAR DATA; ROOT
KALMAN FILTER; TOGA-COARE; MICROPHYSICAL PARAMETERS; SINGLE-COLUMN;
CLIMATE MODEL
AB Parameterization of processes that occur on length scales too small to resolve on a computational grid is a major source of uncertainty in global climate models. This study investigates the relative importance of a number of parameters used in the Goddard Earth Observing System Model, version 5 (GEOS-5), atmospheric general circulation model, focusing on cloud, convection, and boundary layer parameterizations. Latin hypercube sampling is used to generate a few hundred sets of 19 candidate physics parameters, which are subsequently used to generate ensembles of single-column model realizations of cloud content, precipitation, and radiative fluxes for four different field campaigns. A Gaussian process model is then used to create a computationally inexpensive emulator for the simulation code that can be used to determine a measure of relative parameter sensitivity by sampling the response surface for a very large number of input parameter sets. Parameter sensitivities are computed for different geographic locations and seasons to determine whether the intrinsic sensitivity of the model parameterizations changes with season and location. The results indicate the same subset of parameters collectively control the model output across all experiments, independent of changes in the environment. These are the threshold relative humidity for cloud formation, the ice fall speeds, convective and large-scale autoconversion, deep convection relaxation time scale, maximum convective updraft diameter, and minimum ice effective radius. However, there are differences in the degree of parameter sensitivity between continental and tropical convective cases, as well as systematic changes in the degree of parameter influence and parameter-parameter interaction.
C1 [Posselt, Derek J.; Fryxell, Bruce] Univ Michigan, Ann Arbor, MI 48109 USA.
[Molod, Andrea] Univ Maryland, College Pk, MD 20742 USA.
[Williams, Brian] Los Alamos Natl Lab, Los Alamos, NM USA.
RP Posselt, DJ (reprint author), Univ Michigan, Dept Atmospher Ocean & Space Sci, 2455 Hayward St, Ann Arbor, MI 48109 USA.
EM dposselt@umich.edu
OI Williams, Brian/0000-0002-3465-4972
FU NASA Modeling Analysis and Prediction Grant [NNX09AJ43G]
FX This work was supported by NASA Modeling Analysis and Prediction Grant
NNX09AJ43G. The comments of two external reviewers were instrumental in
helping us to focus the analysis and clarify the presentation.
Simulations were run on NASA's Advanced Supercomputing Pleiades machine.
NR 92
TC 0
Z9 0
U1 6
U2 17
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD JAN
PY 2016
VL 29
IS 2
BP 455
EP 479
DI 10.1175/JCLI-D-15-0250.1
PG 25
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DB6OC
UT WOS:000368633300002
ER
PT J
AU Caldwell, PM
Zelinka, MD
Taylor, KE
Marvel, K
AF Caldwell, Peter M.
Zelinka, Mark D.
Taylor, Karl E.
Marvel, Kate
TI Quantifying the Sources of Intermodel Spread in Equilibrium Climate
Sensitivity
SO JOURNAL OF CLIMATE
LA English
DT Article
DE Physical Meteorology and Climatology; Climate sensitivity; Feedback;
Forcing; Mathematical and statistical techniques; Statistics; Models and
modeling; Climate models
ID RADIATIVE KERNEL TECHNIQUE; OCEAN-ATMOSPHERE MODELS; FEEDBACK;
DEPENDENCE; CLOUDS; ECMWF; CO2
AB This study clarifies the causes of intermodel differences in the global-average temperature response to doubled CO2, commonly known as equilibrium climate sensitivity (ECS). The authors begin by noting several issues with the standard approach for decomposing ECS into a sum of forcing and feedback terms. This leads to a derivation of an alternative method based on linearizing the effect of the net feedback. Consistent with previous studies, the new method identifies shortwave cloud feedback as the dominant source of intermodel spread in ECS. This new approach also reveals that covariances between cloud feedback and forcing, between lapse rate and longwave cloud feedbacks, and between albedo and shortwave cloud feedbacks play an important and previously underappreciated role in determining model differences in ECS. Defining feedbacks based on fixed relative rather than specific humidity (as suggested by Held and Shell) reduces the covariances between processes and leads to more straightforward interpretations of results.
C1 [Caldwell, Peter M.; Zelinka, Mark D.; Taylor, Karl E.; Marvel, Kate] Lawrence Livermore Natl Lab, L-103,POB 808, Livermore, CA 94566 USA.
[Marvel, Kate] NASA, Goddard Inst Space Studies, New York, NY 10025 USA.
RP Caldwell, PM (reprint author), Lawrence Livermore Natl Lab, L-103,POB 808, Livermore, CA 94566 USA.
EM caldwell19@llnl.gov
RI Taylor, Karl/F-7290-2011; Zelinka, Mark/C-4627-2011
OI Taylor, Karl/0000-0002-6491-2135; Zelinka, Mark/0000-0002-6570-5445
FU Office of Science (BER) at Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; BER's Regional and Global Climate Modeling (RGCM)
Program
FX We would like to acknowledge the modeling groups [the Program for
Climate Model Diagnosis and Intercomparison (PCMDI) and the World
Climate Research Programme's Working Group on Coupled Modelling] for
their roles in making available the CMIP5 multimodel dataset. Thanks
also go to Thomas Reichler for making his WMO tropopause code publicly
available. Support for these datasets is provided by the U.S. Department
of Energy (DOE) Office of Science. This work was supported by the Office
of Science (BER) at Lawrence Livermore National Laboratory under
Contract DE-AC52-07NA27344. All authors were supported by BER's Regional
and Global Climate Modeling (RGCM) Program.
NR 38
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U1 3
U2 16
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD JAN
PY 2016
VL 29
IS 2
BP 513
EP 524
DI 10.1175/JCLI-D-15-0352.1
PG 12
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DB6OH
UT WOS:000368633800001
ER
PT J
AU Pedersen, RA
Cvijanovic, I
Langen, PL
Vinther, BM
AF Pedersen, Rasmus A.
Cvijanovic, Ivana
Langen, Peter L.
Vinther, Bo M.
TI The Impact of Regional Arctic Sea Ice Loss on Atmospheric Circulation
and the NAO
SO JOURNAL OF CLIMATE
LA English
DT Article
DE Geographic location; entity; Arctic; Sea ice; Circulation; Dynamics;
Atmospheric circulation; Atm; Ocean Structure; Phenomena; North Atlantic
Oscillation; Models and modeling; General circulation models
ID NORTH-ATLANTIC OSCILLATION; CLIMATE MODEL; WINTER CIRCULATION; EASTWARD
SHIFT; AMPLIFICATION; CCM3; VARIABILITY; SENSITIVITY; STORMINESS;
SIMULATION
AB Reduction of the Arctic sea ice cover can affect the atmospheric circulation and thus impact the climate beyond the Arctic. The atmospheric response may, however, vary with the geographical location of sea ice loss. The atmospheric sensitivity to the location of sea ice loss is studied using a general circulation model in a configuration that allows combination of a prescribed sea ice cover and an active mixed layer ocean. This hybrid setup makes it possible to simulate the isolated impact of sea ice loss and provides a more complete response compared to experiments with fixed sea surface temperatures. Three investigated sea ice scenarios with ice loss in different regions all exhibit substantial near-surface warming, which peaks over the area of ice loss. The maximum warming is found during winter, delayed compared to the maximum sea ice reduction. The wintertime response of the midlatitude atmospheric circulation shows a nonuniform sensitivity to the location of sea ice reduction. While all three scenarios exhibit decreased zonal winds related to high-latitude geopotential height increases, the magnitudes and locations of the anomalies vary between the simulations. Investigation of the North Atlantic Oscillation reveals a high sensitivity to the location of the ice loss. The northern center of action exhibits clear shifts in response to the different sea ice reductions. Sea ice loss in the Atlantic and Pacific sectors of the Arctic cause westward and eastward shifts, respectively.
C1 [Pedersen, Rasmus A.; Vinther, Bo M.] Univ Copenhagen, Niels Bohr Inst, Ctr Ice & Climate, Juliane Maries Vej 30, DK-2100 Copenhagen, Denmark.
[Pedersen, Rasmus A.; Langen, Peter L.] Danish Meteorol Inst, Climate & Arctic Res, Copenhagen, Denmark.
[Cvijanovic, Ivana] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA USA.
RP Pedersen, RA (reprint author), Univ Copenhagen, Niels Bohr Inst, Ctr Ice & Climate, Juliane Maries Vej 30, DK-2100 Copenhagen, Denmark.
EM anker@nbi.ku.dk
RI Pedersen, Rasmus/P-5388-2015
OI Pedersen, Rasmus/0000-0002-4659-8031
FU European Research Council under the European Union's Seventh Framework
Programme (FP7)/ERC, ice2ice project [610055]; Danish National Research
Foundation through the Centre for Ice and Climate at the Niels Bohr
Institute
FX The authors thank Ken Caldeira for invaluable suggestions for the
experiments and analysis. We are grateful to the Department of Global
Ecology at the Carnegie Institution for Science in Stanford, California,
for hosting R. Pedersen and facilitating this research, and to the
Center for Computational Earth and Environmental Science at Stanford
University for providing the computational resources required for this
project. The research leading to these results has received funding from
the European Research Council under the European Union's Seventh
Framework Programme (FP7/2007-2013)/ERC Grant Agreement 610055 as part
of the ice2ice project. The authors acknowledge the support of the
Danish National Research Foundation through the Centre for Ice and
Climate at the Niels Bohr Institute. We thank the editor and three
anonymous reviewers for insightful suggestions that helped improve the
manuscript.
NR 64
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Z9 6
U1 5
U2 16
PU AMER METEOROLOGICAL SOC
PI BOSTON
PA 45 BEACON ST, BOSTON, MA 02108-3693 USA
SN 0894-8755
EI 1520-0442
J9 J CLIMATE
JI J. Clim.
PD JAN
PY 2016
VL 29
IS 2
BP 889
EP 902
DI 10.1175/JCLI-D-15-0315.1
PG 14
WC Meteorology & Atmospheric Sciences
SC Meteorology & Atmospheric Sciences
GA DB6QO
UT WOS:000368640200003
ER
PT J
AU Berry, PC
Heintz, PH
Siergiej, D
AF Berry, P. C.
Heintz, P. H.
Siergiej, D.
TI Radiation Dose to an Internal Component
SO MATERIALS EVALUATION
LA English
DT Article
DE dosimetry; heterogeneity correction; megavolt energy; radiography
ID INTERFACES
AB The advent of digital radiography and high-speed cone beam computed tomography for routine nondestructive testing has revolutionized industrial inspection and quality assurance programs over the past decade. While exposure time for a single digital radiography image is typically much less than that required to obtain a comparable film-screen image, the large number of sequential digital radiography images generated during today's digital radiography and computed tomography inspections can result in significantly higher overall radiation dosage as compared to when film screen was the standard radiographic technique. Knowing the internal dose received by both the digital X-ray panel and the individual internal components in a part under inspection can help avoid unexpected damage and assist in performing failure analysis. This paper reviews the source-to-surface technique to manually calculate radiation dose at an internal interface for source energies in the megaelectronvolt range, typical of those encountered when testing larger industrial objects, and provides examples demonstrating the calculation of the various parameters required. A future paper will discuss required modifications for applications in the kilovolt range.
C1 [Berry, P. C.; Heintz, P. H.] Univ New Mexico, Dept Radiol, Albuquerque, NM 87131 USA.
[Berry, P. C.] Los Alamos Natl Lab, Los Alamos, NM USA.
[Siergiej, D.] Univ New Mexico, Canc Ctr, Albuquerque, NM 87131 USA.
RP Berry, PC (reprint author), Univ New Mexico, Dept Radiol, Albuquerque, NM 87131 USA.
NR 13
TC 0
Z9 0
U1 2
U2 2
PU AMER SOC NONDESTRUCTIVE TEST
PI COLUMBUS
PA 1711 ARLINGATE LANE PO BOX 28518, COLUMBUS, OH 43228-0518 USA
SN 0025-5327
J9 MATER EVAL
JI Mater. Eval.
PD JAN
PY 2016
VL 74
IS 1
BP 90
EP 95
PG 6
WC Materials Science, Characterization & Testing
SC Materials Science
GA DB3BG
UT WOS:000368383900013
ER
PT S
AU Chambers, RS
Stavig, ME
Tandon, R
AF Chambers, Robert S.
Stavig, Mark E.
Tandon, Rajan
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Viscoelasticity of Glass-Forming Materials: What About Inorganic Sealing
Glasses?
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Nonlinear; Viscoelasticity; Polymers; Modeling; Glasses
ID THERMODYNAMICALLY CONSISTENT; TEMPERATURE DEPENDENCE; POLYMERS; MODEL;
RELAXATION
AB Glass forming materials like polymers exhibit a variety of complex, nonlinear, time-dependent relaxations in volume, enthalpy and stress, all of which affect material performance and aging. Durable product designs rely on the capability to predict accurately how these materials will respond to mechanical loading and temperature regimes over prolonged exposures to operating environments. This cannot be achieved by developing a constitutive framework to fit only one or two types of experiments. Rather, it requires a constitutive formalism that is quantitatively predictive to engineering accuracy for the broad range of observed relaxation behaviors. Moreover, all engineering analyses must be performed from a single set of material model parameters. The rigorous nonlinear viscoelastic Potential Energy Clock (PEC) model and its engineering phenomenological equivalent, the Simplified Potential Energy Clock (SPEC) model, were developed to fulfill such roles and have been applied successfully to thermoplastics and filled and unfilled thermosets. Recent work has provided an opportunity to assess the performance of the SPEC model in predicting the viscoelastic behavior of an inorganic sealing glass. This presentation will overview the history of PEC and SPEC and describe the material characterization, model calibration and validation associated with the high Tg (similar to 460 degrees C) sealing glass.
C1 [Chambers, Robert S.; Stavig, Mark E.; Tandon, Rajan] Sandia Natl Labs, POB 8500, Albuquerque, NM 87185 USA.
RP Chambers, RS (reprint author), Sandia Natl Labs, POB 8500, Albuquerque, NM 87185 USA.
EM rtandon@sandia.gov
NR 7
TC 0
Z9 0
U1 0
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 81
EP 88
DI 10.1007/978-3-319-21762-8_10
PG 8
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900010
ER
PT S
AU Neilsen, MK
Lu, WY
Scherzinger, WM
Hinnerichs, TD
Lo, CS
AF Neilsen, Michael K.
Lu, Wei-Yang
Scherzinger, William M.
Hinnerichs, Terry D.
Lo, Chi S.
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Unified Creep Plasticity Damage (UCPD) Model for Rigid Polyurethane
Foams
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Polyurethane foam; Cellular solid; Constitutive model; Fracture; Unified
Creep Plasticity
AB Experiments were performed to characterize the mechanical response of several different rigid polyurethane foams to large deformation. In these experiments, the effects of load path, loading rate, and temperature were investigated. Results from these experiments indicated that rigid polyurethane foams exhibit significant damage, volumetric and deviatoric plasticity when they are compressed. Rigid polyurethane foams were also found to be extremely strain-rate and temperature dependent. These foams are also rather brittle and crack when loaded to small strains in tension or to larger strains in compression. Thus, a phenomenological Unified Creep Plasticity Damage (UCPD) model was developed to describe the mechanical response of these foams to large deformation at a variety of temperatures and strain rates. This paper includes a description of recent experiments and experimental findings. Next, development of a UCPD model for rigid, polyurethane foams is described. Finite element simulations with the new UCPD model are compared with experimental results to show behavior that can be captured with this model.
C1 [Neilsen, Michael K.; Scherzinger, William M.; Hinnerichs, Terry D.; Lo, Chi S.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
[Lu, Wei-Yang] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Neilsen, MK (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM mkneils@sandia.gov
NR 9
TC 0
Z9 0
U1 1
U2 4
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 89
EP 97
DI 10.1007/978-3-319-21762-8_11
PG 9
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900011
ER
PT S
AU Li, WL
Brown, EN
Rae, PJ
Gazonas, G
Negahban, M
AF Li, Wenlong
Brown, Eric N.
Rae, Philip J.
Gazonas, George
Negahban, Mehrdad
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Mechanical Characterization and Preliminary Modeling of PEEK
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Poly-ether-ether-ketone (PEEK); Equilibrium stress; Plastic flow;
Anisotropic elasticity; Mechanical modeling
ID GLASSY POLYCARBONATE; ANISOTROPIES; EVOLUTION; SHEAR
AB Poly-ether-ether-ketone (PEEK) is a high-performance semi-crystalline polymer with mechanical and thermal stability characteristics that are superior to most tough polymers. The mechanical characteristics of this polymer are modeled over a broad range of mechanical loading conditions using a thermodynamically consistent modeling process. This preliminary model, which ignores the thermal response and the possible recrystallization of this material during loading, shows an outstanding ability to capture the multidimensional nonlinear response of PEEK up to 60 % compression, with loading rates from 0.0001 to 3000 1/s at room temperature. The model includes the measured anisotropy in the wave response that develops with plastic flow, captures the evolution of the measured equilibrium stress, and correctly matches the evolution of the tangent modulus at equilibrium. This broad range of rates and experimental conditions are achieved by using a two-element nonlinear thermodynamically-consistent model.
C1 [Li, Wenlong; Negahban, Mehrdad] Univ Nebraska, Mech & Mat Engn, Lincoln, NE 68588 USA.
[Brown, Eric N.; Rae, Philip J.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
[Gazonas, George] US Army Res Lab, Aberdeen Proving Ground, MD 21005 USA.
RP Negahban, M (reprint author), Univ Nebraska, Mech & Mat Engn, Lincoln, NE 68588 USA.
EM mnegahban@unl.edu
OI Brown, Eric/0000-0002-6812-7820
NR 15
TC 0
Z9 0
U1 2
U2 8
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 209
EP 218
DI 10.1007/978-3-319-21762-8_25
PG 10
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900025
ER
PT S
AU Lu, WY
AF Lu, Wei-Yang
BE Ralph, C
Silberstein, M
Thakre, PR
Singh, R
TI Compression of Silicone Foams
SO MECHANICS OF COMPOSITE AND MULTIFUNCTIONAL MATERIALS, VOL 7
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Silicone foam; Compression; Friction; Stress-strain; Soft materials
AB Silicone foams are used as cushions for impact protection. They are soft and will recover from very large deformation with little damage. Understanding their compression behaviors in high performance environments and providing necessary calibration and validation data for constitutive models are highly important. Characterizing these soft materials, however, is quite challenging. In this study, the foam deformation is carefully studied. With a new compression experimental setup, the force and displacement fields at the foam-platen interface are examined in detail. These additional data will be used to compute the compressive stress-stain behavior of the soft material. The experimental method and foams compression results are presented.
C1 [Lu, Wei-Yang] Sandia Natl Labs, Livermore, CA 94551 USA.
RP Lu, WY (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA.
EM wlu@sandia.gov
NR 0
TC 0
Z9 0
U1 1
U2 6
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21762-8; 978-3-319-21761-1
J9 C PROC SOC EXP MECH
PY 2016
BP 225
EP 230
DI 10.1007/978-3-319-21762-8_27
PG 6
WC Engineering, Mechanical; Materials Science, Multidisciplinary
SC Engineering; Materials Science
GA BE1SW
UT WOS:000368488900027
ER
PT J
AU Budworth, H
Lee, DY
McMurray, C
Ross, C
AF Budworth, H.
Lee, D. Y.
McMurray, C.
Ross, C.
TI Metabolic Biomarkers of Huntington Disease.
SO NEUROTHERAPEUTICS
LA English
DT Meeting Abstract
C1 [Budworth, H.; McMurray, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Lee, D. Y.] Kookmin Univ, Dept Bio & Fermentat Convergence Technol, Seoul, South Korea.
[Ross, C.] Johns Hopkins Med, Baltimore, MD USA.
NR 0
TC 0
Z9 0
U1 1
U2 1
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1933-7213
EI 1878-7479
J9 NEUROTHERAPEUTICS
JI Neurotherapeutics
PD JAN
PY 2016
VL 13
IS 1
MA 4
BP 245
EP 245
PG 1
WC Clinical Neurology; Neurosciences; Pharmacology & Pharmacy
SC Neurosciences & Neurology; Pharmacology & Pharmacy
GA DB5SU
UT WOS:000368574700034
ER
PT J
AU Mesina, GL
Aumiller, DL
Busehman, FX
AF Mesina, G. L.
Aumiller, D. L.
Busehman, F. X.
TI Extremely Accurate Sequential Verification of RELAP5-3D
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE RELAP5-3D; verification; governing equations
AB Large computer programs like RELAP5-3D solve complex systems of governing, closure, and special process equations to model the underlying physics of thermal-hydraulic systems and include specialized physics for the modeling of nuclear power plants. Further, these programs incorporate other mechanisms for selecting optional code physics, input, output, data management, user interaction, and post-processing. Before being released to users, software quality assurance requires verification and validation. RELAP5-3D verification and validation are focused toward nuclear power plant applications. Verification ensures that the program is built right by checking that it meets its design specifications, comparing coding algorithms to equations, comparing calculations against analytical solutions, and the method of manufactured solutions.
Sequential verification performs these comparisons initially, but thereafter only compares code calculations between consecutive code versions to demonstrate that no unintended changes have been introduced. An automated, highly accurate sequential verification method, based on previous work by Aumiller, has been developed for RELAP5-3D. It provides the ability to test that no unintended consequences result from code development. Moreover, it provides the means to test the following code capabilities: repeated time-step advancement, runs continued from a restart file, and performance of coupled analyses using the R5EXEC executive program. Analyses of the adequacy of the checks used in these comparisons are provided.
C1 [Mesina, G. L.] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
[Aumiller, D. L.; Busehman, F. X.] Bettis Atom Power Lab, 814 Pittsburgh McKeesport Blvd, West Mifflin, PA 15122 USA.
RP Mesina, GL (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
EM george.mesina@inl.gov
NR 14
TC 0
Z9 0
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP 1
EP 12
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400003
ER
PT J
AU Mesina, GL
AF Mesina, G. L.
TI A History of RELAP Computer Codes
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Editorial Material
C1 [Mesina, G. L.] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
RP Mesina, GL (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
NR 0
TC 0
Z9 0
U1 2
U2 2
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP V
EP IX
PG 5
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400002
ER
PT J
AU Mesina, GL
Aumiller, DL
Buschman, FX
Kyle, MR
AF Mesina, G. L.
Aumiller, D. L.
Buschman, F. X.
Kyle, M. R.
TI Modeling Moving Systems with RELAP5-3D
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE RELAP5-3D; noninertial frame; Euler angles
AB The RELAP5-3D code is typically used to model stationary, land-based, thermal-hydraulic systems and contains specialized physics for the modeling of nuclear power plants. It can also model thermal-hydraulic systems in other inertial and accelerating frames of reference. By changing the magnitude of the gravitational vector through user input, RELAP5-3D can model thermal-hydraulic systems on planets, moons, and space stations. Additionally, the field equations were modified to model thermal-hydraulic systems in a noninertial frame, such as occur onboard moving craft or during earthquakes for land-based systems.
Transient body forces affect fluid flow in thermal-fluid machinery aboard accelerating crafts during rotational and translational accelerations. It is useful to express the equations of fluid motion in the accelerating frame of reference attached to the moving craft. However, careful treatment of the rotational and translational kinematics is required to accurately capture the physics of fluid motion. Correlations for flow at angles between horizontal and vertical are generated via interpolation because limited experimental data exist.
Equations for three-dimensional fluid motion in a noninertial frame of reference are developed. Two different systems for describing rotational motion are presented, user input is discussed, and examples of a modeled simple thermal-hydraulic system undergoing both rotational and translational motion are provided.
C1 [Mesina, G. L.] Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
[Aumiller, D. L.; Buschman, F. X.; Kyle, M. R.] Bettis Atom Power Lab, 814 Pittsburgh McKeesport Blvd, West Mifflin, PA 15122 USA.
RP Mesina, GL (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83402 USA.
EM george.mesina@inl.gov
NR 6
TC 1
Z9 1
U1 0
U2 0
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP 83
EP 95
PG 13
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400007
ER
PT J
AU Rabiti, C
Alfonsi, A
Epiney, A
AF Rabiti, C.
Alfonsi, A.
Epiney, A.
TI New Simulation Schemes and Capabilities for the PHISICS/RELAP5-3D
Coupled Suite
SO NUCLEAR SCIENCE AND ENGINEERING
LA English
DT Article
DE RELAP5-3D; PHISICS; depletion
AB PHISICS (Parallel and Highly Innovative Simulation for INL Code System) is a reactor physics package developed at the Idaho National Laboratory. It is composed of several modules: a nodal and semi structured transport core solver (INSTANT), a depletion module (MRTAU), a time-dependent solver (TimeIntegrator), a cross-section interpolation and manipulation framework (MIXER), a criticality search module (CRITICALITY), and a fuel management and shuffling component (SHUFFLE). The PHISICS code has been coupled to the RELAP5-3D thermal-hydraulics code. Flexibility in the coupling among the different modules and with RELAP5-3D allows for several new integrated computational schemes and improvements with respect to current available options using NESTLE/RELAP5-3D. These schemes will be described in this paper. Moreover, the whole PHISICS package is fully parallelized, using the Message Passing Interface protocol. This allows for reduced computational times, while providing the capability to solve very detailed problems.
C1 [Rabiti, C.; Alfonsi, A.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Epiney, A.] Paul Scherrer Inst, Villigen, Switzerland.
RP Rabiti, C (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM cristian.rabiti@inl.gov
OI Alfonsi, Andrea/0000-0003-2866-4346
NR 11
TC 1
Z9 1
U1 1
U2 1
PU AMER NUCLEAR SOC
PI LA GRANGE PK
PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA
SN 0029-5639
EI 1943-748X
J9 NUCL SCI ENG
JI Nucl. Sci. Eng.
PD JAN
PY 2016
VL 182
IS 1
BP 104
EP 118
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DB5RN
UT WOS:000368571400009
ER
PT J
AU Garcia-Forner, N
Adams, HD
Sevanto, S
Collins, AD
Dickman, LT
Hudson, PJ
Zeppel, MJB
Jenkins, M
Powers, H
Martinez-Vilalta, J
McDowell, NG
AF Garcia-Forner, Nuria
Adams, Henry D.
Sevanto, Sanna
Collins, Adam D.
Dickman, Lee T.
Hudson, Patrick J.
Zeppel, Melanie J. B.
Jenkins, Michael W.
Powers, Heath
Martinez-Vilalta, Jordi
McDowell, Nate G.
TI Responses of two semiarid conifer tree species to reduced precipitation
and warming reveal new perspectives for stomatal regulation
SO PLANT CELL AND ENVIRONMENT
LA English
DT Article
DE carbon starvation; drought; global change; hydraulic conductivity;
hydraulic failure; increased temperature; iso- versus anisohydric
behaviour; mortality; stomatal conductance
ID PINYON-JUNIPER WOODLAND; CHANGE-TYPE DROUGHT; VAPOR-PRESSURE DEFICIT;
LEAF GAS-EXCHANGE; REGIONAL DIE-OFF; PINUS-EDULIS; ANISOHYDRIC
BEHAVIORS; VEGETATION MORTALITY; EVAPORATIVE DEMAND; CARBON METABOLISM
AB Relatively anisohydric species are predicted to be more predisposed to hydraulic failure than relatively isohydric species, as they operate with narrower hydraulic safety margins. We subjected co-occurring anisohydric Juniperus monosperma and isohydric Pinus edulis trees to warming, reduced precipitation, or both, and measured their gas exchange and hydraulic responses. We found that reductions in stomatal conductance and assimilation by heat and drought were more frequent during relatively moist periods, but these effects were not exacerbated in the combined heat and drought treatment. Counter to expectations, both species exhibited similar gs temporal dynamics in response to drought. Further, whereas P. edulis exhibited chronic embolism, J. monosperma showed very little embolism due to its conservative stomatal regulation and maintenance of xylem water potential above the embolism entry point. This tight stomatal control and low levels of embolism experienced by juniper refuted the notion that very low water potentials during drought are associated with loose stomatal control and with the hypothesis that anisohydric species are more prone to hydraulic failure than isohydric species. Because direct association of stomatal behaviour with embolism resistance can be misleading, we advocate consideration of stomatal behaviour relative to embolism resistance for classifying species drought response strategies.
C1 [Garcia-Forner, Nuria; Martinez-Vilalta, Jordi] CREAF, Cerdanyola Del Valles 08193, Spain.
[Garcia-Forner, Nuria; Martinez-Vilalta, Jordi] Univ Autonoma Barcelona, Cerdanyola Del Valles 08193, Spain.
[Adams, Henry D.; Sevanto, Sanna; Collins, Adam D.; Dickman, Lee T.; Powers, Heath; McDowell, Nate G.] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA.
[Hudson, Patrick J.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
[Zeppel, Melanie J. B.] Macquarie Univ, Dept Biol Sci, Sydney, NSW 2109, Australia.
[Jenkins, Michael W.] Univ Calif Santa Cruz, Dept Environm Studies, Santa Cruz, CA 95064 USA.
RP Garcia-Forner, N (reprint author), CREAF, Cerdanyola Del Valles 08193, Spain.
EM n.garcia@creaf.uab.es
RI Martinez-Vilalta, Jordi/D-3385-2014;
OI Martinez-Vilalta, Jordi/0000-0002-2332-7298; Zeppel,
Melanie/0000-0002-5510-0936; Garcia-Forner, Nuria/0000-0002-7788-0718
FU DOE-Office of Science, Office of Biological and Environmental Research;
Spanish Ministry of Economy and Competitiveness (MINECO)
[CGL2013-46808-R]; FPI scholarship from the MINECO [CGL2010-16373];
Australian Research Council Early Career Researcher fellowship (DECRA);
Los Alamos National Laboratory LDRD
FX We would like to thank the research assistant Jessica Wilks who was
involved in this study. This study was supported by DOE-Office of
Science, Office of Biological and Environmental Research, the Spanish
Ministry of Economy and Competitiveness (MINECO) via competitive grant
CGL2013-46808-R. N.G.F. was supported by an FPI scholarship from the
MINECO associated to grant CGL2010-16373. M.Z. was supported by an
Australian Research Council Early Career Researcher fellowship (DECRA).
H.D.A. was supported by Los Alamos National Laboratory LDRD Director's
Fellowship.
NR 54
TC 15
Z9 15
U1 17
U2 51
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0140-7791
EI 1365-3040
J9 PLANT CELL ENVIRON
JI Plant Cell Environ.
PD JAN
PY 2016
VL 39
IS 1
BP 38
EP 49
DI 10.1111/pce.12588
PG 12
WC Plant Sciences
SC Plant Sciences
GA DB4QZ
UT WOS:000368499500005
PM 26081870
ER
PT J
AU Fuerst, TF
Reese, MO
Wolden, CA
AF Fuerst, Thomas F.
Reese, Matthew O.
Wolden, Colin A.
TI PECVD Synthesis of Flexible Optical Coatings for Renewable Energy
Applications
SO PLASMA PROCESSES AND POLYMERS
LA English
DT Article
DE nanolayers; optical coatings; plasma-enhanced chemical vapor deposition
(PECVD); silicone
ID TIO2/SIO2 MULTILAYER; ANATASE TIO2; THIN-FILMS; DEPOSITION; TECHNOLOGY;
POLYMERS; MIRRORS
AB The design, fabrication, and evaluation of flexible, multilayer optical coatings deposited by plasma-enhanced chemical vapor deposition at low temperature are demonstrated using hybrid nanolaminates consisting of TiO2 and silicone (SiOxCyHz) as the high and low refractive index materials, respectively. A broadband anti-reflection coating was designed and deposited onto a variety of substrates including flexible polyethylene terephthalate (PET) and CdTe solar cells which was shown to increase absolute transmission by an average of 3% over 410-850nm wavelengths and results in a commensurate increase in short circuit current density. An infrared reflector was designed and applied to PET which was found to provide 70% reflectance in the near-IR while maintaining >80% transmittance for visible light. The optical performance of these flexible coatings on PET remained unchanged after automated bend testing, and were shown to be robust with respect to humidity and thermal shock tests.
C1 [Fuerst, Thomas F.; Wolden, Colin A.] Colorado Sch Mines, Dept Chem & Biol Engn, 1500 Illinois St, Golden, CO 80401 USA.
[Reese, Matthew O.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA.
RP Wolden, CA (reprint author), Colorado Sch Mines, Dept Chem & Biol Engn, 1500 Illinois St, Golden, CO 80401 USA.
EM cwolden@mines.edu
FU Colorado Office of Economic Development and International Trade; U.S.
Department of Energy through the SunShot Foundational Program to Advance
Cell Efficiency (F-PACE) [DE-AC36-08-GO28308]
FX We would like to thank the Colorado Office of Economic Development and
International Trade for financial support of this work. We greatly
appreciate Ms. Jiaojiao Li for providing solar cells and conducting J-V
measurements through the support of the Bay Area Photovoltaic
Consortium. MR was supported by the U.S. Department of Energy through
the SunShot Foundational Program to Advance Cell Efficiency (F-PACE)
under Contract No. DE-AC36-08-GO28308.
NR 36
TC 0
Z9 0
U1 2
U2 5
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1612-8850
EI 1612-8869
J9 PLASMA PROCESS POLYM
JI Plasma Process. Polym.
PD JAN
PY 2016
VL 13
IS 1
SI SI
BP 184
EP 190
DI 10.1002/ppap.201500114
PG 7
WC Physics, Applied; Physics, Fluids & Plasmas; Physics, Condensed Matter;
Polymer Science
SC Physics; Polymer Science
GA DB4AD
UT WOS:000368454200014
ER
PT J
AU Rycroft, CH
Bazant, MZ
AF Rycroft, Chris H.
Bazant, Martin Z.
TI Asymmetric collapse by dissolution or melting in a uniform flow
SO PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING
SCIENCES
LA English
DT Article
DE conformal mapping; interfaces; dissolution; finite-time singularity;
broken symmetry
ID DIFFUSION-LIMITED AGGREGATION; LAPLACIAN GROWTH; SURFACE-TENSION;
PATTERN-FORMATION; POTENTIAL FLOWS; CRYSTAL-GROWTH; FRACTAL GROWTH;
POROUS-MEDIA; DYNAMICS; SOLIDIFICATION
AB An advection-diffusion-limited dissolution model of an object being eroded by a two-dimensional potential flow is presented. By taking advantage of the conformal invariance of the model, a numerical method is introduced that tracks the evolution of the object boundary in terms of a time-dependent Laurent series. Simulations of a variety of dissolving objects are shown, which shrink and collapse to a single point in finite time. The simulations reveal a surprising exact relationship, whereby the collapse point is the root of a non-analytic function given in terms of the flow velocity and the Laurent series coefficients describing the initial shape. This result is subsequently derived using residue calculus. The structure of the non-analytic function is examined for three different test cases, and a practical approach to determine the collapse point using a generalized Newton-Raphson root-finding algorithm is outlined. These examples also illustrate the possibility that the model breaks down in finite time prior to complete collapse, due to a topological singularity, as the dissolving boundary overlaps itself rather than breaking up into multiple domains (analogous to droplet pinchoff in fluid mechanics). The model raises fundamental mathematical questions about broken symmetries in finite-time singularities of both continuous and stochastic dynamical systems.
C1 [Rycroft, Chris H.] Harvard Univ, Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
[Rycroft, Chris H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Math, Berkeley, CA 94720 USA.
[Bazant, Martin Z.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA.
[Bazant, Martin Z.] MIT, Dept Math, Cambridge, MA 02139 USA.
RP Rycroft, CH (reprint author), Harvard Univ, Paulson Sch Engn & Appl Sci, Cambridge, MA 02138 USA.; Rycroft, CH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Math, Berkeley, CA 94720 USA.
EM chr@seas.harvard.edu
OI Rycroft, Chris/0000-0003-4677-6990
FU Office of Science, Computational and Technology Research, US Department
of Energy [DE-AC02-05CH11231]
FX C.H.R. was supported by the Director, Office of Science, Computational
and Technology Research, US Department of Energy under contract no.
DE-AC02-05CH11231.
NR 73
TC 1
Z9 1
U1 3
U2 9
PU ROYAL SOC
PI LONDON
PA 6-9 CARLTON HOUSE TERRACE, LONDON SW1Y 5AG, ENGLAND
SN 1364-5021
EI 1471-2946
J9 P ROY SOC A-MATH PHY
JI Proc. R. Soc. A-Math. Phys. Eng. Sci.
PD JAN 1
PY 2016
VL 472
IS 2185
AR 20150531
DI 10.1098/rspa.2015.0531
PG 28
WC Multidisciplinary Sciences
SC Science & Technology - Other Topics
GA DB4JJ
UT WOS:000368479000009
PM 26997890
ER
PT J
AU Ford, SR
Labak, P
AF Ford, Sean R.
Labak, Peter
TI An Explosion Aftershock Model with Application to On-Site Inspection
SO PURE AND APPLIED GEOPHYSICS
LA English
DT Article
DE OSI; SAMS; Passive method; Signal processing; Seismic
ID BENHAM NUCLEAR EXPLOSION; EARTHQUAKES; HAZARD
AB An estimate of aftershock activity due to a theoretical underground nuclear explosion is produced using an aftershock rate model. The model is developed with data from the Nevada National Security Site, formerly known as the Nevada Test Site, and the Semipalatinsk Test Site, which we take to represent soft-rock and hard-rock testing environments, respectively. Estimates of expected magnitude and number of aftershocks are calculated using the models for different testing and inspection scenarios. These estimates can help inform the Seismic Aftershock Monitoring System (SAMS) deployment in a potential Comprehensive Test Ban Treaty On-Site Inspection (OSI), by giving the OSI team a probabilistic assessment of potential aftershocks in the Inspection Area (IA). The aftershock assessment, combined with an estimate of the background seismicity in the IA and an empirically derived map of threshold magnitude for the SAMS network, could aid the OSI team in reporting. We apply the hard-rock model to a M5 event and combine it with the very sensitive detection threshold for OSI sensors to show that tens of events per day are expected up to a month after an explosion measured several kilometers away.
C1 [Ford, Sean R.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Labak, Peter] Comprehens Test Ban Treaty Org Preparatory Commis, Vienna, Austria.
RP Ford, SR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA.
EM sean@llnl.gov
RI Ford, Sean/F-9191-2011
OI Ford, Sean/0000-0002-0376-5792
FU US Department of Energy by the Lawrence Livermore National Laboratory
[DE-AC52-07NA27344, LLNL-JRNL-652465]
FX The authors are grateful for two anonymous reviews and a review by the
Associate Editor, Anton Dainty. His efforts in producing the highest
quality articles regarding explosion monitoring, and seismic analyses in
general have benefitted the entire community and will be greatly missed.
The authors are grateful for support from the US Department of Energy,
National Nuclear Security Administration, Nonproliferation and
International Security and the Comprehensive Test Ban Treaty
Organization Preparatory Commission, Conference on Science and
Technology. This research was performed in part under the auspices of
the US Department of Energy by the Lawrence Livermore National
Laboratory under contract number DE-AC52-07NA27344; Information
Management release number LLNL-JRNL-652465.
NR 19
TC 0
Z9 0
U1 1
U2 2
PU SPRINGER BASEL AG
PI BASEL
PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND
SN 0033-4553
EI 1420-9136
J9 PURE APPL GEOPHYS
JI Pure Appl. Geophys.
PD JAN
PY 2016
VL 173
IS 1
SI SI
BP 173
EP 181
DI 10.1007/s00024-015-1041-x
PG 9
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DB5JH
UT WOS:000368549900014
ER
PT S
AU Merson, JS
Prime, MB
Lovato, ML
Liu, C
AF Merson, Jacob S.
Prime, Michael B.
Lovato, Manuel L.
Liu, Cheng
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI In-Situ DIC and Strain Gauges to Isolate the Deficiencies in a Model for
Indentation Including Anisotropic Plasticity
SO RESIDUAL STRESS, THERMOMECHANICS & INFRARED IMAGING, HYBRID TECHNIQUES
AND INVERSE PROBLEMS, VOL 9
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Residual stress; Digital image correlation; Plastic anisotropy; Finite
element model; Strain gauges
ID RESIDUAL-STRESS FIELD; PREDICTION
AB A 60-mm diameter disk of 2024 aluminum was indented by opposing steel indenters over a central 10 mm region. Residual stress measurements made using neutron diffraction and the contour method matched each other, but not a finite element (FE) model with a calibrated model for plastic anisotropy of the aluminum. Since residual stresses are only the endpoint of the process, in situ data was needed to determine which portion of the load/unload process was causing model deficiencies. The indentation process was repeated on a new specimen with three-dimensional Digital Image Correlation (3D-DIC) to map full-field strain information and with resistance strain gauges to obtain high fidelity strain information at discrete locations. The DIC data was too noisy to extract strains, so displacements were analyzed after rigid body motion was removed. The deformation field revealed geometric imperfections of the indenters that were within tolerance, but had significant effect on the stress state. An updated FE model including geometric imperfections in the indenters gave better agreement with the DIC data. It did not however allow the material model to become the dominant effect and thus model calibration was unsuccessful.
C1 [Merson, Jacob S.; Prime, Michael B.; Lovato, Manuel L.; Liu, Cheng] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
RP Prime, MB (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA.
EM prime@lanl.gov
RI Merson, Jacob/A-8058-2016;
OI Merson, Jacob/0000-0002-6813-6532; Prime, Michael/0000-0002-4098-5620
NR 29
TC 0
Z9 0
U1 4
U2 9
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 183
EP 197
DI 10.1007/978-3-319-21765-9_24
PG 15
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000024
ER
PT S
AU Jamison, RD
Gorman, PH
Rodelas, J
MacCallum, DO
Neidigk, M
Dempsey, JF
AF Jamison, Ryan D.
Gorman, Pierrette H.
Rodelas, Jeffrey
MacCallum, Danny O.
Neidigk, Matthew
Dempsey, J. Franklin
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI Analysis of Laser Weld Induced Stress in a Hermetic Seal
SO RESIDUAL STRESS, THERMOMECHANICS & INFRARED IMAGING, HYBRID TECHNIQUES
AND INVERSE PROBLEMS, VOL 9
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Laser weld; Residual stress; Hermetic seal; FEA; Thermomechanical
ID FINITE-ELEMENT SIMULATION
AB Laser welding of glass-to-metal electrical connectors is a common manufacturing method for creating a hermetically sealed device. The materials in these connectors, in particular the organic glass, are sensitive to thermal induced residual stress and localized heating. An analytical laser weld model is developed that provides simulation and analysis of both thermal and mechanical effects of the welding process. Experimental studies were conducted to measure the temperature at various locations on the connector. The laser weld is modeled using both surface and volumetric heating directed along the weld path to capture the thermal and mechanical response. The weld region is modeled using an elastic-plastic weld material model, which allows for compliance before welding and stiffening after the weld cools. Results from a finite element model of the glass-to-metal seal are presented and compared with experimental results. The residual compressive stress in the glass is reduced due to the welding process but hermeticity is maintained.
C1 [Jamison, Ryan D.; Gorman, Pierrette H.; Rodelas, Jeffrey; MacCallum, Danny O.; Neidigk, Matthew; Dempsey, J. Franklin] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
RP Jamison, RD (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA.
EM rdjamis@sandia.gov
NR 12
TC 0
Z9 0
U1 3
U2 8
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 199
EP 207
DI 10.1007/978-3-319-21765-9_25
PG 9
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000025
ER
PT S
AU Fairfax, EJ
Steinzig, M
AF Fairfax, E. J.
Steinzig, M.
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI A Summary of Failures Caused by Residual Stresses
SO RESIDUAL STRESS, THERMOMECHANICS & INFRARED IMAGING, HYBRID TECHNIQUES
AND INVERSE PROBLEMS, VOL 9
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of the
Society-for-Experimental-Mechanics on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Expt Mech
DE Residual stress; Failure; Statistics; Database; Industry
AB Residual stress (RS) is often implicated in the failure of parts or assemblies, but there has not been any quantification or statistics collected on RS induced failures. Using the ASM Failure Analysis Database (TM), 147 individual case histories of failure analysis involving residual stress were identified and categorized based on various criteria. Information about the type of failure, material, processing, severity, date and other pertinent facts were extracted from the failure write-ups and the statistics on date of publication, material type, and failure type are compiled here. This information is used in conjunction with other compiled information on residual stress induced failures to estimate the impact of various residual stress induced problems in manufacturing and industry.
C1 [Fairfax, E. J.; Steinzig, M.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
RP Fairfax, EJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA.
EM fairfaxe@lanl.gov
NR 16
TC 1
Z9 1
U1 0
U2 5
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 209
EP 214
DI 10.1007/978-3-319-21765-9_26
PG 6
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000026
ER
PT S
AU Olson, MD
DeWald, AT
Prime, MB
Hill, MR
AF Olson, Mitchell D.
DeWald, Adrian T.
Prime, Michael B.
Hill, Michael R.
BE Bossuyt, S
Schajer, G
Carpinteri, A
TI Contour Method Residual Stress Measurement Uncertainty in a Quenched
Aluminum Bar and a Stainless Steel Welded Plate
SO RESIDUAL STRESS, THERMOMECHANICS & INFRARED IMAGING, HYBRID TECHNIQUES
AND INVERSE PROBLEMS, VOL 9
SE Conference Proceedings of the Society for Experimental Mechanics Series
LA English
DT Proceedings Paper
CT Annual Conference and Exposition of Society-for-Experimental-Mechanics
on Experimental and Applied Mechanics
CY JUN 08-11, 2015
CL Costa Mesa, CA
SP Soc Experimental Mech
DE Residual stress measurement; Contour method; Uncertainty quantification;
Repeatability; Aluminum alloy 7050-T74; Quenching
AB This paper describes a newly developed uncertainty estimate for contour method residual stress measurements and presents results from two experiments where the uncertainty estimate was applied. The uncertainty estimate includes contributions from random error sources including the error arising from noise in displacement measurements and the smoothing of the displacement surfaces. The output is a two-dimensional, spatially varying uncertainty estimate such that every point on the cross-section where residual stress is determined has a corresponding uncertainty value. The current paper describes the use of the newly developed uncertainty estimate in a quenched aluminum bar with a cross section of 51 x 76 mm and a stainless steel weld plate with a cross-section of 25.4 x 152.4 mm, with a 6.35 mm deep groove, filled with a multi-pass weld. The estimated uncertainty in the quenched aluminum bar is approximately 5 MPa over the majority of the cross-section, with localized areas of higher uncertainty, up to 10 MPa. The estimated uncertainty in the welded stainless steel plate is approximately 22 MPa over the majority of the cross-section, with localized areas of higher uncertainty, over 50 MPa.
C1 [Olson, Mitchell D.; DeWald, Adrian T.] Hill Engn LLC, 3035 Prospect Pk Dr Suite 180, Rancho Cordova, CA 95670 USA.
[Olson, Mitchell D.; Hill, Michael R.] Univ Calif Davis, Dept Mech & Aerosp Engn, One Shields Ave, Davis, CA 95616 USA.
[Prime, Michael B.] Los Alamos Natl Lab, W-13,POB 1663, Los Alamos, NM 87545 USA.
RP Olson, MD (reprint author), Hill Engn LLC, 3035 Prospect Pk Dr Suite 180, Rancho Cordova, CA 95670 USA.; Olson, MD (reprint author), Univ Calif Davis, Dept Mech & Aerosp Engn, One Shields Ave, Davis, CA 95616 USA.
EM molson@ucdavis.edu
RI Hill, Michael/A-2525-2016;
OI Hill, Michael/0000-0002-9168-211X; Prime, Michael/0000-0002-4098-5620
NR 21
TC 0
Z9 0
U1 1
U2 2
PU SPRINGER
PI NEW YORK
PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES
SN 2191-5644
BN 978-3-319-21765-9; 978-3-319-21764-2
J9 C PROC SOC EXP MECH
PY 2016
BP 303
EP 312
DI 10.1007/978-3-319-21765-9_37
PG 10
WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics
SC Engineering; Materials Science; Mechanics
GA BE1SX
UT WOS:000368490000037
ER
PT J
AU Tan, L
Chen, ZZ
Song, SL
AF Tan, Li
Chen, Zizhong
Song, Shuaiwen Leon
TI Scalable Energy Efficiency with Resilience for High Performance
Computing Systems: A Quantitative Methodology
SO ACM TRANSACTIONS ON ARCHITECTURE AND CODE OPTIMIZATION
LA English
DT Article
DE Energy; power; DVFS; undervolting; performance; resilience; failures;
checkpoint and restart; scalability; HPC
ID AMDAHLS LAW; PROCESSOR
AB Ever-growing performance of supercomputers nowadays brings demanding requirements of energy efficiency and resilience, due to rapidly expanding size and duration in use of the large-scale computing systems. Many application/architecture-dependent parameters that determine energy efficiency and resilience individually have causal effects with each other, which directly affect the trade-offs among performance, energy efficiency and resilience at scale. To enable high-efficiency management for large-scale High-Performance Computing (HPC) systems nowadays, quantitatively understanding the entangled effects among performance, energy efficiency, and resilience is thus required. While previous work focuses on exploring energysaving and resilience-enhancing opportunities separately, little has been done to theoretically and empirically investigate the interplay between energy efficiency and resilience at scale. In this article, by extending the Amdahl's Law and the Karp-Flatt Metric, taking resilience into consideration, we quantitatively model the integrated energy efficiency in terms of performance perWatt and showcase the trade-offs among typical HPC parameters, such as number of cores, frequency/voltage, and failure rates. Experimental results for a wide spectrum of HPC benchmarks on two HPC systems show that the proposed models are accurate in extrapolating resilience-aware performance and energy efficiency, and capable of capturing the interplay among various energy-saving and resilience factors. Moreover, the models can help find the optimal HPC configuration for the highest integrated energy efficiency, in the presence of failures and applied resilience techniques.
C1 [Tan, Li; Chen, Zizhong] Univ Calif Riverside, Dept Comp Sci & Engn, Riverside, CA 92521 USA.
[Song, Shuaiwen Leon] Pacific NW Natl Lab, High Performance Comp Grp, Richland, WA 99354 USA.
RP Tan, L (reprint author), Univ Calif Riverside, Dept Comp Sci & Engn, 900 Univ Ave, Riverside, CA 92521 USA.
FU NSF [CCF-1305622, ACI-1305624, CCF-1513201]; Pacific Northwest National
Laboratory [62855]; SZSTI basic research program [JCYJ20150630114942313]
FX This work is partially supported by the NSF grants CCF-1305622,
ACI-1305624, and CCF-1513201, by the DOE/ASCR Beyond Standard Model
Project 62855 from Pacific Northwest National Laboratory, and also by
the SZSTI basic research program JCYJ20150630114942313.
NR 52
TC 0
Z9 0
U1 0
U2 4
PU ASSOC COMPUTING MACHINERY
PI NEW YORK
PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA
SN 1544-3566
EI 1544-3973
J9 ACM T ARCHIT CODE OP
JI ACM Trans. Archit. Code Optim.
PD JAN
PY 2016
VL 12
IS 4
AR 35
DI 10.1145/2822893
PG 27
WC Computer Science, Hardware & Architecture; Computer Science, Theory &
Methods
SC Computer Science
GA DA6YA
UT WOS:000367950500003
ER
PT J
AU Yoo, SY
Jin, HE
Choi, DS
Kobayashi, M
Farouz, Y
Wang, S
Lee, SW
AF Yoo, So Young
Jin, Hyo-Eon
Choi, Dong Shin
Kobayashi, Masae
Farouz, Yohan
Wang, Sky
Lee, Seung-Wuk
TI M13 Bacteriophage and Adeno-Associated Virus Hybrid for Novel Tissue
Engineering Material with Gene Delivery Functions
SO ADVANCED HEALTHCARE MATERIALS
LA English
DT Article
ID PHAGE DISPLAY; THERAPY; VECTORS; PEPTIDE; TRAIL; DNA; EXPRESSION;
CANCER; CELLS; INFECTION
AB A novel hybrid phage carrying genes from prokaryotic M13 phage and eukaryotic adeno-associated viruses can be used as a tissue engineering material with gene delivery functions. The filamentous shape of the resulting hybrid phage easily forms nanofibrous matrices, which can support cellular growth in tissue culture conditions and deliver the target programmed gene information into the target cells.
C1 [Yoo, So Young; Jin, Hyo-Eon; Choi, Dong Shin; Kobayashi, Masae; Farouz, Yohan; Wang, Sky; Lee, Seung-Wuk] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Nanosci & Nanoengn Inst, Dept Bioengn,Berkeley Phys Biosci Div, Berkeley, CA 94720 USA.
[Yoo, So Young] Pusan Natl Univ, BIOIT Foundry Technol Inst, Pusan 609735, South Korea.
[Yoo, So Young] Res Inst Convergence Biomed Sci & Technol, Yangsan 626770, South Korea.
[Farouz, Yohan] Ecole Polytech, Dept Biol, F-91128 Palaiseau, France.
RP Yoo, SY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley Nanosci & Nanoengn Inst, Dept Bioengn,Berkeley Phys Biosci Div, Berkeley, CA 94720 USA.
EM yoosy@pusan.ac.kr; leesw@berkeley.edu
OI Farouz, Yohan/0000-0002-7616-7793
FU Hellman Family Faculty Fund; Berkeley Nanoscience and Nanoengineering
Institute at the University of California, Berkeley; Laboratory Directed
Research and Development fund from the Lawrence Berkeley National
Laboratory; Basic Science Research Program through the National Research
Foundation of Korea (NRF) - Ministry of Science, ICT and Future Planning
[2013R1A1A3008484]; Korean Government [NRF-2014S1A2A2027641]
FX S.Y.Y. and H.-E.J. contributed equally to this work. The authors would
like to thank Professor David Schaffer for generously gifting eGFP cDNA
for cloning. This work was supported by the Hellman Family Faculty Fund
(SWL); start-up funds from the Berkeley Nanoscience and Nanoengineering
Institute at the University of California, Berkeley (SWL); the
Laboratory Directed Research and Development fund from the Lawrence
Berkeley National Laboratory; and Basic Science Research Program through
the National Research Foundation of Korea (NRF) funded by the Ministry
of Science, ICT and Future Planning (Grant No. 2013R1A1A3008484) and the
Korean Government (Grant No. NRF-2014S1A2A2027641).
NR 51
TC 5
Z9 5
U1 6
U2 21
PU WILEY
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 2192-2640
EI 2192-2659
J9 ADV HEALTHC MATER
JI Adv. Healthc. Mater.
PD JAN
PY 2016
VL 5
IS 1
SI SI
BP 88
EP +
DI 10.1002/adhm.201500179
PG 7
WC Engineering, Biomedical; Nanoscience & Nanotechnology; Materials
Science, Biomaterials
SC Engineering; Science & Technology - Other Topics; Materials Science
GA DA9QI
UT WOS:000368144200006
PM 26010471
ER
PT J
AU Miller, DC
Litynski, JT
Brickett, LA
Morreale, BD
AF Miller, David C.
Litynski, John T.
Brickett, Lynn A.
Morreale, Bryan D.
TI Toward Transformational Carbon Capture Systems
SO AICHE JOURNAL
LA English
DT Editorial Material
DE Carbon Capture; Scale-up; Multi-scale model; Simulation
ID SEQUESTRATION-PARTNERSHIPS PROGRAM; UNCERTAINTIES; COST
C1 [Miller, David C.; Brickett, Lynn A.; Morreale, Bryan D.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
[Litynski, John T.] US DOE, Off Fossil Energy, Washington, DC 20585 USA.
RP Miller, DC (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
EM david.miller@netl.doe.gov
NR 32
TC 6
Z9 6
U1 2
U2 10
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0001-1541
EI 1547-5905
J9 AICHE J
JI AICHE J.
PD JAN
PY 2016
VL 62
IS 1
BP 2
EP 10
DI 10.1002/aic.15066
PG 9
WC Engineering, Chemical
SC Engineering
GA DA6OM
UT WOS:000367924600001
ER
PT J
AU Brown, KE
Greenfield, MT
McGrane, SD
Moore, DS
AF Brown, Kathryn E.
Greenfield, Margo T.
McGrane, Shawn D.
Moore, David S.
TI Advances in explosives analysis-part I: animal, chemical, ion, and
mechanical methods
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Review
DE Explosives detection; Trace analysis; Explosives; Improvised explosives;
Instrumentation; Reviews
ID SURFACE-PLASMON RESONANCE; HIGHLY SENSITIVE DETECTION; MOLECULARLY
IMPRINTED POLYMERS; IONIZATION MASS-SPECTROMETRY; TRIACETONE TRIPEROXIDE
TATP; PRESSURE LASER-DESORPTION; ETHYLENE-GLYCOL DINITRATE; COLORIMETRIC
SENSOR ARRAY; FLOW FOCUSING IONIZATION; METAL-ORGANIC FRAMEWORK
AB The number and capability of explosives detection and analysis methods have increased substantially since the publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis (Moore and Goodpaster, Anal Bioanal Chem 395(2):245-246, 2009). Here we review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. The review consists of two parts. This part, Part I, reviews methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers, electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. Part II will review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons.
C1 [Brown, Kathryn E.; Greenfield, Margo T.; McGrane, Shawn D.; Moore, David S.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
RP Moore, DS (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA.
EM moored@lanl.gov
OI Mcgrane, Shawn/0000-0002-2978-3980
FU National Nuclear Security Administration of the U.S. Department of
Energy [DE-AC52-06NA25396]
FX Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the National Nuclear Security Administration of the
U.S. Department of Energy under Contract No. DE-AC52-06NA25396. The
authors gratefully acknowledge the support of this study by Eric
Sanders.
NR 137
TC 8
Z9 8
U1 21
U2 85
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1618-2642
EI 1618-2650
J9 ANAL BIOANAL CHEM
JI Anal. Bioanal. Chem.
PD JAN
PY 2016
VL 408
IS 1
BP 35
EP 47
DI 10.1007/s00216-015-9040-4
PG 13
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA DA7WT
UT WOS:000368016700007
PM 26462922
ER
PT J
AU Brown, KE
Greenfield, MT
McGrane, SD
Moore, DS
AF Brown, Kathryn E.
Greenfield, Margo T.
McGrane, Shawn D.
Moore, David S.
TI Advances in explosives analysis-part II: photon and neutron methods
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Review
DE Explosives detection; Trace analysis; Explosives; Improvised explosives;
Instrumentation; Reviews
ID INDUCED BREAKDOWN SPECTROSCOPY; X-RAY-DIFFRACTION; ENHANCED
RAMAN-SPECTROSCOPY; QUANTUM CASCADE LASER; UP-CONVERSION LUMINESCENCE;
TERAHERTZ SPECTROSCOPY; STANDOFF DETECTION; ELECTROGENERATED
CHEMILUMINESCENCE; NITROAROMATIC EXPLOSIVES; ELECTROCHEMILUMINESCENCE
DETECTION
AB The number and capability of explosives detection and analysis methods have increased dramatically since publication of the Analytical and Bioanalytical Chemistry special issue devoted to Explosives Analysis [Moore DS, Goodpaster JV, Anal Bioanal Chem 395:245-246, 2009]. Here we review and critically evaluate the latest (the past five years) important advances in explosives detection, with details of the improvements over previous methods, and suggest possible avenues towards further advances in, e.g., stand-off distance, detection limit, selectivity, and penetration through camouflage or packaging. The review consists of two parts. Part I discussed methods based on animals, chemicals (including colorimetry, molecularly imprinted polymers, electrochemistry, and immunochemistry), ions (both ion-mobility spectrometry and mass spectrometry), and mechanical devices. This part, Part II, will review methods based on photons, from very energetic photons including X-rays and gamma rays down to the terahertz range, and neutrons.
C1 [Brown, Kathryn E.; Greenfield, Margo T.; McGrane, Shawn D.; Moore, David S.] Los Alamos Natl Lab, Shock & Detonat Phys Grp, Los Alamos, NM 87545 USA.
RP Moore, DS (reprint author), Los Alamos Natl Lab, Shock & Detonat Phys Grp, POB 1663, Los Alamos, NM 87545 USA.
EM moored@lanl.gov
OI Mcgrane, Shawn/0000-0002-2978-3980
FU National Nuclear Security Administration of the U.S. Department of
Energy [DE-AC52-06NA25396]
FX Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the National Nuclear Security Administration of the
U.S. Department of Energy under Contract No. DE-AC52-06NA25396. The
authors gratefully acknowledge the support of this study by Eric
Sanders.
NR 211
TC 9
Z9 9
U1 20
U2 64
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1618-2642
EI 1618-2650
J9 ANAL BIOANAL CHEM
JI Anal. Bioanal. Chem.
PD JAN
PY 2016
VL 408
IS 1
BP 49
EP 65
DI 10.1007/s00216-015-9043-1
PG 17
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA DA7WT
UT WOS:000368016700008
PM 26446898
ER
PT J
AU Larimer, C
Winder, E
Jeters, R
Prowant, M
Nettleship, I
Addleman, RS
Bonheyo, GT
AF Larimer, Curtis
Winder, Eric
Jeters, Robert
Prowant, Matthew
Nettleship, Ian
Addleman, Raymond Shane
Bonheyo, George T.
TI A method for rapid quantitative assessment of biofilms with biomolecular
staining and image analysis
SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY
LA English
DT Article
DE Biofilm; Biofouling; Image analysis; Biomolecular stain; Biofilmgrowth
intensity
ID THRESHOLDING METHODS; QUANTIFICATION; MICROSCOPY; ALGORITHM; BACTERIA;
CELLS
AB The accumulation of bacteria in surface-attached biofilms can be detrimental to human health, dental hygiene, and many industrial processes. Natural biofilms are soft and often transparent, and they have heterogeneous biological composition and structure over micro- and macroscales. As a result, it is challenging to quantify the spatial distribution and overall intensity of biofilms. In this work, a new method was developed to enhance the visibility and quantification of bacterial biofilms. First, broad-spectrum biomolecular staining was used to enhance the visibility of the cells, nucleic acids, and proteins that make up biofilms. Then, an image analysis algorithm was developed to objectively and quantitatively measure biofilm accumulation from digital photographs and results were compared to independent measurements of cell density. This new method was used to quantify the growth intensity of Pseudomonas putida biofilms as they grew over time. This method is simple and fast, and can quantify biofilm growth over a large area with approximately the same precision as the more laborious cell counting method. Stained and processed images facilitate assessment of spatial heterogeneity of a biofilm across a surface. This new approach to biofilm analysis could be applied in studies of natural, industrial, and environmental biofilms.
C1 [Larimer, Curtis; Prowant, Matthew; Addleman, Raymond Shane] Pacific NW Natl Lab, Battelle USDOE, Richland, WA 99352 USA.
[Winder, Eric; Jeters, Robert; Bonheyo, George T.] Pacific NW Natl Lab, Marine Sci Lab, Sequim, WA 98382 USA.
[Nettleship, Ian] Univ Pittsburgh, Swanson Sch Engn, Pittsburgh, PA 15261 USA.
RP Addleman, RS (reprint author), Pacific NW Natl Lab, Battelle USDOE, POB 999,MSIN P7-50, Richland, WA 99352 USA.
EM Raymond.Addleman@pnnl.gov; George.Bonheyo@pnnl.gov
OI Bonheyo, George/0000-0001-8853-5744; Winder, Eric/0000-0003-3707-7549;
Larimer, Curtis/0000-0001-6634-5384
FU US Department of Energy [DE AC06-76RLO 1830]; Chemical Imaging
Initiative-Laboratory Directed Research and Development (CII-LDRD)
program; Wind and Water Power Program under the Office of Energy
Efficiency and Renewable Energy, US Department of Energy; Intelligence
Community Postdoctoral Research Fellowship Program
FX This research was performed at Pacific Northwest National Laboratories
(PNNL), which is operated for the US Department of Energy by Battelle
Memorial Institute under contract DE AC06-76RLO 1830. The work was
supported by the Chemical Imaging Initiative-Laboratory Directed
Research and Development (CII-LDRD) program. A portion of the work
presented here was also supported by the Wind and Water Power Program
under the Office of Energy Efficiency and Renewable Energy, US
Department of Energy. The work was also supported by a grant from the
Intelligence Community Postdoctoral Research Fellowship Program. All
statements of fact, opinion, or analysis expressed are those of the
author and do not reflect the official positions or views of the
Intelligence Community or any other US Government agency. Nothing in the
contents should be construed as asserting or implying US Government
authentication of information or Intelligence Community endorsement of
the authors' views. The authors wish to thank Jiyeon Park and Anthony
Cinson for their contributions.
NR 48
TC 0
Z9 0
U1 3
U2 11
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1618-2642
EI 1618-2650
J9 ANAL BIOANAL CHEM
JI Anal. Bioanal. Chem.
PD JAN
PY 2016
VL 408
IS 3
BP 999
EP 1008
DI 10.1007/s00216-015-9195-z
PG 10
WC Biochemical Research Methods; Chemistry, Analytical
SC Biochemistry & Molecular Biology; Chemistry
GA DA7XB
UT WOS:000368017600032
PM 26643074
ER
PT J
AU Hurst, KE
Parilla, PA
O'Neill, KJ
Gennett, T
AF Hurst, Katherine E.
Parilla, Philip A.
O'Neill, Kevin J.
Gennett, Thomas
TI An international multi-laboratory investigation of carbon-based hydrogen
sorbent materials
SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING
LA English
DT Article
ID ZEOLITE-TEMPLATED CARBON; HIGH-PRESSURE; SORPTION MEASUREMENTS; SIEVERTS
METHOD; ADSORPTION; STORAGE
AB New materials are needed to achieve the hydrogen storage targets set out by the US Department of Energy for fuel cell vehicular applications. In order to enable the pathway toward this discovery, precise and accurate characterization of the hydrogen storage performance of these materials is needed. Determining the precise and accurate hydrogen storage capacity of materials requires rigorous attention to detailed experimental parameters and methodology. Slight errors in even small experimental details can result in a large deviation in the determination of the material's true characteristics. Here, we compare measurements of the gravimetric excess hydrogen uptake capacities for two different carbon sorbent materials measured by different laboratories at ambient and liquid N-2 temperatures. The participants for this study consist of research laboratories led by experienced scientists in the hydrogen storage field. This collaborative evaluation of standard sorbents illustrated considerable reproducibility over a broad range of materials' hydrogen sorption gravimetric capacities.
C1 [Hurst, Katherine E.; Parilla, Philip A.; O'Neill, Kevin J.; Gennett, Thomas] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Hurst, KE (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM katherine.hurst@nrel.gov
FU U.S. Department of Energy, Office of Energy Efficiency and Renewable
Energy, Fuel Cell Technologies Office [DE-AC36-08-GO28308]
FX The authors would like to thank the participating laboratories for their
efforts and cooperation in this study. The authors gratefully
acknowledge research support from the U.S. Department of Energy, Office
of Energy Efficiency and Renewable Energy, Fuel Cell Technologies
Office, under Contract No. DE-AC36-08-GO28308.
NR 16
TC 5
Z9 5
U1 0
U2 3
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0947-8396
EI 1432-0630
J9 APPL PHYS A-MATER
JI Appl. Phys. A-Mater. Sci. Process.
PD JAN
PY 2016
VL 122
IS 1
DI 10.1007/s00339-015-9537-x
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA9BG
UT WOS:000368100800021
ER
PT J
AU Fischer, CR
Ruebel, O
Bowen, BP
AF Fischer, Curt R.
Ruebel, Oliver
Bowen, Benjamin P.
TI An accessible, scalable ecosystem for enabling and sharing diverse mass
spectrometry imaging analyses
SO ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
LA English
DT Review
DE Mass spectrometry imaging; Maldi; Ipython; Jupyter; Openmsi;
Metabolomics
ID DESORPTION ELECTROSPRAY-IONIZATION; MALDI-TOF MS; SPATIAL-RESOLUTION;
TISSUE-SECTIONS; DESI; METABOLITES; STRATEGY; PYTHON; SIZE
AB Mass spectrometry imaging (MSI) is used in an increasing number of biological applications. Typical MSI datasets contain unique, high-resolution mass spectra from tens of thousands of spatial locations, resulting in raw data sizes of tens of gigabytes per sample. In this paper, we review technical progress that is enabling new biological applications and that is driving an increase in the complexity and size of MSI data. Handling such data often requires specialized computational infrastructure, software, and expertise. OpenMSI, our recently described platform, makes it easy to explore and share MSI datasets via the web - even when larger than 50 GB. Here we describe the integration of OpenMSI with IPython notebooks for transparent, sharable, and replicable MSI research. An advantage of this approach is that users do not have to share raw data along with analyses; instead, data is retrieved via OpenMSI's web API. The IPython notebook interface provides a low-barrier entry point for data manipulation that is accessible for scientists without extensive computational training. Via these notebooks, analyses can be easily shared without requiring any data movement. We provide example notebooks for several common MSI analysis types including data normalization, plotting, clustering, and classification, and image registration. Published by Elsevier Inc.
C1 [Ruebel, Oliver] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Fischer, Curt R.; Bowen, Benjamin P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
RP Bowen, BP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA.
EM BPBOWEN@LBL.GOV
FU Office of Science of the U.S. Department of Energy; Low-Dose Radiation
Research of the Office of Science, Office of Biological and
Environmental Research, of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This work was supported by and uses resources of Lawrence Berkeley
National Lab's Laboratory Directed Research and Development (LDRD)
support; the National Energy Research Scientific Computing Center
(NERSC) supported by the Office of Science of the U.S. Department of
Energy; and the Low-Dose Radiation Research of the Office of Science,
Office of Biological and Environmental Research, of the U.S. Department
of Energy under Contract No. DE-AC02-05CH11231. We thank S. Cholia and
the Outreach, Software and Programming Group at NERSC for their ongoing
efforts and support to help deliver scientific data and high-performance
computing to science communities. We are thankful to Dr. Thomas Fehniger
for his contribution of the histological image, and would like to
dedicate this manuscript to his memory in recognition of his
longstanding interest, collegiality, and support to the mass
spectrometry imaging community.
NR 44
TC 2
Z9 2
U1 6
U2 16
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0003-9861
EI 1096-0384
J9 ARCH BIOCHEM BIOPHYS
JI Arch. Biochem. Biophys.
PD JAN 1
PY 2016
VL 589
SI SI
BP 18
EP 26
DI 10.1016/j.abb.2015.08.021
PG 9
WC Biochemistry & Molecular Biology; Biophysics
SC Biochemistry & Molecular Biology; Biophysics
GA DB2ER
UT WOS:000368321600004
PM 26365033
ER
PT J
AU Masica, K
AF Masica, Ken
TI Campus Challenge, Part 2
SO ASHRAE JOURNAL
LA English
DT Article
AB The first part of this two-part article described the benefits and the challenges of implementing BACnet in large campus environments. Adopting native BACnet as a primary design requirement can be a key strategy in achieving an interoperable and flexible multivendor building automation system (BAS) that can scale to large campus installations, integrate with modern campus networking infrastructures, and address legacy equipment issues that can occur when DDC upgrades are performed by different contractors using various equipment vendors over different time frames.
C1 [Masica, Ken] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Masica, K (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
NR 0
TC 0
Z9 0
U1 1
U2 1
PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC,
PI ATLANTA
PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA
SN 0001-2491
EI 1943-6637
J9 ASHRAE J
JI ASHRAE J.
PD JAN
PY 2016
VL 58
IS 1
BP 60
EP 70
PG 11
WC Thermodynamics; Construction & Building Technology; Engineering,
Mechanical
SC Thermodynamics; Construction & Building Technology; Engineering
GA DA4IS
UT WOS:000367764200017
ER
PT J
AU Morrison, HL
Ma, ZB
Clem, JL
An, D
Connor, T
Schechtman-Rook, A
Casagrande, L
Rockosi, C
Yanny, B
Harding, P
Beers, TC
Johnson, JA
Schneider, DP
AF Morrison, Heather L.
Ma, Zhibo
Clem, James L.
An, Deokkeun
Connor, Thomas
Schechtman-Rook, Andrew
Casagrande, Luca
Rockosi, Constance
Yanny, Brian
Harding, Paul
Beers, Timothy C.
Johnson, Jennifer A.
Schneider, Donald P.
TI GLOBULAR AND OPEN CLUSTERS OBSERVED BY SDSS/SEGUE: THE GIANT STARS
SO ASTRONOMICAL JOURNAL
LA English
DT Article
DE globular clusters: general; open clusters and associations: general
ID DIGITAL SKY SURVEY; OLD OPEN CLUSTER; PROPER MOTIONS; GALACTIC HALO;
SDSS-III; CHEMICAL EVOLUTION; ELEMENT ABUNDANCES; DATA RELEASE; FIELD
STARS; MILKY-WAY
AB We present griz observations for the clusters M92, M13 and NGC 6791 and gr photometry for M71, Be 29 and NGC 7789. In addition we present new membership identifications for all these clusters, which have been observed spectroscopically as calibrators for the Sloan Digital Sky Survey (SDSS)/SEGUE survey; this paper focuses in particular on the red giant branch stars in the clusters. In a number of cases, these giants were too bright to be observed in the normal SDSS survey operations, and we describe the procedure used to obtain spectra for these stars. For M71, we also present a new variable reddening map and a new fiducial for the gr giant branch. For NGC 7789, we derived a transformation from T-eff to g-r for giants of near solar abundance, using IRFM T-eff measures of stars with good ugriz. and 2MASS photometry and SEGUE spectra. The result of our analysis is a robust list of known cluster members with correctly dereddened and (if needed) transformed gr photometry for crucial calibration efforts for SDSS and SEGUE.
C1 [Morrison, Heather L.; Ma, Zhibo; Connor, Thomas; Schechtman-Rook, Andrew; Harding, Paul] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA.
[Clem, James L.] Grove City Coll, Dept Phys, Grove City, PA 16127 USA.
[An, Deokkeun] Ewha Womans Univ, Dept Sci Educ, Seoul 120750, South Korea.
[Casagrande, Luca] Australian Natl Univ, Mt Stromlo Observ, Res Sch Astron & Astrophys, Weston, ACT 2611, Australia.
[Rockosi, Constance] Univ Calif Santa Cruz, UCO Lick Observ, Santa Cruz, CA 95064 USA.
[Yanny, Brian] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Beers, Timothy C.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46656 USA.
[Johnson, Jennifer A.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA.
[Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA.
RP Morrison, HL (reprint author), Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA.
EM hlm5@case.edu
FU National Science Foundation [PHYS-1066293]; Physics Frontiers
Center/Joint Institute for Nuclear Astrophysics (JINA) - U.S. National
Science Foundation [PHY 08-22648]; Alfred P. Sloan Foundation; U.S.
Department of Energy Office of Science; [AST-1009886]; [AST-121989]
FX We thank Tad Pryor for kindly sharing his unpublished velocity data for
M71 with us, and Bruce Twarog for suggesting that we use NGC 6819 to
help transform the NGC 7789 data to gr. We also thank the anonymous
referee for a very helpful report. This research used the facilities of
the Canadian Astronomy Data Centre operated by the National Research
Council of Canada with the support of the Canadian Space Agency. This
publication also makes use of data products from the Two Micron All Sky
Survey, which is a joint project of the University of Massachusetts and
the Infrared Processing and Analysis Center/California Institute of
Technology, funded by the National Aeronautics and Space Administration
and the National Science Foundation. This work was supported in part by
the National Science Foundation under Grant No. PHYS-1066293 and the
hospitality of the Aspen Center for Physics, and by grants AST-1009886
to H. L. M. and AST-121989 to H. L. M., P. H. and C.R. T. C. B.
acknowledges partial support for this work by grant PHY 08-22648:
Physics Frontiers Center/Joint Institute for Nuclear Astrophysics
(JINA), awarded by the U.S. National Science Foundation.; Funding for
SDSS-III has been provided by the Alfred P. Sloan Foundation, the
Participating Institutions, the National Science Foundation, and the
U.S. Department of Energy Office of Science. The SDSS-III web site is.
http://www.sdss3.org/. SDSS-III is managed by the Astrophysical Research
Consortium for the Participating Institutions of the SDSS-III
Collaboration including the University of Arizona, the Brazilian
Participation Group, Brookhaven National Laboratory, Carnegie Mellon
University, University of Florida, the French Participation Group, the
German Participation Group, Harvard University, the Instituto de
Astrofisica de Canarias, the Michigan State/Notre Dame/JINA
Participation Group, Johns Hopkins University, Lawrence Berkeley
National Laboratory, Max Planck Institute for Astrophysics, Max Planck
Institute for Extraterrestrial Physics, New Mexico State University, New
York University, Ohio State University, Pennsylvania State University,
University of Portsmouth, Princeton University, the Spanish
Participation Group, University of Tokyo, University of Utah, Vanderbilt
University, University of Virginia, University of Washington, and Yale
University.
NR 62
TC 1
Z9 1
U1 2
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-6256
EI 1538-3881
J9 ASTRON J
JI Astron. J.
PD JAN
PY 2016
VL 151
IS 1
AR 7
DI 10.3847/0004-6256/151/1/7
PG 16
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DB1EN
UT WOS:000368250900007
ER
PT J
AU Yan, RB
Tremonti, C
Bershady, MA
Law, DR
Schlegel, DJ
Bundy, K
Drory, N
MacDonald, N
Bizyaev, D
Blanc, GA
Blanton, MR
Cherinka, B
Eigenbrot, A
Gunn, JE
Harding, P
Hogg, DW
Sanchez-Gallego, JR
Sanchez, SF
Wake, DA
Weijmans, AM
Xiao, T
Zhang, K
AF Yan, Renbin
Tremonti, Christy
Bershady, Matthew A.
Law, David R.
Schlegel, David J.
Bundy, Kevin
Drory, Niv
MacDonald, Nicholas
Bizyaev, Dmitry
Blanc, Guillermo A.
Blanton, Michael R.
Cherinka, Brian
Eigenbrot, Arthur
Gunn, James E.
Harding, Paul
Hogg, David W.
Sanchez-Gallego, Jose R.
Sanchez, Sebastian F.
Wake, David A.
Weijmans, Anne-Marie
Xiao, Ting
Zhang, Kai
TI SDSS-IV/MaNGA: SPECTROPHOTOMETRIC CALIBRATION TECHNIQUE
SO ASTRONOMICAL JOURNAL
LA English
DT Article
DE atmospheric effects; methods: observational; surveys; techniques:
imaging spectroscopy
ID DIGITAL SKY SURVEY; 2.5 M TELESCOPE; GALAXY SURVEY; DATA RELEASE;
ULTRAVIOLET; ABUNDANCES; STANDARDS; CALIFA; STAR
AB Mapping Nearby Galaxies at Apache Point Observatory (MaNGA), one of three core programs in the Sloan Digital Sky Survey-IV, is an integral-field spectroscopic survey of roughly 10,000 nearby galaxies. It employs dithered observations using 17 hexagonal bundles of 2'' fibers to obtain resolved spectroscopy over a wide wavelength range of 3600-10300 angstrom. To map the internal variations within each galaxy, we need to perform accurate spectral surface photometry, which is to calibrate the specific intensity at every spatial location sampled by each individual aperture element of the integral field unit. The calibration must correct only for the flux loss due to atmospheric throughput and the instrument response, but not for losses due to the finite geometry of the fiber aperture. This requires the use of standard star measurements to strictly separate these two flux loss factors (throughput versus geometry), a difficult challenge with standard single-fiber spectroscopy techniques due to various practical limitations. Therefore, we developed a technique for spectral surface photometry using multiple small fiber-bundles targeting standard stars simultaneously with galaxy observations. We discuss the principles of our approach and how they compare to previous efforts, and we demonstrate the precision and accuracy achieved. MaNGA's relative calibration between the wavelengths of H alpha and H beta has an rms of 1.7%, while that between [N II] lambda 6583 and [O II] lambda 3727 has an rms of 4.7%. Using extinction-corrected star formation rates and gas-phase metallicities as an illustration, this level of precision guarantees that flux calibration errors will be sub-dominant when estimating these quantities. The absolute calibration is better than 5% for more than 89% of MaNGA's wavelength range.
C1 [Yan, Renbin; Sanchez-Gallego, Jose R.; Zhang, Kai] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA.
[Tremonti, Christy; Bershady, Matthew A.; Eigenbrot, Arthur; Wake, David A.] Univ Wisconsin, Dept Astron, Madison, WI 53706 USA.
[Law, David R.] Space Telescope Sci Inst, Baltimore, MD 21218 USA.
[Schlegel, David J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA.
[Bundy, Kevin] Univ Tokyo, UTIAS, Kavli IPMU WPI, Kashiwa, Chiba 2778583, Japan.
[Drory, Niv] Univ Texas Austin, Dept Astron, McDonald Observ, Austin, TX 78712 USA.
[MacDonald, Nicholas] Univ Washington, Dept Astron, Seattle, WA 98195 USA.
[Bizyaev, Dmitry] Apache Point Observ, Sunspot, NM 88349 USA.
[Bizyaev, Dmitry] Moscow MV Lomonosov State Univ, Sternberg Astron Inst, Moscow, Russia.
[Blanc, Guillermo A.] Univ Chile, Dept Astron, Santiago, Chile.
[Blanc, Guillermo A.] CATA, Santiago, Chile.
[Blanc, Guillermo A.] Observ Carnegie Inst Sci, Pasadena, CA 91101 USA.
[Blanton, Michael R.; Hogg, David W.] New York Univ, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA.
[Cherinka, Brian] Univ Toronto, Dunlap Inst Astron & Astrophys, Toronto, ON M55 3H4, Canada.
[Gunn, James E.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.
[Harding, Paul] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA.
[Sanchez, Sebastian F.] Univ Nacl Autonoma Mexico, Inst Astron, Mexico City 04510, DF, Mexico.
[Wake, David A.] Open Univ, Dept Phys Sci, Milton Keynes MK7 6AA, Bucks, England.
[Weijmans, Anne-Marie] Univ St Andrews, Dept Phys & Astron, St Andrews KY16 9SS, Fife, Scotland.
[Xiao, Ting] Shanghai Astron Observ, Shanghai 200030, Peoples R China.
RP Yan, RB (reprint author), Univ Kentucky, Dept Phys & Astron, 505 Rose St, Lexington, KY 40506 USA.
EM yanrenbin@uky.edu
RI Blanc, Guillermo/I-5260-2016; Xiao, Ting/Q-1022-2016
FU Leverhulme Trust Early Career Fellowship; National Science Foundation;
U.S. Department of Energy Office of Science; Alfred P. Sloan Foundation;
Center for High-Performance Computing at the University of Utah;
Brazilian Participation Group; Carnegie Institution for Science,
Carnegie Mellon University; Chilean Participation Group; French
Participation Group; Harvard-Smithsonian Center for Astrophysics,
Instituto de Astrofisica de Canarias; Johns Hopkins University, Kavli
Institute for the Physics and Mathematics of the universe
(IPMU)/University of Tokyo; Lawrence Berkeley National Laboratory;
Leibniz Institut fur Astrophysik Potsdam (AIP); Max-Planck-Institut fur
Astronomie (MPIA Heidelberg); Max-Planck-Institut fur Astrophysik (MPA
Garching); Max-Planck-Institut fur Extraterrestrische Physik (MPE);
National Astronomical Observatory of China; New Mexico State University;
New York University; University of Notre Dame; Observatrio
Nacional/MCTI; Ohio State University; Pennsylvania State University;
Shanghai Astronomical Observatory; United Kingdom Participation Group;
Universidad Nacional Autonoma de Mexico; University of Arizona;
University of Colorado Boulder; University of Oxford; University of
Portsmouth; University of Utah; University of Virginia; University of
Washington; University of Wisconsin; Vanderbilt University; Yale
University; [RSF 14-50-00043]
FX We thank the referee for the very useful comments which helped improve
the paper. A.W. acknowledges support of a Leverhulme Trust Early Career
Fellowship. D.B. acknowledges support by grant RSF 14-50-00043.; This
project made use of data taken in both SDSS-III and SDSS-IV. Funding for
SDSS-III has been provided by the Alfred P. Sloan Foundation, the
Participating Institutions, the National Science Foundation, and the
U.S. Department of Energy Office of Science. Funding for the Sloan
Digital Sky Survey IV has been provided by the Alfred P. Sloan
Foundation, the U.S. Department of Energy Office of Science, and the
Participating Institutions. SDSS- IV acknowledges support and resources
from the Center for High-Performance Computing at the University of
Utah. The SDSS web site is www.sdss.org. SDSS is managed by the
Astrophysical Research Consortium for the Participating Institutions in
both collaborations. In SDSS-III these include the University of
Arizona, the Brazilian Participation Group, Brookhaven National
Laboratory, Carnegie Mellon University, University of Florida, the
French Participation Group, the German Participation Group, Harvard
University, the Instituto de Astrofisica de Canarias, the Michigan
State/Notre Dame/JINA Participation Group, Johns Hopkins University,
Lawrence Berkeley National Laboratory, Max Planck Institute for
Astrophysics, Max Planck Institute for Extraterrestrial Physics, New
Mexico State University, New York University, Ohio State University,
Pennsylvania State University, University of Portsmouth, Princeton
University, the Spanish Participation Group, University of Tokyo,
University of Utah, Vanderbilt University, University of Virginia,
University of Washington, and Yale University.; The Participating
Institutions in SDSS-IV include the Brazilian Participation Group, the
Carnegie Institution for Science, Carnegie Mellon University, the
Chilean Participation Group, the French Participation Group,
Harvard-Smithsonian Center for Astrophysics, Instituto de Astrofisica de
Canarias, The Johns Hopkins University, Kavli Institute for the Physics
and Mathematics of the universe (IPMU)/University of Tokyo, Lawrence
Berkeley National Laboratory, Leibniz Institut fur Astrophysik Potsdam
(AIP), Max-Planck-Institut fur Astronomie (MPIA Heidelberg),
Max-Planck-Institut fur Astrophysik (MPA Garching), Max-Planck-Institut
fur Extraterrestrische Physik (MPE), National Astronomical Observatory
of China, New Mexico State University, New York University, University
of Notre Dame, Observatrio Nacional/MCTI, The Ohio State University,
Pennsylvania State University, Shanghai Astronomical Observatory, United
Kingdom Participation Group, Universidad Nacional Autonoma de Mexico,
University of Arizona, University of Colorado Boulder, University of
Oxford, University of Portsmouth, University of Utah, University of
Virginia, University of Washington, University of Wisconsin, Vanderbilt
University, and Yale University.
NR 33
TC 12
Z9 12
U1 2
U2 4
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-6256
EI 1538-3881
J9 ASTRON J
JI Astron. J.
PD JAN
PY 2016
VL 151
IS 1
AR 8
DI 10.3847/0004-6256/151/1/8
PG 18
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DB1EN
UT WOS:000368250900008
ER
PT J
AU Dawson, WA
Schneider, MD
Tyson, JA
Jee, MJ
AF Dawson, William A.
Schneider, Michael D.
Tyson, J. Anthony
Jee, M. James
TI THE ELLIPTICITY DISTRIBUTION OF AMBIGUOUSLY BLENDED OBJECTS
SO ASTROPHYSICAL JOURNAL
LA English
DT Article
DE cosmology: miscellaneous; galaxies: general; gravitational lensing: weak
ID SHAPE MEASUREMENT; SHEAR ESTIMATION; DEEP FIELD; LUMINOSITY; EVOLUTION;
CONFUSION; GALAXIES; DENSITY; PROJECT; SYSTEM
AB Using overlapping fields with space-based Hubble Space Telescope and ground-based Subaru Telescope imaging we identify a population of blended galaxies that are blended to such a large degree that they are detected as single objects in the ground-based monochromatic imaging, which we label "ambiguous blends." For deep imaging data, such as the depth targeted with the Large Synoptic Survey Telescope (LSST), the ambiguous blend population is both large (similar to 14%) and has a distribution of ellipticities that is different from that of unblended objects in a way that will likely be important for weak lensing measurements. Most notably, for a limiting magnitude of i similar to 27 we find that ambiguous blending results in a similar to 14% increase in shear noise (or an similar to 12% decrease in the effective projected number density of lensed galaxies; n(eff)) due to (1) larger intrinsic ellipticity dispersion, and (2) a scaling with the galaxy number density N-gal that is shallower than 1/root N-gal. For the LSST Gold Sample (i < 25.3) there is a similar to 7% increase in shear noise (or similar to 7% decrease in n(eff)). More importantly than these increases in the shear noise, we find that the ellipticity distribution of ambiguous blends has an rms that is 13% larger than that of non-blended galaxies. Given the need of future weak lensing surveys to constrain the ellipticity distribution of galaxies to better than a percent in order to mitigate cosmic shear multiplicative biases, if it is unaccounted for, the different ellipticity distribution of ambiguous blends could be a dominant systematic.
C1 [Dawson, William A.; Schneider, Michael D.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA.
[Schneider, Michael D.; Tyson, J. Anthony; Jee, M. James] Univ Calif Davis, Davis, CA 95616 USA.
RP Dawson, WA (reprint author), Lawrence Livermore Natl Lab, POB 808 L-210, Livermore, CA 94551 USA.
EM will@dawsonresearch.com
FU U.S. DOE, LLNL [DE-AC52-07NA27344]; NSF [AST-1108893]; DOE
[DE-SC0009999]; NASA through a grant from STScI [GO-12377]; NASA
[NAS5-26555]
FX We thank the LSST DESC members for many valuable conversations related
to this work, in particular David Kirkby and Andrew Bradshaw. Part of
this work was performed under the auspices of the U.S. DOE by LLNL under
contract DE-AC52-07NA27344. This material is based upon work supported
by the NSF under grant No. AST-1108893 and DOE under grant DE-SC0009999.
Support for program number GO-12377 was provided by NASA through a grant
from STScI, which is operated by AURA, under NASA contract NAS5-26555.
This work is based in part on data collected at the Subaru Telescope,
which is operated by NOAJ.
NR 30
TC 0
Z9 0
U1 0
U2 0
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0004-637X
EI 1538-4357
J9 ASTROPHYS J
JI Astrophys. J.
PD JAN 1
PY 2016
VL 816
IS 1
AR 11
DI 10.3847/0004-637X/816/1/11
PG 10
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DB0VH
UT WOS:000368225100011
ER
PT J
AU Li, TL
Zhou, XB
Wang, K
Zhao, DF
Sadooghi, I
Zhang, Z
Raicu, I
AF Li, Tonglin
Zhou, Xiaobing
Wang, Ke
Zhao, Dongfang
Sadooghi, Iman
Zhang, Zhao
Raicu, Ioan
TI A convergence of key-value storage systems from clouds to supercomputers
SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
LA English
DT Article
DE NoSQL database; distributed key-value store; supercomputer; cloud
computing
AB This paper presents a convergence of distributed key-value storage systems in clouds and supercomputers. It specifically presents ZHT, a zero-hop distributed key-value store system, which has been tuned for the requirements of high-end computing systems. ZHT aims to be a building block for future distributed systems, such as parallel and distributed file systems, distributed job management systems, and parallel programming systems. ZHT has some important properties, such as being lightweight, dynamically allowing nodes join and leave, fault tolerant through replication, persistent, scalable, and supporting unconventional operations such as append, compare and swap, callback in addition to the traditional insert/lookup/remove. We have evaluated ZHT's performance under a variety of systems, ranging from a Linux cluster with 64 nodes, an Amazon EC2 virtual cluster up to 96 nodes, to an IBM Blue Gene/P supercomputer with 8K nodes. We compared ZHT against other key-value stores and found it offers superior performance for the features and portability it supports. This paper also presents several real systems that have adopted ZHT, namely, FusionFS (a distributed file system), IStore (a storage system with erasure coding), MATRIX (distributed scheduling), Slurm++ (distributed HPC job launch), Fabriq (distributed message queue management); all of these real systems have been simplified because of key-value storage systems and have been shown to outperform other leading systems by orders of magnitude in some cases. It is important to highlight that some of these systems are rooted in HPC systems from supercomputers, while others are rooted in clouds and ad hoc distributed systems; through our work, we have shown how versatile key-value storage systems can be in such a variety of environments. Copyright (c) 2015 John Wiley & Sons, Ltd.
C1 [Li, Tonglin; Wang, Ke; Zhao, Dongfang; Sadooghi, Iman; Raicu, Ioan] IIT, Dept Comp Sci, Chicago, IL 60616 USA.
[Raicu, Ioan] Argonne Natl Lab, MCS Div, Lemont, IL USA.
[Zhou, Xiaobing] Hortonworks, Palo Alto, CA USA.
[Zhang, Zhao] Univ Calif Berkeley, AMP Lab, Berkeley, CA 94720 USA.
RP Li, TL (reprint author), IIT, Dept Comp Sci, Chicago, IL 60616 USA.
EM tli13@hawk.iit.edu
FU National Science Foundation [NSF-1054974]; Office of Science of the U.S.
Department of Energy [DE- AC02-06CH11357]; Amazon EC2 cloud research
grant
FX This work was supported in part by the National Science Foundation grant
NSF-1054974. 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. Department of Energy under contract
DE- AC02-06CH11357. This research used Amazon EC2 cloud research grant.
NR 60
TC 0
Z9 0
U1 2
U2 3
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1532-0626
EI 1532-0634
J9 CONCURR COMP-PRACT E
JI Concurr. Comput.-Pract. Exp.
PD JAN
PY 2016
VL 28
IS 1
BP 44
EP 69
DI 10.1002/cpe.3614
PG 26
WC Computer Science, Software Engineering; Computer Science, Theory &
Methods
SC Computer Science
GA DA8WB
UT WOS:000368086200003
ER
PT J
AU Wang, K
Qiao, K
Sadooghi, I
Zhou, XB
Li, TL
Lang, M
Raicu, I
AF Wang, Ke
Qiao, Kan
Sadooghi, Iman
Zhou, Xiaobing
Li, Tonglin
Lang, Michael
Raicu, Ioan
TI Load-balanced and locality-aware scheduling for data-intensive workloads
at extreme scales
SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE
LA English
DT Article
DE data-intensive computing; data-aware scheduling; work stealing;
key-value stores; many-task computing
AB Data-driven programming models such as many-task computing (MTC) have been prevalent for running data-intensive scientific applications. MTC applies over-decomposition to enable distributed scheduling. To achieve extreme scalability, MTC proposes a fully distributed task scheduling architecture that employs as many schedulers as the compute nodes to make scheduling decisions. Achieving distributed load balancing and best exploiting data locality are two important goals for the best performance of distributed scheduling of data-intensive applications. Our previous research proposed a data-aware work-stealing technique to optimize both load balancing and data locality by using both dedicated and shared task ready queues in each scheduler. Tasks were organized in queues based on the input data size and location. Distributed key-value store was applied to manage task metadata. We implemented the technique in MATRIX, a distributed MTC task execution framework. In this work, we devise an analytical suboptimal upper bound of the proposed technique, compare MATRIX with other scheduling systems, and explore the scalability of the technique at extreme scales. Results show that the technique is not only scalable but can achieve performance within 15% of the suboptimal solution. Copyright (c) 2015 John Wiley & Sons, Ltd.
C1 [Wang, Ke; Sadooghi, Iman; Li, Tonglin; Raicu, Ioan] IIT, Dept Comp Sci, Chicago, IL 60616 USA.
[Qiao, Kan] Google Inc, Seattle, WA 98103 USA.
[Zhou, Xiaobing] Hortonworks Inc, Santa Clara, CA USA.
[Lang, Michael] Los Alamos Natl Lab, Los Alamos, NM USA.
[Raicu, Ioan] Argonne Natl Lab, Lemont, IL USA.
RP Wang, K (reprint author), IIT, Dept Comp Sci, 10 W 31st St,Stuart Bldg,Room 002, Chicago, IL 60616 USA.
EM kwang22@hawk.iit.edu
FU U.S. Department of Energy [DE-FC02-06ER25750]; National Science
Foundation (NSF) [OCI-1054974, CNS-1042543]
FX This work was supported by the U.S. Department of Energy under the
contract DE-FC02-06ER25750 and by the National Science Foundation (NSF)
under grant OCI-1054974, and also in part by the National Science
Foundation (NSF) under the award CNS-1042543 (PRObE,
http://www.nmc-probe.org/).
NR 75
TC 2
Z9 2
U1 0
U2 5
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1532-0626
EI 1532-0634
J9 CONCURR COMP-PRACT E
JI Concurr. Comput.-Pract. Exp.
PD JAN
PY 2016
VL 28
IS 1
BP 70
EP 94
DI 10.1002/cpe.3617
PG 25
WC Computer Science, Software Engineering; Computer Science, Theory &
Methods
SC Computer Science
GA DA8WB
UT WOS:000368086200004
ER
PT J
AU Terban, MW
Cheung, EY
Krolikowski, P
Billinge, SJL
AF Terban, Maxwell W.
Cheung, Eugene Y.
Krolikowski, Paul
Billinge, Simon J. L.
TI Recrystallization, Phase Composition, and Local Structure of Amorphous
Lactose from the Total Scattering Pair Distribution Function
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID X-RAY-DIFFRACTION; GLASS-TRANSITION TEMPERATURE; SPRAY-DRIED LACTOSE;
SOLID-STATE NMR; ALPHA-LACTOSE; PHARMACEUTICAL SOLIDS; CRYSTALLIZATION
KINETICS; POWDER DIFFRACTION; MOISTURE SORPTION; RELATIVE-HUMIDITY
AB Total scattering pair distribution function (TSPDF) analysis of synchrotron X-ray diffraction data has been used to study the structural characteristics of amorphous lactose and its subsequent recrystallization on aging. This shows that the recrystallization kinetics vary substantially between spray dried, lyophilized, and melt quenched samples aged at 40 degrees C/75% relative humidity (RH), although all samples consistently form the stable a monohydrate when crystallization does occur. Using TSPDF it was possible to quantify the amount of amorphous and crystalline phases present, as well as to extract other structural information such as crystallite size, as a function of time during aging from the different starting materials. We also were able to determine a correlation between a higher degree of local molecular ordering in the amorphous phase with decreased stability against recrystallization. This study shows the rich information that may be obtained from a TSPDF analysis of recrystallization from the amorphous state in organic systems.
C1 [Terban, Maxwell W.; Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
[Cheung, Eugene Y.; Krolikowski, Paul] Amgen Inc, Cambridge, MA 02142 USA.
[Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
EM sb2896@columbia.edu
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-98CH10886]; US National Science Foundation
[DMR-1216643]
FX Use of the National Synchrotron Light Source, Brookhaven National
Laboratory, was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-98CH10886. Work at Columbia U. was supported in part by the US
National Science Foundation through award DMR-1216643.
NR 59
TC 1
Z9 1
U1 10
U2 21
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1528-7483
EI 1528-7505
J9 CRYST GROWTH DES
JI Cryst. Growth Des.
PD JAN
PY 2016
VL 16
IS 1
BP 210
EP 220
DI 10.1021/acs.cgd.5b01100
PG 11
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DA7CY
UT WOS:000367963400023
ER
PT J
AU Wang, SM
Yu, XH
Zhang, JZ
Wang, LP
Leinenweber, K
He, DW
Zhao, YS
AF Wang, Shanmin
Yu, Xiaohui
Zhang, Jianzhong
Wang, Liping
Leinenweber, Kurt
He, Duanwei
Zhao, Yusheng
TI Synthesis, Hardness, and Electronic Properties of Stoichiometric VN and
CrN
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID TRANSITION-METAL NITRIDES; RAY PHOTOEMISSION SPECTRA; SINGLE-CRYSTAL
GROWTH; HIGH-PRESSURE; GALLIUM NITRIDE; TIN; SEMICONDUCTOR;
SPECTROSCOPY; POLYMORPHS; DEPOSITION
AB We report synthesis of single-crystal VN and CrN through high-pressure ionexchange reaction routes. The final products are stoichiometric and have crystallite sizes in the range of 50-120 mu m. We also prepared VN and TiN crystals using high-pressure sintering of nitride powders. On the basis of single-crystal indentation testing, the determined asymptotic Vickers hardness for TiN, VN, and CrN is 18 (1), 10 (1), and 16 (1) GPa, respectively. The relatively low hardness in VN indicates that the metallic bonding prevails due to the overfilled metallic a bonds, although the cation-anion covalent hybridization in this compound is much stronger than that in TiN and CrN. All three nitrides are intrinsically excellent metals at ambient pressure. In particular, VN exhibits superconducting transition at T-c approximate to 7.8 K, which is slightly lower than the reported values for nitrogen-deficient or crystallinedisordered samples due to unsuppressed "spin fluctuation" in the well-crystallized stoichiometric VN. The magnetostructural transition in CrN correlates with a metal metal transition at T-N = 240(5) K and is accompanied by a similar to 40% drop in electrical resistivity. In addition, more detailed electronic properties are presented with new insights into these nitrides.
C1 [Wang, Shanmin; Wang, Liping; Zhao, Yusheng] Univ Nevada, HiPSEC, Las Vegas, NV 89154 USA.
[Wang, Shanmin; Wang, Liping; Zhao, Yusheng] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA.
[Wang, Shanmin; He, Duanwei] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China.
[Yu, Xiaohui] Chinese Acad Sci, Inst Phys, Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.
[Zhang, Jianzhong] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA.
[Leinenweber, Kurt] Arizona State Univ, Sch Mol Sci, Tempe, AZ 85287 USA.
RP Wang, SM (reprint author), Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA.
EM ShanminWang@gmail.com; Yusheng.Zhao@UNLV.edu
OI Zhang, Jianzhong/0000-0001-5508-1782
FU UNLV High Pressure Science and Engineering Center (HiPSEC); DOE NNSA
Center of Excellence [DE-FC52-06NA27684]; UNLV; China 973 Program; NNSF
of China [2011CB808205, 11427810, 51472171]
FX This work is supported by UNLV High Pressure Science and Engineering
Center (HiPSEC), which is a DOE NNSA Center of Excellence operated under
Cooperative Agreement DE-FC52-06NA27684, and UNLV startup funding to
Y.Z. This work was partially supported by the China 973 Program and NNSF
of China (Grant Nos. 2011CB808205, 11427810, and 51472171). We also
thank M. Chen for help on the sample synthesis and XPS measurement.
NR 68
TC 2
Z9 2
U1 12
U2 56
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1528-7483
EI 1528-7505
J9 CRYST GROWTH DES
JI Cryst. Growth Des.
PD JAN
PY 2016
VL 16
IS 1
BP 351
EP 358
DI 10.1021/acs.cgd.5b01312
PG 8
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DA7CY
UT WOS:000367963400039
ER
PT J
AU Radmilovic, VV
Kacher, J
Ivanovic, ER
Minor, AM
Radmilovic, VR
AF Radmilovic, Vuk V.
Kacher, Josh
Ivanovic, Evica R.
Minor, Andrew M.
Radmilovic, Velimir R.
TI Multiple Twinning and Stacking Faults in Silver Dendrites
SO CRYSTAL GROWTH & DESIGN
LA English
DT Article
ID ENHANCED RAMAN-SCATTERING; METAL NANOPARTICLES; OPTICAL-PROPERTIES;
FACILE SYNTHESIS; GERMANIUM DENDRITES; GROWTH-MECHANISM; BINARY ALLOY;
NANOCRYSTALS; DISPLACEMENT; NANOPRISMS
AB Detailed defect structure of dendrite formation was studied in order to connect the mesoscopic with the atomistic structure. It was demonstrated that twinning and stacking fault formation play a central role in the growth of electrodeposited Ag dendrites. The broad faces of Ag dendrites and the main trunk growth direction were found to be ((1) over bar 11) and [(1) over bar1 (2) over bar], respectively. Dendrite branches also formed and grew from the main trunk parallel to the [12 (1) over bar] and [(211) over bar] crystallographic directions. Twins and stacking faults were found to reside on the {111} crystallographic planes, as expected for a face centered cubic (FCC) Ag crystal. Using electron back scattered diffraction (EBSD) we found two variants of in-plane 60 degrees rotational twin domains in the ((1) over bar 11) broad dendrite surface plane. The intersections of twins and stacking faults with dendrite arm surfaces are perpendicular to the (112) arm growth directions. However, occasionally twins on the {111} planes parallel to the (112) arm growth directions were also observed. Although defect assisted dendrite growth is facilitated by twinning and stacking fault formation on {111} planes, the growth directions of the trunk and branches are not of the (111) type, but rather close to (112). The (112) growth directions are maintained by breaking dendrite facets into thermodynamically stable 111 and 200 steps and structural ledges of different length.
C1 [Radmilovic, Vuk V.] Univ Belgrade, Fac Technol & Met, Innovat Ctr, Belgrade 11120, Serbia.
[Kacher, Josh] Georgia Inst Technol, Dept Mat Sci & Engn, Atlanta, GA 30332 USA.
[Ivanovic, Evica R.] Univ Belgrade, Fac Agr, Belgrade 11000, Serbia.
[Minor, Andrew M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Minor, Andrew M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Natl Ctr Elect Microscopy, Berkeley, CA 94720 USA.
[Radmilovic, Velimir R.] Univ Belgrade, Fac Technol & Met, Belgrade 11120, Serbia.
[Radmilovic, Velimir R.] Serbian Acad Arts & Sci, Belgrade 11000, Serbia.
RP Radmilovic, VV (reprint author), Univ Belgrade, Fac Technol & Met, Innovat Ctr, Karnegijeva 4, Belgrade 11120, Serbia.
EM vukradmilovic@tmf.bg.ac.rs
FU Ministry of Education, Science and Technological Development of the
Republic of Serbia [11145019, 172054]; Serbian Academy of Sciences and
Arts [F-141]; Office of Science, Office of Basic Energy Sciences, of the
U.S. Department of Energy [DE-AC02-05CH11231]
FX V.V.R. and V.R.R. acknowledge support by the Ministry of Education,
Science and Technological Development of the Republic of Serbia, under
contract Nos. 11145019 and 172054, respectively. V.R.R. acknowledges
support by Serbian Academy of Sciences and Arts under contract #F-141.
Electron microscopy was performed at the Molecular Foundry, which is
supported by the Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
NR 55
TC 2
Z9 2
U1 8
U2 25
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1528-7483
EI 1528-7505
J9 CRYST GROWTH DES
JI Cryst. Growth Des.
PD JAN
PY 2016
VL 16
IS 1
BP 467
EP 474
DI 10.1021/acs.cgd.5b01459
PG 8
WC Chemistry, Multidisciplinary; Crystallography; Materials Science,
Multidisciplinary
SC Chemistry; Crystallography; Materials Science
GA DA7CY
UT WOS:000367963400052
ER
PT J
AU Ternette, N
Yang, HB
Partridge, T
Llano, A
Cedeno, S
Fischer, R
Charles, PD
Dudek, NL
Mothe, B
Crespo, M
Fischer, WM
Korber, BTM
Nielsen, M
Borrow, P
Purcell, AW
Brander, C
Dorrell, L
Kessler, BM
Hanke, T
AF Ternette, Nicola
Yang, Hongbing
Partridge, Thomas
Llano, Anuska
Cedeno, Samandhy
Fischer, Roman
Charles, Philip D.
Dudek, Nadine L.
Mothe, Beatriz
Crespo, Manuel
Fischer, William M.
Korber, Bette T. M.
Nielsen, Morten
Borrow, Persephone
Purcell, Anthony W.
Brander, Christian
Dorrell, Lucy
Kessler, Benedikt M.
Hanke, Tomas
TI Defining the HLA class I-associated viral antigen repertoire from
HIV-1-infected human cells
SO EUROPEAN JOURNAL OF IMMUNOLOGY
LA English
DT Article
DE Cytotoxic T cells; Human immunodeficiency virus type I; Human leukocyte
antigen; Immunopeptidome; Mass spectrometry
ID MHC CLASS-I; HUMAN-IMMUNODEFICIENCY-VIRUS; T-CELLS; PEPTIDE EPITOPES;
RESPONSES; HIV-1; LENGTH; IMMUNODOMINANCE; QUANTITATION; LYMPHOCYTES
AB Recognition and eradication of infected cells by cytotoxic T lymphocytes is a key defense mechanism against intracellular pathogens. High-throughput definition of HLA class I-associated immunopeptidomes by mass spectrometry is an increasingly important analytical tool to advance our understanding of the induction of T-cell responses against pathogens such as HIV-1. We utilized a liquid chromatography tandem mass spectrometry workflow including de novo-assisted database searching to define the HLA class I-associated immunopeptidome of HIV-1-infected human cells. We here report for the first time the identification of 75 HIV-1-derived peptides bound to HLA class I complexes that were purified directly from HIV-1-infected human primary CD4(+) T cells and the C8166 human T-cell line. Importantly, one-third of eluted HIV-1 peptides had not been previously known to be presented by HLA class I. Over 82% of the identified sequences originated from viral protein regions for which T-cell responses have previously been reported but for which the precise HLA class I-binding sequences have not yet been defined. These results validate and expand the current knowledge of virus-specific antigenic peptide presentation during HIV-1 infection and provide novel targets for T-cell vaccine development.
C1 [Ternette, Nicola; Borrow, Persephone; Dorrell, Lucy; Hanke, Tomas] Univ Oxford, Nuffield Dept Med, Jenner Inst, Oxford OX3 7FZ, England.
[Ternette, Nicola; Partridge, Thomas; Fischer, Roman; Charles, Philip D.; Kessler, Benedikt M.] Univ Oxford, Nuffield Dept Med, Target Discovery Inst, Oxford OX3 7FZ, England.
[Yang, Hongbing; Dorrell, Lucy] NIHR Oxford Biomed Res Ctr, Oxford, England.
[Yang, Hongbing; Partridge, Thomas; Borrow, Persephone; Dorrell, Lucy] Univ Oxford, Nuffield Dept Med, Oxford OX3 7FZ, England.
[Llano, Anuska; Cedeno, Samandhy; Mothe, Beatriz; Brander, Christian] Autonomous Univ Barcelona, HIVACAT, Irsicaixa AIDS Res Inst, Badalona, Spain.
[Dudek, Nadine L.; Purcell, Anthony W.] Monash Univ, Dept Biochem & Mol Biol, Clayton, Vic, Australia.
[Mothe, Beatriz] Hosp Badalona Germans Trias & Pujol, Lluita Sida Fdn, Badalona, Spain.
[Mothe, Beatriz; Brander, Christian] Univ Vic, Univ Cent Catalunya, Vic, Spain.
[Crespo, Manuel] Hosp Valle De Hebron, HIV Unit, Barcelona, Spain.
[Fischer, William M.; Korber, Bette T. M.] Los Alamos Natl Lab, Theoret Biol, Grp T 6, Los Alamos, NM USA.
[Nielsen, Morten] Tech Univ Denmark, Dept Syst Biol, Ctr Biol Sequence Anal, DK-2800 Lyngby, Denmark.
[Brander, Christian] Inst Catalana Recerca & Estudis Avancats, Barcelona, Spain.
RP Ternette, N (reprint author), Univ Oxford, Nuffield Dept Med, Jenner Inst, Oxford OX3 7FZ, England.
EM nicola.ternette@ndm.ox.ac.uk
RI Nielsen, Morten/E-7754-2011;
OI Nielsen, Morten/0000-0001-7885-4311; Korber, Bette/0000-0002-2026-5757;
Ternette, Nicola/0000-0002-9283-0743; Purcell,
Anthony/0000-0003-0532-8331; Fischer, Roman/0000-0002-9715-5951;
Kessler, Benedikt/0000-0002-8160-2446
FU Medical Research Council (MRC) [G1001757, K012037]; UK Department for
International Development (DFID) under the MRC/DFID; HIVACAT programme;
Ministerio de Ciencia y Tecnologia, Spain [MTM2008-06747-C02-00, FIPSE
36-0737-0]; Instituto de Salud Carlos III (FIS, Rio Hortega)
[CM08/00020]; National Health and Medical Research Council of Australia
[1044215]
FX This work was jointly funded by the Medical Research Council (MRC,
project grant G1001757 to T.H. and B.M.K.) and the UK Department for
International Development (DFID) under the MRC/DFID Concordant
agreement. The project was further supported by the MRC programme grant
K012037 to P.B., and the HIVACAT programme and grant to C.B.
MTM2008-06747-C02-00 (GG) from the Ministerio de Ciencia y Tecnologia,
Spain, FIPSE 36-0737-0. N.T. is a Nuffield Department of Medicine
Leadership Fellow, B.M. is supported by a research fellowship grant from
the Instituto de Salud Carlos III (FIS, Rio Hortega, CM08/00020), and is
at present time a Joan Rodes investigator (JR13/00024), Madrid, Spain.
A.W.P. is supported by a senior research fellowship from the National
Health and Medical Research Council of Australia (1044215). T.H., L.D.,
and P.B. are Jenner Institute Investigators.
NR 38
TC 5
Z9 5
U1 3
U2 6
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0014-2980
EI 1521-4141
J9 EUR J IMMUNOL
JI Eur. J. Immunol.
PD JAN
PY 2016
VL 46
IS 1
BP 60
EP 69
DI 10.1002/eji.201545890
PG 10
WC Immunology
SC Immunology
GA DB0YO
UT WOS:000368234800009
PM 26467324
ER
PT J
AU Ponou, S
Doverbratt, I
Lidin, S
Miller, GJ
AF Ponou, Simeon
Doverbratt, Isa
Lidin, Sven
Miller, Gordon J.
TI Structure and Bonding of an Intergrowth Phase Ca7Ag2+xGe7-x (x
approximate to 2/3) Featuring a Zintl-Type Polyanionic Chain
SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
LA English
DT Article
DE Zintl phases; Intermetallic compounds; Germanium; Electronic structure;
Coloring problem
ID ELECTRONIC-STRUCTURE; CRYSTAL-STRUCTURE; SOLIDS; METAL; DENSITY;
CLUSTER; LITHIUM
AB Single crystals of a new ternary phase, Ca7Ag2+xGe7-x [x = 0.48(3)], were obtained from as side-product of high-temperature solid-state reactions, and its crystal structure determined by X-ray diffraction methods. Following the Zintl concept, the anionic substructure consists of a novel pentameric Zintl anion [Ge-5](12-) with C-2v local symmetry, as well as [AgxGe2-x]((6-3x)-) units accounting for [Ge-2](6-) dimers and isolated Ge4- (and Ag+) species sharing the same atomic sites. DFT-level band structure calculations were carried out on a hypothetical, fully ordered model (x = 0). We found that the electronic structure associated with the planar W-shaped [Ge-5](12-) polyanions is more suited to optimize the structure's stability than the helical configuration of the isoelectronic [Se-5](2-), in the context of incomplete charge transfer from the electropositive metal Ca. Thus, the antibonding states at the Fermi level that are centered on the two [Ge-n]((2n+2)-) oligomers can be depopulated by means of Ge-to-Ca electron back donation, strengthening at the same time the Ge-Ge bonds. These antibonding states also endow the system with substantial electronic flexibility, which may result in some phase width. Finally, plausible local ordering models of Ag/Ge mixing in [AgxGe2-x]((6-3x)-) units for x = 2/3, as expected from the Zintl concept, are briefly discussed within the coloring problem approach.
C1 [Ponou, Simeon; Doverbratt, Isa; Lidin, Sven] Lund Univ, Dept Chem, Ctr Anal & Synth, S-22100 Lund, Sweden.
[Ponou, Simeon; Miller, Gordon J.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA.
[Ponou, Simeon; Miller, Gordon J.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA.
RP Ponou, S (reprint author), Lund Univ, Dept Chem, Ctr Anal & Synth, Box 124, S-22100 Lund, Sweden.
EM simeon.ponou@chem.lu.se; gmiller@iastate.edu
FU Swedish National Science Council (VR); US National Science Foundation
(NSF) [NSF DMR 10-05765, 12-09135]; Axel Wenner-Gren Foundation
FX This work was financially supported by the Swedish National Science
Council (VR) and the US National Science Foundation (NSF) (grant numbers
NSF DMR 10-05765 and 12-09135). S. P. also thanks the Axel Wenner-Gren
Foundation for a fellowship.
NR 51
TC 2
Z9 2
U1 2
U2 4
PU WILEY-V C H VERLAG GMBH
PI WEINHEIM
PA POSTFACH 101161, 69451 WEINHEIM, GERMANY
SN 1434-1948
EI 1099-0682
J9 EUR J INORG CHEM
JI Eur. J. Inorg. Chem.
PD JAN
PY 2016
IS 1
BP 169
EP 176
DI 10.1002/ejic.201501176
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DA3VK
UT WOS:000367727600021
ER
PT J
AU Schneebeli, K
Mathesius, U
Zwart, AB
Bragg, JN
Vogel, JP
Watt, M
AF Schneebeli, Katharina
Mathesius, Ulrike
Zwart, Alexander B.
Bragg, Jennifer N.
Vogel, John P.
Watt, Michelle
TI Brachypodium distachyon genotypes vary in resistance to Rhizoctonia
solani AG8
SO FUNCTIONAL PLANT BIOLOGY
LA English
DT Article
DE adventitious roots; crown roots; defense; growth defence trade-off;
monocot; nodal roots; plant-pathogen interaction
ID NECROTROPHIC PATHOGENS RHIZOCTONIA; ROOT-ROT; CONTROLLED ENVIRONMENT;
DISEASE RESISTANCE; TEMPERATE CEREALS; WHEAT; MODEL; ARABIDOPSIS; AG-8;
BIOSYNTHESIS
AB Brachypodium distachyon (L.) P. Beauv. (Bd) has previously been developed as a pathosystem model for the wheat root rot pathogen Rhizoctonia solani Kuhn anastomosis group 8 (AG8). Here we explore variation in resistance to R. solani AG8 in Bd, to determine whether genomic tools could be used to find Bd genes involved in the grass defence response, with the aim of using this information for the improvement of Rhizoctonia root rot resistance in wheat. We looked for variation in resistance to R. solani AG8 in a diverse Bd natural accession collection and in Bd T-DNA insertion lines selected based on putative mechanisms reported for tagged genes. All lines were susceptible to the pathogen. Repeatable and significant variation in resistance was measured in both groups, with greater variation in resistance found across the natural accessions than in the T-DNA lines. The widest and most repeatable variation in resistance was between lines Koz-3 and BdTR 13a. The ratio of R. solani AG8-inoculated to uninoculated root length for line Koz-3 was 33% greater than the same ratio for line BdTR 13a. The increased resistance of Koz-3 was associated with nodal root initiation in response to the pathogen. A negative correlation between seedling vigour and resistance was observed, but found not to be the sole source of variation in resistance to R. solani AG8. The only T-DNA line with significantly greater resistance to R. solani AG8 than the reference line had an insertion in a putative galactosyltransferase gene; however, this result needs further confirmation. Genetic resistance to Rhizoctonia root rot is not available in wheat cultivars and only a few instances of quantitative resistance to the pathogen have been described within close relatives of wheat. Brachypodium distachyon offers potential for further investigation to find genes associated with quantitative resistance and mechanisms of tolerance to R. solani AG8.
C1 [Schneebeli, Katharina; Zwart, Alexander B.; Watt, Michelle] CSIRO, Agr Flagship, Canberra, ACT 2601, Australia.
[Schneebeli, Katharina; Mathesius, Ulrike] Australian Natl Univ, Res Sch Biol, Div Plant Sci, Canberra, ACT 2601, Australia.
[Bragg, Jennifer N.] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
[Vogel, John P.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA.
[Vogel, John P.] USDA, ARS, Western Reg Res Ctr, Albany, CA 94710 USA.
RP Schneebeli, K (reprint author), NSW Dept Primary Ind, 21 888 Kamilaroi Highway, Narrabri, NSW 2390, Australia.
EM kathy.schneebeli@dpi.nsw.gov.au
RI Watt, Michelle/I-6226-2016; Mathesius, Ulrike/C-9767-2009; Schneebeli,
Katharina/A-9947-2011;
OI Watt, Michelle/0000-0001-7843-0957; Schneebeli,
Katharina/0000-0002-2256-0645; Vogel, John/0000-0003-1786-2689
FU Australian Grains Research and Development Corporation (GRDC) [CSP
00129]; Office of Biological and Environmental Research, Office of
Science, US Department of Energy [DE-SC0001526, DE-AI02-07ER64452]; USA
Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]
FX We thank Vincent Chochois for help with producing seed for these
experiments and Jonathan Anderson for providing the isolate of R. solani
AG8. This work was funded by a PhD stipend to KS from the Australian
Grains Research and Development Corporation (GRDC) through grant CSP
00129, and supported by the Office of Biological and Environmental
Research, Office of Science, US Department of Energy, interagency
agreements DE-SC0001526 and DE-AI02-07ER64452 to JPV and MW. The work
conducted by the USA Department of Energy Joint Genome Institute, a DOE
Office of Science User Facility, is supported under Contract No.
DE-AC02-05CH11231.
NR 37
TC 1
Z9 1
U1 4
U2 9
PU CSIRO PUBLISHING
PI CLAYTON
PA UNIPARK, BLDG 1, LEVEL 1, 195 WELLINGTON RD, LOCKED BAG 10, CLAYTON, VIC
3168, AUSTRALIA
SN 1445-4408
EI 1445-4416
J9 FUNCT PLANT BIOL
JI Funct. Plant Biol.
PY 2016
VL 43
IS 2
SI SI
BP 189
EP 198
DI 10.1071/FP15244
PG 10
WC Plant Sciences
SC Plant Sciences
GA DA8DX
UT WOS:000368036300009
ER
PT J
AU Hutchinson, MI
Powell, AJ
Tsang, A
O'Toole, N
Berka, RM
Barry, K
Grigoriev, IV
Natvig, DO
AF Hutchinson, Miriam I.
Powell, Amy J.
Tsang, Adrian
O'Toole, Nicholas
Berka, Randy M.
Barry, Kerrie
Grigoriev, Igor V.
Natvig, Donald O.
TI Genetics of mating in members of the Chaetomiaceae as revealed by
experimental and genomic characterization of reproduction in
Myceliophthora heterothallica
SO FUNGAL GENETICS AND BIOLOGY
LA English
DT Article
DE Myceliophthora heterothallica; Thermophile; Chaetomiaceae;
Heterothallism; Mating; Genomics
ID NEUROSPORA-CRASSA; THIELAVIA-TERRESTRIS; THERMOPHILIC FUNGI; GENES;
PHYLOGENY; EVOLUTION; EUKARYOTE; LOCI
AB Members of the Chaetomiaceae are among the most studied fungi in industry and among the most reported in investigations of biomass degradation in both natural and laboratory settings. The family is recognized for production of carbohydrate-active enzymes and antibiotics. Thermophilic species are of special interest for their abilities to produce thermally stable enzymes and to be grown under conditions that are unsuitable for potential contaminant microorganisms. Such interests led to the recent acquisition of genome sequences from several members of the family, including thermophilic species, several of which are reported here for the first time. To date, however, thermophilic fungi in industry have served primarily as parts reservoirs and there has been no good genetic model for species in the family Chaetomiaceae or for thermophiles in general. We report here on the reproductive biology of the thermophile Myceliophthora heterothallica, which is heterothallic, unlike most described species in the family. We confirmed heterothallism genetically by following the segregation of mating type idiomorphs and other markers. We have expanded the number of known sexually-compatible individuals from the original isolates from Indiana and Germany to include several isolates from New Mexico. An interesting aspect of development in M. heterothallica is that ascocarp formation is optimal at approximately 30 degrees C, whereas vegetative growth is optimal at 45 degrees C. Genome sequences obtained from several strains, including isolates of each mating type, revealed mating-type regions whose genes are organized similarly to those of other members of the Sordariales, except for the presence of a truncated version of the mat A-1 (MAT1-1-1) gene in mating-type a (MAT1-2) strains. In M. heterothallica and other Chaetomiaceae, mating-type A (MAT1-1) strains have the full-length version of mat A-1 that is typical of mating-type A strains of diverse Ascomycota, whereas a strains have only the truncated version. This truncated mat A-1 has an intact open reading frame and a derived start codon that is not present in mat A-1 from A strains. The predicted protein contains a region that is conserved across diverse mat A-1 genes, but it lacks the major alphal domain, which characterizes proteins in this family and is known to be required for fertility in A strains from other Ascomycota. Finally, we have used genes from M. heterothallica to probe for mating genes in other homothallic and heterothallic members of the Chaetomiaceae. The majority of homothallic species examined have a typical mat A-1,2,3 (MAT1-1-1,2,3) region in addition to an unlinked mat a-1 (MAT1-2-1) gene, reflecting one type of homothallism commonly observed in diverse Ascomycota. (C) 2015 Elsevier Inc. All rights reserved.
C1 [Hutchinson, Miriam I.; Natvig, Donald O.] Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
[Powell, Amy J.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Tsang, Adrian; O'Toole, Nicholas] Concordia Univ, Ctr Struct & Funct Genom, Montreal, PQ, Canada.
[Berka, Randy M.] Novozymes Inc, Davis, CA USA.
[Barry, Kerrie; Grigoriev, Igor V.] DOE Joint Genome Inst, Walnut Creek, CA USA.
RP Natvig, DO (reprint author), Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA.
EM dnatvig@gmail.com
OI Natvig, Donald/0000-0003-0891-6534; Hutchinson,
Miriam/0000-0003-4077-0184
FU Genome Canada; National Science Foundation award; University of New
Mexico Research Allocations Committee; Community Sequencing Program
award from the Department of Energy's Joint Genome Institute; U.S.
Department of Energy Joint Genome Institute, a DOE Office of Science
User Facility [DE-AC02-05CH11231]; National Institutes of Health
[P30GM110907]
FX This research was partially supported by Genome Canada, a National
Science Foundation award to the University of New Mexico (UNM) for the
Sevilleta Long-term Ecological Research program, a grant from the
University of New Mexico Research Allocations Committee, and a Community
Sequencing Program award from the Department of Energy's Joint Genome
Institute. The work conducted by the U.S. Department of Energy Joint
Genome Institute, a DOE Office of Science User Facility, is supported
under Contract No. DE-AC02-05CH11231.; We thank George Rosenberg of the
UNM Department of Biology's Molecular Biology Facility for help with
sequence assembly, and we acknowledge additional technical support from
this facility under National Institutes of Health grant P30GM110907.
NR 44
TC 2
Z9 2
U1 4
U2 9
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1087-1845
EI 1096-0937
J9 FUNGAL GENET BIOL
JI Fungal Genet. Biol.
PD JAN
PY 2016
VL 86
BP 9
EP 19
DI 10.1016/j.fgb.2015.11.007
PG 11
WC Genetics & Heredity; Mycology
SC Genetics & Heredity; Mycology
GA DB2CH
UT WOS:000368315400002
PM 26608618
ER
PT J
AU Qin, ZC
Dunn, JB
Kwon, HY
Mueller, S
Wander, MM
AF Qin, Zhangcai
Dunn, Jennifer B.
Kwon, Hoyoung
Mueller, Steffen
Wander, Michelle M.
TI Soil carbon sequestration and land use change associated with biofuel
production: empirical evidence
SO GLOBAL CHANGE BIOLOGY BIOENERGY
LA English
DT Article
DE corn; cropland; emission factor; forest; grassland; life cycle analysis;
Miscanthus; poplar; switchgrass; willow
ID ORGANIC-CARBON; CROP RESIDUE; AGRICULTURAL MANAGEMENT;
VERTICAL-DISTRIBUTION; UNITED-STATES; META ANALYSIS; NO-TILL; MATTER;
MISCANTHUS; BIOENERGY
AB Soil organic carbon (SOC) change can be a major impact of land use change (LUC) associated with biofuel feedstock production. By collecting and analyzing data from worldwide field observations of major LUCs from cropland, grassland, and forest to lands producing biofuel crops (i.e. corn, switchgrass, Miscanthus, poplar, and willow), we were able to estimate SOC response ratios and sequestration rates and evaluate the effects of soil depth and time scale on SOC change. Both the amount and rate of SOC change were highly dependent on the specific land transition. Irrespective of soil depth or time horizon, cropland conversions resulted in an overall SOC gain of 6-14% relative to initial SOC level, while conversion from grassland or forest to corn (without residue removal) or poplar caused significant carbon loss (9-35%). No significant SOC changes were observed in land converted from grasslands or forests to switchgrass, Miscanthus, or willow. The SOC response ratios were similar in both 0-30 and 0-100 cm soil depths in most cases, suggesting SOC changes in deep soil and that use of top soil only for SOC accounting in biofuel life cycle analysis (LCA) might underestimate total SOC changes. Soil carbon sequestration rates varied greatly among studies and land transition types. Generally, the rates of SOC change tended to be the greatest during the 10 years following land conversion and had declined to approach 0 within about 20 years for most LUCs. Observed trends in SOC change were generally consistent with previous reports. Soil depth and duration of study significantly influence SOC change rates and so should be considered in carbon emission accounting in biofuel LCA. High uncertainty remains for many perennial systems and forest transitions, additional field trials, and modeling efforts are needed to draw conclusions about the site- and system-specific rates and direction of change.
C1 [Qin, Zhangcai; Dunn, Jennifer B.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA.
[Kwon, Hoyoung] Int Food Policy Res Inst, Environm & Prod Technol Div, Washington, DC 20006 USA.
[Mueller, Steffen] Univ Illinois, Energy Resources Ctr, Chicago, IL 60607 USA.
[Wander, Michelle M.] Univ Illinois, Dept Nat Resources & Environm Sci, Urbana, IL 61801 USA.
RP Qin, ZC (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM zqin@anl.gov; jdunn@anl.gov
OI QIN, ZHANGCAI/0000-0001-9414-4854
FU Bioenergy Technologies Office (BETO) of the Office of Energy Efficiency
and Renewable Energy of the United States Department of Energy
[DE-AC02-06CH11357]
FX We are very grateful to Christopher Clark, Axel Don, Julie Jastrow,
Umakant Mishra, Christopher Ramig, Tim Volk, Katja Walter, and Michael
Wang for helpful communication and discussions. We thank Pete Smith and
two anonymous reviews for insightful comments. This work was supported
by the Bioenergy Technologies Office (BETO) of the Office of Energy
Efficiency and Renewable Energy of the United States Department of
Energy, under contract DE-AC02-06CH11357. We thank Kristen Johnson,
Alicia Lindauer, and Zia Haq of BETO for support and guidance.
NR 62
TC 11
Z9 11
U1 6
U2 23
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1757-1693
EI 1757-1707
J9 GCB BIOENERGY
JI GCB Bioenergy
PD JAN
PY 2016
VL 8
IS 1
BP 66
EP 80
DI 10.1111/gcbb.12237
PG 15
WC Agronomy; Biotechnology & Applied Microbiology; Energy & Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA DB0BB
UT WOS:000368172500008
ER
PT J
AU Hellwinckel, C
Clark, C
Langholtz, M
Eaton, L
AF Hellwinckel, Chad
Clark, Christopher
Langholtz, Matthew
Eaton, Laurence
TI Simulated impact of the renewable fuels standard on US Conservation
Reserve Program enrollment and conversion
SO GLOBAL CHANGE BIOLOGY BIOENERGY
LA English
DT Article
DE Conservation Reserve Program; Energy Independence and Security Act;
land-use change; Renewable Fuel Standard; second-generation biofuels
ID UNITED-STATES; SWITCHGRASS; GRASSLAND; BIOFUELS; BIOMASS; ENERGY
AB A socioeconomic model is used to estimate the land-use implications on the U.S. Conservation Reserve Program from potential increases in second-generation biofuel production. A baseline scenario with no second-generation biofuel production is compared to a scenario where the Renewable Fuels Standard (RFS2) volumes are met by 2022. We allow for the possibility of converting expiring CRP lands to alternative uses such as conventional crops, dedicated second-generation biofuel crops, or harvesting existing CRP grasses for biomass. Results indicate that RFS2 volumes (RFS2-v) can be met primarily with crop residues (78% of feedstock demand) and woody residues (19% of feedstock demand) compared with dedicated biomass (3% of feedstock demand), with only minimal conversion of cropland (0.27 million hectares, <1% of total cropland), pastureland (0.28 million hectares of pastureland, <1% of total pastureland), and CRP lands (0.29 million hectares of CRP lands, 3% of existing CRP lands) to biomass production. Meeting RFS2 volumes would reduce CRP re-enrollment by 0.19 million hectares, or 4%, below the baseline scenario where RFS2 is not met. Yet under RFS2-v scenario, expiring CRP lands are more likely to be converted to or maintain perennial cover, with 1.78 million hectares of CRP lands converting to hay production, and 0.29 million hectares being harvested for existing grasses. A small amount of CRP is harvested for existing biomass, but no conversion of CRP to dedicated biomass crops, such as switchgrass, are projected to occur. Although less land is enrolled in CRP under RFS2-v scenario, total land in perennial cover increases by 0.15 million hectares, or 2%, under RFS2-v. Sensitivity to yield, payment and residue retention assumptions are evaluated.
C1 [Hellwinckel, Chad] Univ Tennessee, Agr Policy Anal Ctr, Knoxville, TN 37996 USA.
[Clark, Christopher] US EPA, Natl Ctr Environm Assessment, Washington, DC 20460 USA.
[Langholtz, Matthew; Eaton, Laurence] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA.
RP Hellwinckel, C (reprint author), Univ Tennessee, Agr Policy Anal Ctr, Knoxville, TN 37996 USA.
EM chellwin@utk.edu
RI Eaton, Laurence/E-1471-2012
OI Eaton, Laurence/0000-0003-1270-9626
FU US Environmental Protection Agency [EP-13-H-000183/0001]; US Department
of Energy, Office of Science, Office of Bioenergy Technologies
FX This material is based in part upon work supported by the US
Environmental Protection Agency under Grant Number EP-13-H-000183/0001.
This material is also based also upon work supported by the US
Department of Energy, Office of Science, Office of Bioenergy
Technologies. Any opinions, findings, and conclusions or recommendations
expressed in this material are those of the authors and do not
necessarily reflect the views of the Environmental Protection Agency or
the Department of Energy. We would also like to thank USDA Farm Service
Agency for providing CRP field-level boundary information.
NR 46
TC 1
Z9 1
U1 6
U2 14
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 1757-1693
EI 1757-1707
J9 GCB BIOENERGY
JI GCB Bioenergy
PD JAN
PY 2016
VL 8
IS 1
BP 245
EP 256
DI 10.1111/gcbb.12281
PG 12
WC Agronomy; Biotechnology & Applied Microbiology; Energy & Fuels
SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels
GA DB0BB
UT WOS:000368172500021
ER
PT J
AU Oleaga, A
Shvalya, V
Sefat, AS
Salazar, A
AF Oleaga, A.
Shvalya, V.
Sefat, A. S.
Salazar, A.
TI Transport Thermal Properties of LiTaO3 Pyroelectric Sensor from 15 K to
400 K and Its Application to the Study of Critical Behavior in EuCo2As2
SO INTERNATIONAL JOURNAL OF THERMOPHYSICS
LA English
DT Article
DE Critical behavior; EuFe2As2; LiTaO3; Photopyroelectric calorimeter;
Thermal effusivity
ID PHOTOPYROELECTRIC SPECTROSCOPY; TEMPERATURE-DEPENDENCE; PARAMETERS;
TRANSITION; HEAT
AB ac photopyroelectric calorimeters in the standard back configuration, where LiTaO3 is one of the most popular materials to be used as a detector, are commonly used to study phase transitions in solids and liquids. In order to extract the specific heat of a studied sample, a good knowledge of the thermal effusivity of the sensor as a function of temperature is needed. This function has been obtained for the first time in the range 15 K to 400 K by independently measuring LiTaO3 thermal diffusivity and specific heat and combining both of them to give thermal effusivity. Using this photopyroelectric setup and LiTaO3 as sensor, we have carried out the study of the critical behavior of the antiferromagnetic ordering of the Eu2+ spins in EuCo2As2 (a compound with similar structure as EuFe2As2, from which superconductors have been developed) at low temperature by measuring its specific heat. The critical parameters found for EuCo2As2 (alpha = -0.017, A(+)/A(-) = 1.06) agree with the 3D-XY universality class, indicating that the spins present an in-plane arrangement for Eu2+, in agreement with magnetic measurements in the literature.
C1 [Oleaga, A.; Shvalya, V.; Salazar, A.] Univ Pais Vasco UPV EHU, Escuela Tecn Super Ingn, Dept Fis Aplicada 1, Alameda 48013, Bilbao, Spain.
[Shvalya, V.] Uzhgorod State Univ, Inst Solid State Phys & Chem, UA-88000 Uzhgorod, Ukraine.
[Sefat, A. S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Oleaga, A (reprint author), Univ Pais Vasco UPV EHU, Escuela Tecn Super Ingn, Dept Fis Aplicada 1, Alameda Urquijo S-N, Alameda 48013, Bilbao, Spain.
EM alberto.oleaga@ehu.es
RI Oleaga, Alberto/L-2873-2014; Salazar, Agustin/K-5814-2014; Sefat,
Athena/R-5457-2016
OI Oleaga, Alberto/0000-0002-3618-9103; Salazar,
Agustin/0000-0002-4108-332X; Sefat, Athena/0000-0002-5596-3504
FU Ministerio de Ciencia e Innovacion; FEDER [MAT2011-23811]; Gobierno
Vasco [IT619-13]; UPV/EHU [UFI 11/55]; U.S. Department of Energy (DOE),
Office of Science, Basic Energy Sciences, Materials Science and
Engineering Division
FX This work was supported by Ministerio de Ciencia e Innovacion with FEDER
support (MAT2011-23811), Gobierno Vasco (IT619-13), and UPV/EHU (UFI
11/55). The authors thank for technical and human support provided by
"Servicio General de Apoyo a la Investigacion (SAI)", Universidad de
Zaragoza. The work at ORNL was supported by the U.S. Department of
Energy (DOE), Office of Science, Basic Energy Sciences, Materials
Science and Engineering Division.
NR 27
TC 0
Z9 0
U1 5
U2 18
PU SPRINGER/PLENUM PUBLISHERS
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0195-928X
EI 1572-9567
J9 INT J THERMOPHYS
JI Int. J. Thermophys.
PD JAN
PY 2016
VL 37
IS 1
AR 4
DI 10.1007/s10765-015-2013-1
PG 8
WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied
SC Thermodynamics; Chemistry; Mechanics; Physics
GA DA8KJ
UT WOS:000368053200004
ER
PT J
AU Smith, SA
Hughes, E
Coats, ER
Brinkman, CK
McDonald, AG
Harper, JR
Feris, K
Newby, D
AF Smith, Simon A.
Hughes, Eric
Coats, Erik R.
Brinkman, Cynthia K.
McDonald, Armando G.
Harper, Jeric R.
Feris, Kevin
Newby, Deborah
TI Toward sustainable dairy waste utilization: enhanced VFA and biogas
synthesis via upcycling algal biomass cultured on waste effluent
SO JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
LA English
DT Article
DE algae; anaerobic digestion; fermentation; polyhydroxyalkanoate (PHA);
volatile solids
ID MANURE NUTRIENTS; METHANE; WATER
AB BACKGROUND: In 2012, 9.3 million head of dairy cows in the USA produced an estimated 20 million metric tons of manure solids, but little value was gained from this manure. There is a pressing need to enhance manure resource recovery efforts, as dairy manure has potentially significant environmental impacts. This study evaluated components of an integrated suite of biological processes designed to maximize resource recovery from dairy manure, in which algae grown on polyhydroxyalkanoate (PHA) production effluent (PHA-algae) were fermented and anaerobically digested to determine process impacts.
RESULTS: A 10% PHA-algae supplement produced 11% more volatile fatty acids (VFA) during fermentation and 11% more methane during anaerobic digestion (AD) (vs. dairy manure); the PHA-algae biogas also contained a higher percentage (62.7 vs. 59.1%) of methane than manure biogas. Algal augmentation exhibited no negative effect on fermenter or AD operation. Quantitative polymerase chain reaction (PCR) showed that the ADs contained substantial populations of both acetoclastic and hydrogenotrophic methanogens, which, given the heterogeneous substrate, enhanced process stability. There were significant differences between PHA-algae batches, and large quantities of COD were released during algae freezing.
CONCLUSION: PHA-algae yielded more VFA during fermentation, and a more methane-rich biogas following AD than dairy manure. A 10% PHA-algae supplement caused no process disturbance in normal manure flora. (c) 2015 Society of Chemical Industry
C1 [Smith, Simon A.; Hughes, Eric; Coats, Erik R.; Brinkman, Cynthia K.] Univ Idaho, Dept Civil Engn, Moscow, ID 83844 USA.
[McDonald, Armando G.] Univ Idaho, Dept Forest Rangeland & Fire Serv, Moscow, ID 83844 USA.
[Harper, Jeric R.; Feris, Kevin] Boise State Univ, Dept Biol Sci, Boise, ID 83725 USA.
[Newby, Deborah] Idaho Natl Lab, Idaho Falls, ID USA.
RP Coats, ER (reprint author), Univ Idaho, Dept Civil Engn, Moscow, ID 83844 USA.
EM ecoats@uidaho.edu
RI Coats, Erik/C-2887-2008
OI Coats, Erik/0000-0003-2796-9949
FU Idaho National Lab (INL) Laboratory Directed Research & Development
(LDRD) Program under DOE Idaho Operations Office, as a component of the
Center for Advanced Energy Studies (CAES) research portfolio
[DE-AC07-05ID14517]
FX This work was supported through the Idaho National Lab (INL) Laboratory
Directed Research & Development (LDRD) Program under DOE Idaho
Operations Office Contract DE-AC07-05ID14517, as a component of the
Center for Advanced Energy Studies (CAES) research portfolio.
NR 38
TC 1
Z9 1
U1 8
U2 24
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0268-2575
EI 1097-4660
J9 J CHEM TECHNOL BIOT
JI J. Chem. Technol. Biotechnol.
PD JAN
PY 2016
VL 91
IS 1
BP 113
EP 121
DI 10.1002/jctb.4706
PG 9
WC Biotechnology & Applied Microbiology; Chemistry, Multidisciplinary;
Engineering, Environmental; Engineering, Chemical
SC Biotechnology & Applied Microbiology; Chemistry; Engineering
GA DA6YI
UT WOS:000367951400012
ER
PT J
AU Borreguero, JM
Lynch, VE
AF Borreguero, Jose M.
Lynch, Vickie E.
TI Molecular Dynamics Force-Field Refinement against Quasi-Elastic Neutron
Scattering Data
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID POTENTIAL FUNCTIONS; LIQUID WATER; SIMULATIONS; OPTIMIZATION; PACKAGE;
SPECTROSCOPY; TEMPERATURE; TRANSITION; FORMALISM; HYDRATION
AB Quasi-elastic neutron scattering (QENS) is one of the experimental techniques of choice for probing the dynamics at length and time scales that are also in the realm of full-atom molecular dynamics (MD) simulations. This overlap enables extension of current fitting methods that use time-independent equilibrium measurements to new methods fitting against dynamics data. We present an algorithm that fits simulation-derived incoherent dynamical structure factors "against QENS data probing the diffusive dynamics of the system. We showcase the difficulties inherent to this type of fitting problem, namely, the disparity between simulation and experiment environment, as well as limitations in the simulation due to incomplete sampling of phase space. We discuss a methodology to overcome these difficulties and apply it to a set of full-atom MD simulations for the purpose of refining the force-field parameter governing the activation energy of methyl rotation in the octa-methyl polyhedral oligomeric silsesquioxane molecule. Our optimal simulated activation energy agrees with the experimentally derived value up to a 5% difference, well within experimental error. We believe the method will find applicability to other types of diffusive motions and other representation of the systems such as coarse-grain models where empirical fitting is essential. Also, the refinement method can be extended to the coherent dynamic structure factor with no additional effort.
C1 [Borreguero, Jose M.; Lynch, Vickie E.] Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA.
RP Borreguero, JM (reprint author), Oak Ridge Natl Lab, Neutron Data Anal & Visualizat Div, Oak Ridge, TN 37831 USA.
EM borreguerojm@ornl.gov
RI Lynch, Vickie/J-4647-2012; Borreguero, Jose/B-2446-2009
OI Lynch, Vickie/0000-0002-5836-7636; Borreguero, Jose/0000-0002-0866-8158
FU Center for Accelerating Materials Modeling (CAMM) - U.S. Department of
Energy, Basic Energy Sciences, Materials Sciences and Engineering
Division Division [FWP-3ERKCSNL]; Division of Scientific User
Facilities, Office of Basic Energy Sciences, U.S. Department of Energy
[DE-AC05-00OR22725]; UT-Battelle, LLC
FX Authors would like to thank S. E. Anderson, for initial topology and
coordinates files; N. Jalarvo, M. K. Crawford, and E. Mamontov, for
providing the experimental structure factors and fruitful discussions;
and K. W. Herwig and T. Proffen, for careful review of the manuscript
and providing valuable comments and suggestions. J.M.B. and V.E.L. are
supported by the Center for Accelerating Materials Modeling (CAMM),
which is funded by the U.S. Department of Energy, Basic Energy Sciences,
Materials Sciences and Engineering Division Division, under
FWP-3ERKCSNL. Research at the Spoliation Neutron Source was sponsored by
the Division of Scientific User Facilities, Office of Basic Energy
Sciences, U.S. Department of Energy, under Contract No.
DE-AC05-00OR22725 with UT-Battelle, LLC.
NR 42
TC 1
Z9 1
U1 5
U2 18
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD JAN
PY 2016
VL 12
IS 1
BP 9
EP 17
DI 10.1021/acs.jctc.5b00878
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500002
PM 26616475
ER
PT J
AU Perez, D
Cubuk, ED
Waterland, A
Kaxiras, E
Voter, AF
AF Perez, Danny
Cubuk, Ekin D.
Waterland, Amos
Kaxiras, Efthimios
Voter, Arthur F.
TI Long-Time Dynamics through Parallel Trajectory Splicing
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID ACCELERATED MOLECULAR-DYNAMICS; INFREQUENT EVENTS; REPLICA DYNAMICS;
SIMULATION
AB Simulating the atomistic evolution of materials over long time scales is a longstanding challenge, especially for complex systems where the distribution of barrier heights is very heterogeneous. Such systems are difficult to investigate using conventional long-time scale techniques, and the fact that they tend to remain trapped in small regions of configuration space for extended periods of time strongly limits the physical insights gained from short simulations. We introduce a novel simulation technique, Parallel Trajectory Splicing (Par Splice), that aims at addressing this problem through the timewise parallelization of long trajectories. The computational efficiency of Par Splice stems from a speculation strategy whereby predictions of the future evolution of the system are leveraged to increase the amount of work that can be concurrently performed at any one time, hence improving the scalability of the method. ParSplice is also able to accurately account for, and potentially reuse, a substantial fraction of the computational work invested in the simulation. We validate the method on a simple Ag surface system and demonstrate substantial increases in efficiency compared to previous methods. We then demonstrate the power of ParSplice through the study of topology changes in Ag42Cu13 core shell nanoparticles.
C1 [Perez, Danny; Voter, Arthur F.] Los Alamos Natl Lab, Theoret Div T 1, Los Alamos, NM 87544 USA.
[Cubuk, Ekin D.; Waterland, Amos; Kaxiras, Efthimios] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA.
[Cubuk, Ekin D.; Waterland, Amos; Kaxiras, Efthimios] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA.
RP Perez, D (reprint author), Los Alamos Natl Lab, Theoret Div T 1, POB 1663, Los Alamos, NM 87544 USA.
EM danny_perez@lanl.gov; kaxiras@physics.harvard.edu; afv@lanl.gov
FU U.S. Department of Energy through the Los Alamos National Laboratory
(LANL)/LDRD Program; United States Department of Energy (U.S. DOE),
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division; U.S. Army Research Laboratory through
Collaborative Research Alliance (CRA) for Multiscale Multidisciplinary
Modeling of Electronic Materials (MSME); National Science Foundation
[CCF-1438983, ID 2012116808]; Google Faculty Research Award; US DOE
[DE-AC52-06NA25396]
FX Work at Los Alamos National Laboratory was supported by the U.S.
Department of Energy through the Los Alamos National Laboratory
(LANL)/LDRD Program and by the United States Department of Energy (U.S.
DOE), Office of Science, Office of Basic Energy Sciences, Materials
Sciences and Engineering Division, during initial conceptual
developments. Work at Harvard University was supported in part by a
grant from the U.S. Army Research Laboratory through the Collaborative
Research Alliance (CRA) for Multiscale Multidisciplinary Modeling of
Electronic Materials (MSME). A.W. acknowledges support by the National
Science Foundation under Grant No. CCF-1438983, a Graduate Research
Fellowship under Fellow ID 2012116808, and by a Google Faculty Research
Award. Los Alamos National Laboratory is operated by Los Alamos National
Security, LLC, for the National Nuclear Security administration of the
US DOE under contract DE-AC52-06NA25396. This research used resources
provided by the Los Alamos National Laboratory Institutional Computing
Program.
NR 27
TC 2
Z9 2
U1 2
U2 10
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD JAN
PY 2016
VL 12
IS 1
BP 18
EP 28
DI 10.1021/acs.jctc.5b00916
PG 11
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500003
PM 26605853
ER
PT J
AU Panetier, JA
Letko, CS
Tilley, TD
Head-Gordon, M
AF Panetier, Julien A.
Letko, Christopher S.
Tilley, T. Don
Head-Gordon, Martin
TI Computational Characterization of Redox Non-Innocence in
Cobalt-Bis(Diaryldithiolene)-Catalyzed Proton Reduction
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID ELECTROCATALYTIC HYDROGEN EVOLUTION; COBALT-DITHIOLENE COMPLEXES;
CATALYTIC WATER OXIDATION; DIIMINE-DIOXIME COMPLEXES; COUPLED
ELECTRON-TRANSFER; DENSITY-FUNCTIONAL THEORY; ARTIFICIAL PHOTOSYNTHESIS;
H-2 PRODUCTION; MOLECULAR ELECTROCATALYSTS; AQUEOUS-SOLUTIONS
AB Localized orbital bonding analysis (LOBA) was employed to probe the oxidation state in cobalt-bis(diaryldithiolene)-catalyzed proton reduction in nonaqueous media. LOBA calculations provide both the oxidation state and chemically intuitive views of bonding in cobalt-bis(diaryldithiolene) species and therefore allow characterization of the role of the redox non-innocent dithiolene ligand. LOBA results show that the reduction of the monoanion species [1Br](-) is metal-centered and gives a cobalt(II) ion species, [1Br](2-), coordinated to two dianionic ene-1,2-dithiolates. This electronic configuration is in agreement with the solution magnetic moment observed for the analogous salt [1F](2-) (mu(eff) = 2.39 mu(B)). Protonation of [1Br](2-) yields the cobalt(III)-hydride [1Br(CoH)](-) species in which the Co-H bond is computed to be highly covalent (Lowdin populations close to 0.50 on cobalt and hydrogen atoms). Further reduction of [1Br(CoH)](-) forms a more basic cobalt(II)-H intermediate [1Br(CoH)](2-) (S = 0) from which protonation at sulfur gives a S-H bond syn to the Co-H bond. Formation of a cobalt-dihydrogen [1Br(CoH2)](-) intermediate is calculated to occur via a homocoupling (H-center dot + H-center dot -> H-2) step with a free energy of activation of 5.9 kcal/mol in solution (via C-PCM approach).
C1 [Panetier, Julien A.; Letko, Christopher S.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Tilley, T. Don; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Tilley, TD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
EM tdtilley@berkeley.edu; mhg@cchem.berkeley.edu
OI Panetier, Julien/0000-0003-4905-8396
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 104
TC 4
Z9 4
U1 7
U2 35
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD JAN
PY 2016
VL 12
IS 1
BP 223
EP 230
DI 10.1021/acs.jctc.5b00968
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500021
PM 26598074
ER
PT J
AU Haxton, TK
Zuckermann, RN
Whitelam, S
AF Haxton, Thomas K.
Zuckermann, Ronald N.
Whitelam, Stephen
TI Implicit-Solvent Coarse-Grained Simulation with a Fluctuating Interface
Reveals a Molecular Mechanism for Peptoid Mono layer Buckling
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID LATTICE-GAS MODEL; LENGTH SCALES; NANOPARTICLES; NANOSHEETS; POLYMERS;
COLLAPSE
AB Peptoid polymers form extended two-dimensional nanostructures via an interface-mediated assembly process: the amphiphilic peptoids first adsorb to an air water interface as a monolayer, then buckle and collapse into free-floating bilayer nanosheets when the interface is compressed. Here, we investigate the molecular mechanism of monolayer buckling by developing a method for incorporating interface fluctuations into an implicit-solvent coarse-grained model. Representing the interface with a triangular mesh controlled by surface tension and surfactant adsorption, we predict the direction of buckling for peptoids with a segregated arrangement of charged side chains and predict that peptoids with with an alternating charge pattern should buckle less easily than peptoids with a segregated charge pattern.
C1 [Haxton, Thomas K.; Zuckermann, Ronald N.; Whitelam, Stephen] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Haxton, TK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
EM tomhaxton@gmail.com; swhitelam@lbl.gov
FU Defense Threat Reduction Agency [IACRO-B1144571]; Office of Science,
Office of Basic Energy Sciences of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX We thank David Chandler, Ranjan Mannige, Ellen Robertson, and Suri
Vaikuntanathan for useful discussions. This project was funded by the
Defense Threat Reduction Agency under Contract No. IACRO-B1144571. Work
at the Molecular Foundry and the National Energy Research Scientific
Computing Center 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.
NR 30
TC 0
Z9 0
U1 5
U2 13
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD JAN
PY 2016
VL 12
IS 1
BP 345
EP 352
DI 10.1021/acs.jctc.5b00910
PG 8
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500032
PM 26647143
ER
PT J
AU Lee, J
Cheng, X
Swails, JM
Yeom, MS
Eastman, PK
Lemkul, JA
Wei, S
Buckner, J
Jeong, JC
Qi, YF
Jo, S
Pande, VS
Case, DA
Brooks, CL
MacKerell, AD
Klauda, JB
Im, W
AF Lee, Jumin
Cheng, Xi
Swails, Jason M.
Yeom, Min Sun
Eastman, Peter K.
Lemkul, Justin A.
Wei, Shuai
Buckner, Joshua
Jeong, Jong Cheol
Qi, Yifei
Jo, Sunhwan
Pande, Vijay S.
Case, David A.
Brooks, Charles L., III
MacKerell, Alexander D., Jr.
Klauda, Jeffery B.
Im, Wonpil
TI CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and
CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION
LA English
DT Article
ID MOLECULAR-DYNAMICS SIMULATIONS; LIPID-BILAYERS; MEMBRANE SIMULATIONS;
USER-INTERFACE; BUILDER; PHASE; CHAIN; VALIDATION; PROTEIN; UPDATE
AB Proper treatment of nonbonded interactions is essential for the accuracy of molecular dynamics (MD) simulations, especially in studies of lipid bilayers. The use of the CHARMM36 force field (C36 FF) in different MD simulation programs can result in disagreements with published simulations performed with CHARMM due to differences in the protocols used to treat the long-range and 14 nonbonded interactions. In this study, we systematically test the use of the C36 lipid FF in NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM. A wide range of Lennard-Jones (LJ) cutoff schemes and integrator algorithms were tested to find the optimal simulation protocol to best match bilayer properties of six lipids with varying acyl chainsaturation and head groups. MD simulations of a 1,2-dipalmitoyl-sn-phosphatidylcholine (DPPC) bilayer were used to obtain the optimal protocol for each program. MD simulations with all programs were found to reasonably match the DPPC bilayer properties (surface area per lipid, chain order parameters, and area compressibility modulus) obtained using the standard protocol used in CHARMM as well as from experiments. The optimal simulation protocol was then applied to the other five lipid simulations and resulted in excellent agreement between results from most simulation programs as well as with experimental data. AMBER compared least favorably with the expected membrane properties, which appears to be due to its use of the hard-truncation in the LJ potential versus a force-based switching function used to smooth the LJ potential as it approaches the cutoff distance. The optimal simulation protocol for each program has been implemented in CHARMM-GUI. This protocol is expected to be applicable to the remainder of the additive C36 FF including the proteins, nucleic acids, carbohydrates, and small molecules.
C1 [Lee, Jumin; Cheng, Xi; Qi, Yifei; Im, Wonpil] Univ Kansas, Dept Mol Biosci, Lawrence, KS 66047 USA.
[Lee, Jumin; Cheng, Xi; Qi, Yifei; Im, Wonpil] Univ Kansas, Ctr Computat Biol, Lawrence, KS 66047 USA.
[Swails, Jason M.; Case, David A.] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA.
[Yeom, Min Sun] Korean Inst Sci & Technol Informat, Daejeon 305806, South Korea.
[Eastman, Peter K.; Pande, Vijay S.] Stanford Univ, Dept Bioengn, Stanford, CA 94035 USA.
[Lemkul, Justin A.; MacKerell, Alexander D., Jr.] Univ Maryland, Sch Pharm, Dept Pharmaceut Sci, Baltimore, MD 21201 USA.
[Wei, Shuai; Buckner, Joshua; Brooks, Charles L., III] Univ Michigan, Dept Chem, Ann Arbor, MI 48109 USA.
[Wei, Shuai; Buckner, Joshua; Brooks, Charles L., III] Univ Michigan, Biophys Program, Ann Arbor, MI 48109 USA.
[Jeong, Jong Cheol] Harvard Univ, Sch Med, Beth Israel Deaconess Canc Ctr, Canc Res Inst, Boston, MA 02215 USA.
[Jo, Sunhwan] Argonne Natl Lab, Leadership Comp Facil, Argonne, IL 60439 USA.
[Klauda, Jeffery B.] Univ Maryland, Dept Chem & Biomol Engn, College Pk, MD 20742 USA.
[Klauda, Jeffery B.] Univ Maryland, Biophys Program, College Pk, MD 20742 USA.
RP Im, W (reprint author), Univ Kansas, Dept Mol Biosci, Lawrence, KS 66047 USA.
EM wonpil@ku.edu
FU NSF [DBI-1145987, MCB-1157677, MCB-I149187, DBI-1145652]; NIH
[U54GM087519, R01GM072558, GM051501, GM070855, F32GM109632, GM103695,
GM037554]; XSEDE [MCB070009]
FX This work was supported by NSF DBI-1145987, NSF MCB-1157677, NIH
U54GM087519, XSEDE MCB070009 (to W.I.), NIH R01GM072558, GM051501,
GM070855 (A.D.M.), NSF MCB-I149187, NSF DBI-1145652 (J.B.K.), NIH
F32GM109632 NIH GM103695, GM037554 (C.L.B.), and the National Institute
of Supercomputing and Networking/Korea Institute of Science and
Technology Information with supercomputing resources including technical
support [KSC-2015-C3-004] (M.S.Y.).
NR 66
TC 43
Z9 43
U1 22
U2 47
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1549-9618
EI 1549-9626
J9 J CHEM THEORY COMPUT
JI J. Chem. Theory Comput.
PD JAN
PY 2016
VL 12
IS 1
BP 405
EP 413
DI 10.1021/acs.jctc.5b00935
PG 9
WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical
SC Chemistry; Physics
GA DB2FA
UT WOS:000368322500038
PM 26631602
ER
PT J
AU Aston, JE
Apel, WA
Lee, BD
Thompson, DN
Lacey, JA
Newby, DT
Reed, DW
Thompson, VS
AF Aston, John E.
Apel, William A.
Lee, Brady D.
Thompson, David N.
Lacey, Jeffrey A.
Newby, Deborah T.
Reed, David. W.
Thompson, Vicki S.
TI Degradation of phenolic compounds by the lignocellulose deconstructing
thermoacidophilic bacterium Alicyclobacillus Acidocaldarius
SO JOURNAL OF INDUSTRIAL MICROBIOLOGY & BIOTECHNOLOGY
LA English
DT Article
DE Alicyclobacillus acidocaldarius; Thermophiles; Phenolics; Bioremoval
ID MULTICOPPER OXIDASE; LACCASE; BIODEGRADATION; GROWTH; TECHNOLOGY;
BIOREACTOR; ENZYMES
AB Alicyclobacillus acidocaldarius, a thermoacidophilic bacterium, has a repertoire of thermo- and acid-stable enzymes that deconstruct lignocellulosic compounds. The work presented here describes the ability of A. acidocaldarius to reduce the concentration of the phenolic compounds: phenol, ferulic acid, rho-coumaric acid and sinapinic acid during growth conditions. The extent and rate of the removal of these compounds were significantly increased by the presence of micro-molar copper concentrations, suggesting activity by copper oxidases that have been identified in the genome of A. acidocaldarius. Substrate removal kinetics was first order for phenol, ferulic acid, rho-coumaric acid and sinapinic acid in the presence of 50 mu M copper sulfate. In addition, laccase enzyme assays of cellular protein fractions suggested significant activity on a lignin analog between the temperatures of 45 and 90 A degrees C. This work shows the potential for A. acidocaldarius to degrade phenolic compounds, demonstrating potential relevance to biofuel production and other industrial processes.
C1 [Aston, John E.; Apel, William A.; Thompson, David N.; Lacey, Jeffrey A.; Newby, Deborah T.; Reed, David. W.; Thompson, Vicki S.] Idaho Natl Lab, Biol & Chem Proc Dept, Idaho Falls, ID 83402 USA.
[Lee, Brady D.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA.
RP Aston, JE (reprint author), Idaho Natl Lab, Biol & Chem Proc Dept, Idaho Falls, ID 83402 USA.
EM john.aston@inl.gov
RI Thompson, Vicki/B-9086-2017; Reed, David/C-3337-2017
OI Thompson, Vicki/0000-0003-4975-392X; Reed, David/0000-0003-4877-776X
FU Idaho National Laboratory Directed Research and Development program
under Department of Energy Idaho Operations Office [DE-AC07-05ID14517]
FX This work was supported by the Idaho National Laboratory Directed
Research and Development program under Department of Energy Idaho
Operations Office Contract DE-AC07-05ID14517.
NR 42
TC 0
Z9 0
U1 2
U2 16
PU SPRINGER HEIDELBERG
PI HEIDELBERG
PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY
SN 1367-5435
EI 1476-5535
J9 J IND MICROBIOL BIOT
JI J. Ind. Microbiol. Biotechnol.
PD JAN
PY 2016
VL 43
IS 1
BP 13
EP 23
DI 10.1007/s10295-015-1700-z
PG 11
WC Biotechnology & Applied Microbiology
SC Biotechnology & Applied Microbiology
GA DA5PU
UT WOS:000367855800003
PM 26542284
ER
PT J
AU Singh, N
Ramirez-Carvajal, L
de los Santos, T
Golding, MC
Long, CR
AF Singh, Neetu
Ramirez-Carvajal, Lisbeth
de los Santos, Teresa
Golding, Michael C.
Long, Charles R.
TI Inhibition of EHMT2 Induces a Robust Antiviral Response Against
Foot-and-Mouth Disease and Vesicular Stomatitis Virus Infections in
Bovine Cells
SO JOURNAL OF INTERFERON AND CYTOKINE RESEARCH
LA English
DT Article
ID G9A HISTONE METHYLTRANSFERASE; ALPHA-INTERFERON; PROTEIN-KINASE;
METHYLATION; EXPRESSION; H3; REPLICATION; CONTRIBUTES; REPRESSION;
PROMOTER
AB The genetic regulatory network controlling the innate immune system is well understood in many species. However, the role of the epigenetic mechanisms underlying the expression of immunoregulatory genes is less clear, especially in livestock species. Histone H3 lysine 9 dimethylation (H3K9me2) is an epigenetic modification associated with transcriptional silencing within the euchromatin regions. Euchromatic histone-lysine N-methyltransferase 2 (EHMT2; also known as G9a) is a crucial enzyme responsible for regulating the dynamics of this epigenetic modification. It has been shown that histone modifications play a role in regulating type I interferon (IFN) response. In the present study, we investigated the role of EHMT2 in the epigenetic regulation of bovine antiviral innate immunity and explored its therapeutic potential against viral infections. We evaluated the effects of pharmacological and RNAi-mediated inhibition of EHMT2 on the transcription of IFN- and other IFN-inducible antiviral genes, as well as its effect on foot-and-mouth disease virus (FMDV) and vesicular stomatitis virus (VSV) replication in bovine cells. We show that treatment of primary bovine cells with the synthetic EHMT2 inhibitor (UNC0638) either before or shortly after virus infection resulted in a significant increase in transcript levels of bovine IFN- (boIFN-; 300-fold) and other IFN-inducible genes, including IFN-stimulated gene 15 (ISG-15), myxovirus resistance 1 (Mx-1), Mx-2, RIG-I, 2,5-oligoadenylate synthetase 1 (OAS-1), and protein kinase R (PKR). Expression of these factors correlated with a significant decrease in VSV and FMDV viral titers. Our data confirm the involvement of EHMT2 in the epigenetic regulation of boIFN- and demonstrate the activation of a general antiviral state after EHMT2 inhibition.
C1 [Singh, Neetu; Ramirez-Carvajal, Lisbeth; Golding, Michael C.; Long, Charles R.] Texas A&M Univ, Dept Vet Physiol & Pharmacol, Coll Vet Med & Biomed Sci, College Stn, TX 77843 USA.
[Ramirez-Carvajal, Lisbeth] Plum Isl Anim Dis Ctr, Oak Ridge Inst Sci & Educ, Res Participat Program, Oak Ridge, TN USA.
[de los Santos, Teresa] ARS, Plum Isl Anim Dis Ctr, USDA, Greenport, NY USA.
RP Singh, N (reprint author), Texas A&M Univ, Dept Vet Physiol & Pharmacol, Coll Vet Med & Biomed Sci, 332 VMA, College Stn, TX 77843 USA.
EM nsingh@cvm.tamu.edu; clong@cvm.tamu.edu
OI GOLDING, MICHAEL/0000-0003-1631-2175
FU Texas A&M College of Veterinary Medicine and Biomedical Sciences Postdoc
Trainee Research Grant, Texas Agrilife Exceptional Research Pilot
Programs; [NIH-OD 8R240D011188-02]
FX This research was supported by the Texas A&M College of Veterinary
Medicine and Biomedical Sciences Postdoc Trainee Research Grant, Texas
Agrilife Exceptional Research Pilot Programs. N.S. was partially funded
through NIH-OD 8R240D011188-02. We thank Luis L. Rodriguez for his
supervision and assistance in conducting experiments at Plum Island
Animal Disease Center. We would also like to thank Kylee Veazey, Mike
Peoples, and Daria Muller for technical assistance.
NR 40
TC 0
Z9 0
U1 2
U2 7
PU MARY ANN LIEBERT, INC
PI NEW ROCHELLE
PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA
SN 1079-9907
EI 1557-7465
J9 J INTERF CYTOK RES
JI J. Interferon Cytokine Res.
PD JAN 1
PY 2016
VL 36
IS 1
BP 37
EP 47
DI 10.1089/jir.2015.0006
PG 11
WC Biochemistry & Molecular Biology; Cell Biology; Immunology
SC Biochemistry & Molecular Biology; Cell Biology; Immunology
GA DA7WD
UT WOS:000368014900005
PM 26418342
ER
PT J
AU Rettie, AJE
Chemelewski, WD
Wygant, BR
Lindemuth, J
Lin, JF
Eisenberg, D
Brauer, CS
Johnson, TJ
Beiswenger, TN
Ash, RD
Li, X
Zhou, JS
Mullins, CB
AF Rettie, Alexander J. E.
Chemelewski, William D.
Wygant, Bryan R.
Lindemuth, Jeffrey
Lin, Jung-Fu
Eisenberg, David
Brauer, Carolyn S.
Johnson, Timothy J.
Beiswenger, Toya N.
Ash, Richard D.
Li, Xiang
Zhou, Jianshi
Mullins, C. Buddie
TI Synthesis, electronic transport and optical properties of Si:alpha-Fe2O3
single crystals
SO JOURNAL OF MATERIALS CHEMISTRY C
LA English
DT Article
ID SMALL POLARONS; ELECTRICAL-PROPERTIES; THIN-FILMS; MAGNETIC
SEMICONDUCTORS; ALPHA-FE2O3 PHOTOANODES; METAL-OXIDE; HEMATITE;
ABSORPTION; FE2O3; SUBSTITUTION
AB We report the synthesis of silicon-doped hematite (Si:alpha-Fe2O3) single crystals via chemical vapor transport, with Si incorporation on the order of 1019 cm(-3). The conductivity, Seebeck and Hall effect were measured in the basal plane between 200 and 400 K. Distinct differences in electron transport were observed above and below the magnetic transition temperature of hematite at similar to 265 K (the Morin transition, T-M). Above 265 K, transport was found to agree with the adiabatic small-polaron model, the conductivity was characterized by an activation energy of similar to 100 meV and the Hall effect was dominated by the weak ferromagnetism of the material. A room temperature electron drift mobility of similar to 10(-2) cm(2) V-1 s(-1) was estimated. Below TM, the activation energy increased to similar to 160 meV and a conventional Hall coefficient could be determined. In this regime, the Hall coefficient was negative and the corresponding Hall mobility was temperature-independent with a value of similar to 10(-1) cm(2) V-1 s(-1). Seebeck coefficient measurements indicated that the silicon donors were fully ionized in the temperature range studied. Finally, we observed a broad infrared absorption upon doping and tentatively assign the feature at similar to 0.8 eV to photon-assisted small-polaron hops. These results are discussed in the context of existing hematite transport studies.
C1 [Rettie, Alexander J. E.; Mullins, C. Buddie] Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA.
[Chemelewski, William D.; Li, Xiang; Zhou, Jianshi; Mullins, C. Buddie] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA.
[Wygant, Bryan R.; Mullins, C. Buddie] Univ Texas Austin, Dept Chem, Austin, TX 78712 USA.
[Lindemuth, Jeffrey] Lake Shore Cryotron, Westerville, OH 43082 USA.
[Lin, Jung-Fu] Univ Texas Austin, Dept Geol Sci, Austin, TX 78712 USA.
[Lin, Jung-Fu] Ctr High Pressure Sci & Technol Adv Res HPSTAR, Shanghai 201900, Peoples R China.
[Eisenberg, David] Univ Amsterdam, Vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands.
[Brauer, Carolyn S.; Johnson, Timothy J.; Beiswenger, Toya N.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Ash, Richard D.] Univ Maryland, Dept Geol, College Pk, MD 20742 USA.
RP Mullins, CB (reprint author), Univ Texas Austin, McKetta Dept Chem Engn, Austin, TX 78712 USA.
EM mullins@che.utexas.edu
RI Lin, Jung-Fu/B-4917-2011
FU U.S. Department of Energy (DOE) [DE-FG02-09ER16119]; Welch Foundation
[F-1436]; Hemphill-Gilmore Endowed fellowship; NSFMIRT [DMR 1122603];
U.S. Department of Energy, National Nuclear Security Administration,
Office of Defense Nuclear Nonproliferation RD [NA-22]; U.S. DOE
[DE-AC05-76RLO1830]
FX The authors gratefully acknowledge the U.S. Department of Energy (DOE)
Grant DE-FG02-09ER16119 and Welch Foundation Grant F-1436. We thank A.
J. Bard and J. Y. Kim for the use of the three-zone furnace used in this
work and D. Emin for useful discussions. A. J. E. R. acknowledges the
Hemphill-Gilmore Endowed fellowship for financial support. J.-S. Z. was
supported by NSFMIRT DMR 1122603. Finally, we acknowledge B. A. Korgel
for help with diffuse reflectance vis-NIR spectroscopy measurements.
Work at PNNL was supported in part by the U.S. Department of Energy,
National Nuclear Security Administration, Office of Defense Nuclear
Nonproliferation R&D (NA-22). PNNL is operated by Battelle for the U.S.
DOE under Contract DE-AC05-76RLO1830.
NR 64
TC 1
Z9 1
U1 7
U2 27
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2050-7526
EI 2050-7534
J9 J MATER CHEM C
JI J. Mater. Chem. C
PY 2016
VL 4
IS 3
BP 559
EP 567
DI 10.1039/c5tc03368c
PG 9
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA7LN
UT WOS:000367985700018
ER
PT J
AU Biner, SB
Rao, WF
Zhang, YF
AF Biner, S. B.
Rao, Weifeng
Zhang, Yongfeng
TI The stability of precepitates and the role of lattice defects in Fe-1at%
Cu-1at%Ni-1at%Mn alloy: A phase-field model study
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID PRESSURE-VESSEL STEELS; KINETIC MONTE-CARLO; FE-CU ALLOY; ATOM-PROBE;
ION MICROSCOPY; ALPHA-FE; PRECIPITATION; COPPER; EMBRITTLEMENT;
IRRADIATION
AB In the first part of this study, the stability of Cu precipitates, up to 2 nm in diameter, in Fe-1at%Cu-1at%Ni-1at%Mn system was evaluated within the framework of phase-field modeling by utilizing a thermodynamic database. The implanted precipitates either in isolated or in clustered arrangements, were unstable and dissolved into the matrix. The dissolution rate decreases with increasing precipitate size; however, it is strongly influenced by the spatial arrangements of the implants and the overall alloy content. In the second part, the precipitation/segregation behavior at a circular dislocation, and square prismatic loops was parametrically studied. While precipitates formed at the dislocation loop, a significant segregation of Cu was observed at prismatic loops with either vacancy or interstitial character. Although, the both types of prismatic loops provide the spatial evolution of the stress-fields with the same absolute magnitude, the vacancy loops appears to be stronger sinks and their sink strength increases with decreasing loop size. The results clearly show the necessity of inclusion of the underlying lattice defects in the microstructure modeling of materials under the irradiation environments. Published by Elsevier B.V.
C1 [Biner, S. B.; Rao, Weifeng; Zhang, Yongfeng] Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA.
RP Biner, SB (reprint author), Idaho Natl Lab, Fuels Modeling & Simulat Dept, Idaho Falls, ID 83415 USA.
EM Bulent.Biner@inl.gov
FU LDRD at Idaho National Laboratory [INL-LDRD-13-013]
FX The authors acknowledge the funding provided for this work through a
LDRD at Idaho National Laboratory (INL-LDRD-13-013).
NR 38
TC 0
Z9 0
U1 7
U2 15
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 9
EP 16
DI 10.1016/j.jnucmat.2015.10.062
PG 8
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700002
ER
PT J
AU Skinner, CH
Capece, AM
Roszell, JP
Koel, BE
AF Skinner, C. H.
Capece, A. M.
Roszell, J. P.
Koel, B. E.
TI Spreading of lithium on a stainless steel surface at room temperature
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Lithium; Stainless steel; Surface analysis; P0500 plasma-materials
interaction; L0300 lithium; S1300 surface effects; R0900 redeposition
ID LIQUID LITHIUM; TOKAMAK; FILMS; DYNAMICS; SYSTEM; OXIDE; METAL; IRON
AB Lithium conditioned plasma facing surfaces have lowered recycling and enhanced plasma performance on many fusion devices and liquid lithium plasma facing components are under consideration for future machines. A key factor in the performance of liquid lithium components is the wetting by lithium of its container. We have observed the surface spreading of lithium from a mm-scale particle to adjacent stainless steel surfaces using a scanning Auger microprobe that has elemental discrimination. The spreading of lithium occurred at room temperature (when lithium is a solid) from one location at a speed of 0.62 mu m/day under ultrahigh vacuum conditions. Separate experiments using temperature programmed desorption (TPD) investigated bonding energetics between monolayer-scale films of lithium and stainless steel. While multilayer lithium desorption from stainless steel begins to occur just above 500 K (E-des = 1.54 eV), sub-monolayer Li desorption occurred in a TPD peak at 942 K (E-des = 2.52 eV) indicating more energetically favorable lithium-stainless steel bonding (in the absence of an oxidation layer) than lithium lithium bonding. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Skinner, C. H.; Capece, A. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Roszell, J. P.; Koel, B. E.] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08540 USA.
RP Skinner, CH (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM cskinner@pppl.gov
FU U.S. DOE [DE AC02-09CH11466, DE-SC0008598]
FX The authors thank D. Labrie, G. Smalley and A. Plasencia for technical
assistance. Support was provided by the U.S. DOE Contract Nos. DE
AC02-09CH11466. BEK acknowledges support by the U.S. DOE under Award
Number DE-SC0008598.
NR 32
TC 1
Z9 1
U1 4
U2 18
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 26
EP 30
DI 10.1016/j.jnucmat.2015.10.059
PG 5
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700004
ER
PT J
AU Hart, CA
Skinner, CH
Capece, AM
Koel, BE
AF Hart, C. A.
Skinner, C. H.
Capece, A. M.
Koel, B. E.
TI Sorption of atmospheric gases by bulk lithium metal
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
ID OXIDATION; SURFACES
AB Lithium conditioning of plasma facing components has enhanced the performance of several fusion devices. Elemental lithium will react with air during maintenance activities and with residual gases (H2O, CO, CO2) in the vacuum vessel during operations. We have used a mass balance (microgram sensitivity) to measure the mass gain of lithium samples during exposure of a similar to 1 cm(2) surface to ambient and dry synthetic air. For ambient air, we found an initial mass gain of several mg/h declining to less than 1 mg/h after an hour and decreasing by an order of magnitude after 24 h. A 9 mg sample achieved a final mass gain corresponding to complete conversion to Li2CO3 after 5 days. Exposure to dry air resulted in a 30 times lower initial rate of mass gain. The results have implications for the chemical state of lithium plasma facing surfaces and for safe handling of lithium coated components. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Hart, C. A.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA.
[Skinner, C. H.; Capece, A. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Koel, B. E.] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA.
RP Skinner, CH (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM cskinner@pppl.gov
OI Koel, Bruce/0000-0002-0032-4991
FU US DOE [DE AC02-09CH11466]; US DOE Summer Undergraduate Laboratory
Internship program; Department of Energy [DE-SCOOO859B]
FX The authors would like to thank M. Jaworski, R. Kaita, R. Majeski, S.
Rossi, J. Roszell, and B. Slavin for their assistance in this research.
The technical support of T. Holoman, D. Labrie, T. Provost, and G.
Smalley was invaluable. We thank the Department of Science Education at
PPPL, especially D. Ortiz. Support was provided by the US DOE Contract
No. DE AC02-09CH11466 and the US DOE Summer Undergraduate Laboratory
Internship program. BEK acknowledges support by the Department of Energy
under Award Number DE-SCOOO859B.
NR 12
TC 0
Z9 0
U1 3
U2 7
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 71
EP 77
DI 10.1016/j.jnucmat.2015.11.006
PG 7
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700009
ER
PT J
AU Riley, BJ
Lepry, WC
Crum, JV
AF Riley, Brian J.
Lepry, William C.
Crum, Jarrod V.
TI Solution-derived sodalite made with Si- and Ge-ethoxide precursors for
immobilizing electrorefiner salt
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Sodalite; Electrochemical waste forms; Eutectic salt; Ethoxide; Alkoxide
ID CRYSTAL-STRUCTURE; ALUMINOSILICATE SODALITES; GERMANIUM DIOXIDE; SIMPLE
SILICATES; HIGH-PRESSURE; WASTE FORMS; X-RAY; GLASS; TRANSITION; IONS
AB Chlorosodalite has the general form of Na-8(AlSiO4)(6)Cl-2 and this paper describes experiments conducted to synthesize sodalite with a solution-based approach to immobilize a simulated spent electrorefiner salt solution containing a mixture of alkali, alkaline earth, and lanthanide chlorides. The reactants used were the salt solution, NaAlO2, and either Si(OC2H5)(4) or Ge(OC2H5)(4). Additionally, seven different glass sintering aids (at loadings of 5 mass%) were evaluated as sintering aids for consolidating the as-made powders using a cold-press-and-sinter technique. This process of using alkoxide additives for the Group IV component can be used to produce large quantities of sodalite at near-room temperature as compared to a method where colloidal silica was used as the silica source. However, the small particle sizes inhibited densification during heat treatments. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Riley, Brian J.; Lepry, William C.; Crum, Jarrod V.] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Riley, BJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM brian.riley@pnnl.gov
OI Riley, Brian/0000-0002-7745-6730
FU Department of Energy Office of Nuclear Energy under the Fuel Cycle
Research and Development Program; Idaho National Laboratory through the
Korean Atomic Energy Research Institute; [DE-AC05-76RL01830]
FX Pacific Northwest National Laboratory is operated by the U.S. Department
of Energy under Contract Number DE-AC05-76RL01830. The authors thank
Jared Kroll for his help with measuring density on the NaAlP glass,
Nathan Canfield for helpful comments, and Josef Matyas for helpful
discussions. This work was conducted with funding support from the
Department of Energy Office of Nuclear Energy under the Fuel Cycle
Research and Development Program with partial support from a subcontract
from Idaho National Laboratory through the Korean Atomic Energy Research
Institute.
NR 44
TC 0
Z9 0
U1 3
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 140
EP 146
DI 10.1016/j.jnucmat.2015.11.011
PG 7
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700016
ER
PT J
AU Tallman, DJ
He, LF
Garcia-Diaz, BL
Hoffman, EN
Kohse, G
Sindelar, RL
Barsoum, MW
AF Tallman, Darin J.
He, Lingfeng
Garcia-Diaz, Brenda L.
Hoffman, Elizabeth N.
Kohse, Gordon
Sindelar, Robert L.
Barsoum, Michel W.
TI Effect of neutron irradiation on defect evolution in Ti3SiC2 and Ti2AlC
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Ti3SiC2; Ti2AlC; MAX phases; Neutron irradiation; Dislocation loops
ID ELECTRICAL-RESISTIVITY; TEMPERATURE-RANGE; MICROSTRUCTURAL EVOLUTION;
MECHANICAL-PROPERTIES; TITANIUM CARBIDE; ION IRRADIATION; MAX PHASES;
HEAVY-IONS; TI3ALC2; DAMAGE
AB Herein we report on the characterization of defects formed in polycrystalline Ti3SiC2 and Ti2AlC samples exposed to neutron irradiation up to 0.1 displacements per atom (dpa) at 350 +/- 40 degrees C or 695 +/- 25 degrees C, and up to 0.4 dpa at 350 +/- 40 degrees C. Black spots are observed in both Ti3SiC2 and Ti2AlC after irradiation to both 0.1 and 0.4 dpa at 350 degrees C. After irradiation to 0.1 dpa at 695 degrees C, small basal dislocation loops, with a Burgers vector of b = 1/2 [0001] are observed in both materials. At 9 +/- 3 and 10 +/- 5 nm, the loop diameters in the Ti3SiC2 and Ti2AlC samples, respectively, were comparable. At 1 x 10(23) loops/m(3), the dislocation loop density in Ti2AlC was approximate to 1.5 orders of magnitude greater than in Ti3SiC2, at 3 x 10(21) loops/m(3). After irradiation at 350 degrees C, extensive microcracking was observed in Ti2AlC, but not in Ti3SiC2. The room temperature electrical resistivities increased as a function of neutron dose for all samples tested, and appear to saturate in the case of Ti3SiC2. The MAX phases are unequivocally more neutron radiation tolerant than the impurity phases TiC and Al2O3. Based on these results, Ti3SiC2 appears to be a more promising MAX phase candidate for high temperature nuclear applications than Ti2AlC. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Tallman, Darin J.; Barsoum, Michel W.] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
[He, Lingfeng] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Garcia-Diaz, Brenda L.; Hoffman, Elizabeth N.; Sindelar, Robert L.] Savannah River Natl Lab, Aiken, SC 29808 USA.
[Kohse, Gordon] MIT, Nucl Reactor Lab, Cambridge, MA 02139 USA.
RP Tallman, DJ (reprint author), Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA.
EM tallman@drexel.edu; barsoumw@drexel.edu
OI He, Lingfeng/0000-0003-2763-1462
FU U.S. Department of Energy Office of Nuclear Energy University Program;
Office of Nuclear Energy under DOE Idaho Operations Office as part of an
ATR National Scientific User Facility [DE-AC07-051D14517]
FX This research is supported by the U.S. Department of Energy Office of
Nuclear Energy University Program and the Office of Nuclear Energy under
DOE Idaho Operations Office Contract DE-AC07-051D14517, as part of an
ATR National Scientific User Facility experiment. The authors would like
to thank Joanna Taylor, Jatuporn Burns, Kristi Moser-McIntire, Yaqiao
Wu, and Bryan Forsmann for their invaluable assistance at the Center for
Advanced Energy Studies. We also thank Collin Knight, Karen Wright, and
Brandon Miller for their assistance with handling and preparation of the
irradiated samples at the Materials and Fuels Complex at Idaho National
Laboratory.
NR 63
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PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 194
EP 206
DI 10.1016/j.jnucmat.2015.10.030
PG 13
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700022
ER
PT J
AU Barashev, AV
Golubov, SI
Stoller, RE
AF Barashev, A. V.
Golubov, S. I.
Stoller, R. E.
TI Theoretical investigation of microstructure evolution and deformation of
zirconium under neutron irradiation (vol 461, pg 85, 2015)
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Correction
C1 [Barashev, A. V.; Golubov, S. I.; Stoller, R. E.] ORNL, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
[Barashev, A. V.] Univ Tennessee, Dept Mat Sci & Engn, Ctr Mat Proc, Knoxville, TN 37996 USA.
RP Barashev, AV (reprint author), ORNL, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.
EM barashevav@ornl.gov
NR 1
TC 0
Z9 0
U1 3
U2 6
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 207
EP 207
DI 10.1016/j.jnucmat.2015.10.039
PG 1
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700023
ER
PT J
AU Gussev, MN
McClintock, DA
Garner, FA
AF Gussev, M. N.
McClintock, D. A.
Garner, F. A.
TI Analysis of structure and deformation behavior of AISI 316L tensile
specimens from the second operational target module at the Spallation
Neutron Source
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Spallation Neutron Source; 316L stainless steel; Neutron irradiation;
Proton irradiation; Tensile behavior; deformation wave phenomenon;
Transformation induced plasticity (TRIP); Phase transformation
ID AUSTENITIC STAINLESS-STEELS; CARBURIZED SURFACE-LAYER; HIGH-ENERGY
PROTONS; MECHANICAL-PROPERTIES; MARTENSITIC TRANSFORMATIONS; CONTAINER
MATERIALS; SINGLE-CRYSTALS; TRIP STEELS; PURE METALS; IRRADIATION
AB In an earlier publication, tensile testing was performed on specimens removed from the first two operational targets of the Spallation Neutron Source (SNS). There were several anomalous features in the results. First, some specimens had very large elongations (up to 57%) while others had significantly smaller values (10-30%). Second, there was a larger than the usual amount of data scatter in the elongation results. Third, the stress strain diagrams of nominally similar specimens spanned a wide range of behavior ranging from expected irradiation-induced hardening to varying levels. of force drop after yield point and indirect signs of "traveling deformation wave" behavior associated with strain-induced martensite formation. To investigate the cause(s) of such variable tensile behavior, several specimens from Target 2, spanning the range of observed tensile behavior, were chosen for detailed microstructural examination using electron backscatter diffraction (EBSD) analysis. It was shown that the steel employed in the construction of the target contained an unexpected bimodal grain size distribution, containing very large out-of-specification grains surrounded by "necklaces" of grains of within-specification sizes. The large grains were frequently comparable to the width of the gauge section of the tensile specimen. The propensity to form martensite during deformation was shown to be accelerated by radiation but also to be very sensitive to the relative orientation of the grains with respect to the tensile axis. Specimens having large grains in the gauge that were most favorably oriented for production of martensite strongly exhibited the traveling deformation wave phenomenon, while those specimens with less favorably oriented grains had lesser or no degree of the wave effect, thereby accounting for the observed data scatter. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Gussev, M. N.; McClintock, D. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Garner, F. A.] Radiat Effects Consulting, Richland, WA USA.
RP McClintock, DA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
EM mcclintockda@ornl.gov
OI McClintock, David/0000-0002-9292-8951
FU ORNL's Center for Nanophase Materials Sciences (CNMS) - Scientific User
Facilities Division, Office of Basic Energy Sciences, U.S. Department of
Energy
FX This research was 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.
The authors would like to thank Dr. J.T. Busby and Dr. C.M. Parish
(ORNL) for the thoughtful discussions of the experimental results, and
P.S. Tedder and A.M. Williams (ORNL) for the help with irradiated
specimen handling.
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PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 210
EP 220
DI 10.1016/j.jnucmat.2015.07.013
PG 11
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700025
ER
PT J
AU Maloy, SA
Saleh, TA
Anderoglu, O
Romero, TJ
Odette, GR
Yamamoto, T
Li, S
Cole, JI
Fielding, R
AF Maloy, S. A.
Saleh, T. A.
Anderoglu, O.
Romero, T. J.
Odette, G. R.
Yamamoto, T.
Li, S.
Cole, J. I.
Fielding, R.
TI Characterization and comparative analysis of the tensile properties of
five tempered martensitic steels and an oxide dispersion strengthened
ferritic alloy irradiated at approximate to 295 degrees C to approximate
to 6.5 dpa
SO JOURNAL OF NUCLEAR MATERIALS
LA English
DT Article
DE Ferritic; Irradiation; Cladding; Reactor
ID CLEAVAGE FRACTURE-TOUGHNESS; RESEARCH-AND-DEVELOPMENT; RECENT PROGRESS;
CONSTRAINT LOSS; MECHANICAL-PROPERTIES; HELIUM; EMBRITTLEMENT;
LOCALIZATION; TRANSITION; EVOLUTION
AB Tensile test results at 25 and 300 degrees C on five 9-12Cr tempered martensitic steels and one 14Cr oxide dispersion strengthened alloy, that were side-by side irradiated to 6.5 dpa at 295 degrees C in the Advanced Test Reactor (ATR), are reported. The engineering stress strain curves are analyzed to provide true stress-strain constitutive sigma(epsilon) laws for all of these alloys. In the irradiated condition, the sigma(epsilon) fall into categories of: strain softening, nearly perfectly plastic and strain hardening. Increases in yield stress (Delta sigma(y)) and reductions in uniform strain ductility (e(u)) are observed, where the latter can be understood in terms of the alloy's sigma(epsilon) behavior. Increases in the average sigma(epsilon) in the range of 0-10% strain are smaller than the corresponding Delta sigma(y), and vary more from alloy to alloy. The data are also analyzed to establish relations between Delta sigma(y), and coupled changes in the ultimate stresses as well as the effects of both test temperature and the unirradiated yield stress (sigma(yu)). The latter shows that higher sigma(yu) correlates with lower Delta sigma(y). In five out of six cases the effects of irradiation are generally consistent with previous observations on these alloys. However, the particular heat of the 12Cr HT-9 tempered martensitic steel in this study has a much higher e(u) than observed for earlier heats. The reasons for this improved behavior are not understood and may be microstructural in origin. However, it is noted that the new heat of HT-9, which was procured under modern quality assurance standards, has lower interstitial nitrogen than previous heats. Notably lower interstitial solute contents correlate with improved ductility and homogenous deformation in broadly similar steels. Published by Elsevier B.V.
C1 [Maloy, S. A.; Anderoglu, O.] Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA.
[Saleh, T. A.] Los Alamos Natl Lab, MST 16, Los Alamos, NM 87545 USA.
[Romero, T. J.] Los Alamos Natl Lab, C IIAC, Los Alamos, NM 87545 USA.
[Odette, G. R.; Yamamoto, T.; Li, S.] Univ Calif Santa Barbara, Dept Mech Engn, Santa Barbara, CA 93106 USA.
[Cole, J. I.] Idaho Natl Lab, Nucl Sci User Facil, Idaho Falls, ID 83415 USA.
[Fielding, R.] Idaho Natl Lab, Fuel Fabricat & Characterizat Dept, Idaho Falls, ID 83415 USA.
RP Maloy, SA (reprint author), Los Alamos Natl Lab, MST 8, POB 1663, Los Alamos, NM 87545 USA.
EM maloy@lanl.gov
RI Maloy, Stuart/A-8672-2009
OI Maloy, Stuart/0000-0001-8037-1319
FU Advanced Fuels Campaign of the Department of Energy's (DOE) Fuel Cycle
Research and Development Program; DOE NEUP [NU-11-3150]; Office of
Fusion Energy Science [DE-FG03-94ER54275]
FX This work at LANL was funded under the Advanced Fuels Campaign of the
Department of Energy's (DOE) Fuel Cycle Research and Development
Program. The work at UCSB was funded by DOE NEUP (NU-11-3150) and Office
of Fusion Energy Science (DE-FG03-94ER54275) grants. The UCSB ATR-1
irradiations were carried out as part of the National Scientific Users
Facility program, with the assistance of a large number of outstanding
engineers. The help of Colin Knight in arranging shipment of the
specimens from INL to LANL is greatly appreciated. Special thanks also
go to UCSB staff members Doug Klingensmith and David Gragg who played
the key roles in building the experiment and former PhD student, Dr.
Nicholas Cunningham, who carried out the thermal design analysis.
NR 39
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U1 9
U2 23
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0022-3115
EI 1873-4820
J9 J NUCL MATER
JI J. Nucl. Mater.
PD JAN
PY 2016
VL 468
BP 232
EP 239
DI 10.1016/j.jnucmat.2015.07.039
PG 8
WC Materials Science, Multidisciplinary; Nuclear Science & Technology
SC Materials Science; Nuclear Science & Technology
GA DA4HT
UT WOS:000367761700028
ER
PT J
AU Sun, XQ
Luo, HM
Mahurin, SM
Liu, R
Hou, XS
Dai, S
AF Sun Xiaoqi
Luo Huimin
Mahurin, Shannon M.
Liu Rui
Hou Xisen
Dai Sheng
TI Adsorption of rare earth ions using carbonized polydopamine nano carbon
shells
SO JOURNAL OF RARE EARTHS
LA English
DT Article
DE carbon shells; rare earths; adsorption; separation
ID HIERARCHICALLY IMPRINTED SORBENTS; METAL-IONS; MESOPOROUS SILICA;
LIQUID-EXTRACTION; AQUEOUS-SOLUTIONS; SEPARATION; RESIN; CHROMATOGRAPHY;
COMPOSITE; DOPAMINE
AB Herein we reported the structure effects of carbon nano-shells prepared by the carbonization of polydopamine for the adsorption of rare earth elements (REEs) for the first time. Solid carbon spheres, 60 nm carbon shells and 500 nm carbon shells were prepared and evaluated for adsorption and desorption of REEs. The adsorption performance of carbon nano-shells for REEs was far superior to the solid carbon spheres. In addition, the effect of acidity on the adsorption and desorption properties was discussed. The good adsorption performance of the carbon nano-shells could be attributed to their pore structure, specific surface area, and the presence of both amine and carbonyl groups from the grafted dopamine.
C1 [Sun Xiaoqi; Mahurin, Shannon M.; Liu Rui; Hou Xisen; Dai Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
[Luo Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA.
[Dai Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37916 USA.
[Sun Xiaoqi] Chinese Acad Sci, Haixi Inst, Xiamen Inst Rare Earth Mat, Xiamen 361021, Peoples R China.
RP Sun, XQ (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA.
EM xqsun@fjirsm.ac.cn; luoh@ornl.gov
RI Dai, Sheng/K-8411-2015
OI Dai, Sheng/0000-0002-8046-3931
FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of
Chemical Sciences, Geosciences, and Biosciences
FX Project supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, Division of Chemical Sciences, Geosciences, and
Biosciences
NR 36
TC 3
Z9 3
U1 22
U2 59
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1002-0721
J9 J RARE EARTH
JI J. Rare Earths
PD JAN
PY 2016
VL 34
IS 1
BP 77
EP 82
DI 10.1016/S1002-0721(14)60582-2
PG 6
WC Chemistry, Applied
SC Chemistry
GA DA8EP
UT WOS:000368038200013
ER
PT J
AU Diaz, A
Malkova, B
Holler, M
Guizar-Sicairos, M
Lima, E
Panneels, V
Pigino, G
Bittermann, AG
Wettstein, L
Tomizaki, T
Bunk, O
Schertler, G
Ishikawa, T
Wepf, R
Menzel, A
AF Diaz, Ana
Malkova, Barbora
Holler, Mirko
Guizar-Sicairos, Manuel
Lima, Enju
Panneels, Valerie
Pigino, Gaia
Bittermann, Anne Greet
Wettstein, Larissa
Tomizaki, Takashi
Bunk, Oliver
Schertler, Gebhard
Ishikawa, Takashi
Wepf, Roger
Menzel, Andreas
TI Three-dimensional mass density mapping of cellular ultrastructure by
ptychographic X-ray nanotomography (vol 192, pg 461, 2015)
SO JOURNAL OF STRUCTURAL BIOLOGY
LA English
DT Correction
C1 [Diaz, Ana; Malkova, Barbora; Holler, Mirko; Guizar-Sicairos, Manuel; Panneels, Valerie; Wettstein, Larissa; Tomizaki, Takashi; Bunk, Oliver; Schertler, Gebhard; Ishikawa, Takashi; Menzel, Andreas] Paul Scherrer Inst, CH-5232 Villigen, Switzerland.
[Lima, Enju] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Pigino, Gaia] Max Planck Inst Mol Cell Biol & Genet, D-01307 Dresden, Germany.
[Bittermann, Anne Greet; Wepf, Roger] ETH, Sci Ctr Opt & Electron Microscopy, CH-8093 Zurich, Switzerland.
RP Diaz, A (reprint author), Paul Scherrer Inst, CH-5232 Villigen, Switzerland.
EM ana.diaz@psi.ch
RI Guizar-Sicairos, Manuel/I-4899-2013; Diaz, Ana/I-4139-2013; Menzel,
Andreas/C-4388-2012; Bunk, Oliver/B-7602-2013; Holler,
Mirko/I-3962-2014; Pigino, Gaia/C-7928-2017; Ishikawa,
Takashi/E-5023-2017
OI Diaz, Ana/0000-0003-0479-4752; Menzel, Andreas/0000-0002-0489-609X;
Bunk, Oliver/0000-0001-6563-4053; Pigino, Gaia/0000-0002-2295-9568;
Ishikawa, Takashi/0000-0002-1976-7477
NR 1
TC 0
Z9 0
U1 2
U2 5
PU ACADEMIC PRESS INC ELSEVIER SCIENCE
PI SAN DIEGO
PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA
SN 1047-8477
EI 1095-8657
J9 J STRUCT BIOL
JI J. Struct. Biol.
PD JAN
PY 2016
VL 193
IS 1
BP 83
EP 83
DI 10.1016/j.jsb.2015.12.003
PG 1
WC Biochemistry & Molecular Biology; Biophysics; Cell Biology
SC Biochemistry & Molecular Biology; Biophysics; Cell Biology
GA DB2DE
UT WOS:000368317700009
ER
PT J
AU Shoulders, WT
Bizarri, G
Bourret, E
Gaume, RM
AF Shoulders, W. Taylor
Bizarri, Gregory
Bourret, Edith
Gaume, Romain M.
TI Influence of Process Parameters on the Morphology of Spray-Dried BaCl2
Powders
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID SPHERICAL-PARTICLES; SINGLE-CRYSTAL; EVAPORATION; DROPLET; KINETICS
AB Spray-drying is an effective method for producing powder aggregates with controlled size and morphology. Here, we report on a systematic study aimed at determining how spray-drying parameters such as nozzle temperature, gas flow, salt concentration and solution feed rate, influence the characteristics of BaCl2 granules prepared from aqueous solutions. We correlate the granule characteristics to these conditions through the use of processing maps and modeling. It is found that well-dispersed, high density and spherical aggregates, which are favorable for subsequent powder compaction and sintering, can be obtained within a limited range of processing conditions.
C1 [Shoulders, W. Taylor; Gaume, Romain M.] Univ Cent Florida, CREOL, Coll Opt & Photon, Orlando, FL 32816 USA.
[Bizarri, Gregory; Bourret, Edith] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA USA.
[Gaume, Romain M.] Univ Cent Florida, NanoSci Technol Ctr, Orlando, FL 32816 USA.
RP Shoulders, WT (reprint author), Univ Cent Florida, CREOL, Coll Opt & Photon, Orlando, FL 32816 USA.
EM tshoulders@knights.ucf.edu
FU U.S. Department of Energy/NNSA/DNN RD; Lawrence Berkeley National
Laboratory [AC02-05CH11231]
FX The authors acknowledge the work of Baochi Doan. This work has been
supported by the U.S. Department of Energy/NNSA/DNN R&D and carried out
at the University of Central Florida and the Lawrence Berkeley National
Laboratory, under Contract NO. AC02-05CH11231. This support does not
constitute an express or implied endorsement on the part of the
Government.
NR 40
TC 0
Z9 0
U1 1
U2 8
PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0002-7820
EI 1551-2916
J9 J AM CERAM SOC
JI J. Am. Ceram. Soc.
PD JAN
PY 2016
VL 99
IS 1
BP 20
EP 26
DI 10.1111/jace.13869
PG 7
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800005
ER
PT J
AU Hunault, M
Bauchau, F
Loisel, C
Herold, M
Galoisy, L
Newville, M
Calas, G
AF Hunault, Myrtille
Bauchau, Fanny
Loisel, Claudine
Herold, Michel
Galoisy, Laurence
Newville, Matthew
Calas, Georges
TI Spectroscopic Investigation of the Coloration and Fabrication Conditions
of Medieval Blue Glasses
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID TRANSITION-METAL IONS; SILICATE-GLASSES; PRE-EDGE; XANES SPECTROSCOPY;
ABSORPTION SPECTROSCOPY; OPTICAL SPECTROSCOPY; REDOX-REACTIONS; ANCIENT
GLASS; WINDOW GLASS; MELTS
AB Potash- and soda-lime-stained glasses from the 12th-13th centuries, blue-colored by cobalt, have been investigated by Mn, Fe, and Cu K-edge X-ray and optical absorption spectroscopies in order to determine the oxidation state of these elements and their impact on the blue color. Remelting these historical glasses in air at 1200 degrees C, the estimated temperature of medieval furnaces, revealed that these four glasses are more reduced before remelting. This favors Mn as weakly absorbing Mn2+, Fe as Fe2+ and Cu as colorless Cu+. Therefore Fe2+ is the second blue chromophore and copper was not intentionally used by glassmakers to obtain a blue color. A colorimetric analysis indicates that these specific melting conditions have a limited effect on the blue color of these glasses. Based on the spectroscopic determination of the redox state of Fe, Mn, and Cu, we estimate the oxygen partial pressure in medieval furnaces to be 10(-7)-10(-9) and 10(-5)bar for the potash- and soda-lime samples, respectively. The comparison with previous results enables to prove the evolution of furnace technology over centuries.
C1 [Hunault, Myrtille; Bauchau, Fanny; Loisel, Claudine] CNRS, Lab Rech Monuments Hist, CRC,Minist Culture & Commun, Museum Natl Hist Naturelle,USR 3224, F-77420 Champs Sur Marne, France.
[Hunault, Myrtille; Galoisy, Laurence; Calas, Georges] Univ Paris 06, Inst Mineral Phys Mat & Cosmochim, CNRS, UMR 7590, F-75005 Paris, France.
[Herold, Michel] Sorbonne Univ, Ctr Andre Chastel, Minist Culture & Commun, CNRS,UMR 8150, F-75002 Paris, France.
[Newville, Matthew] Univ Chicago, Consortium Adv Radiat Sci, Adv Photon Source, GSECARS, Argonne, IL 60439 USA.
RP Hunault, M (reprint author), CNRS, Lab Rech Monuments Hist, CRC,Minist Culture & Commun, Museum Natl Hist Naturelle,USR 3224, F-77420 Champs Sur Marne, France.
EM myrtille.hunault@impmc.upmc.fr
RI Calas, Georges/B-2445-2012;
OI Calas, Georges/0000-0003-0525-5734; Hunault,
Myrtille/0000-0002-3754-8630
FU Convergence Project VITRAUX of Sorbonne Universite [SU-14-R-ScPC-15-2];
National Science Foundation-Earth Sciences [EAR-1128799]; Department of
Energy-Geosciences [DE-FG02-94ER14466]; U. S. Department of Energy,
Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX This work is part of the Convergence Project VITRAUX (SU-14-R-ScPC-15-2)
of Sorbonne Universite. Portions of this work were performed at
GeoSoilEnviroCARS (Sector 13), Advanced Photon Source, Argonne National
Laboratory. GeoSoilEnviroCARS is supported by the National Science
Foundation-Earth Sciences (EAR-1128799) and Department of
Energy-Geosciences (DE-FG02-94ER14466). 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. The review from anonymous referees greatly
contributed to improve this paper.
NR 55
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PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0002-7820
EI 1551-2916
J9 J AM CERAM SOC
JI J. Am. Ceram. Soc.
PD JAN
PY 2016
VL 99
IS 1
BP 89
EP 97
DI 10.1111/jace.13783
PG 9
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800015
ER
PT J
AU Hilliard, Z
Hrma, P
AF Hilliard, Zachary
Hrma, Pavel
TI A Method for Determining Bulk Density, Material Density, and Porosity
ofMelter Feed During Nuclear Waste Vitrification
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID COLD-CAP; MOLTEN GLASS; MELTER FEED; BATCH; CONVERSION; DISSOLUTION;
MODEL; SILICA; TEMPERATURE; PARTICLES
AB Glassmelting efficiency largely depends on heat transfer to reacting glass batch (melter feed), which in turn is influenced by the bulk density ((b)) and porosity (phi) of the reacting feed as functions of temperature (T). Neither (b)(T) nor phi(T) functions are readily accessible from direct measurements. For the determination of (b), we monitored the profile area of heated feed pellets and calculated the pellet volume using numerical integration. For the determination of phi, we measured the material density of feeds quenched at various stages of conversion via pycnometry and then computed the feed density at heat-treatment temperature using thermal expansion values of basic feed constituents.
C1 [Hilliard, Zachary; Hrma, Pavel] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hilliard, Z (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM zachary.hilliard@pnnl.gov
FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of
Energy's Waste Treatment and Immobilization Plant Federal Project Office
FX Pacific Northwest National Laboratory is operated for the U.S.
Department of Energy by Battelle under Contract DE-AC05-76RL01830. This
work was supported by the U.S. Department of Energy's Waste Treatment
and Immobilization Plant Federal Project Office under the direction of
Dr. Albert A. Kruger. The authors thank David Pierce and Brad Vanderveer
for data collection and Carmen Rodriguez for density measurement.
NR 35
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PU WILEY-BLACKWELL
PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0002-7820
EI 1551-2916
J9 J AM CERAM SOC
JI J. Am. Ceram. Soc.
PD JAN
PY 2016
VL 99
IS 1
BP 98
EP 105
DI 10.1111/jace.13919
PG 8
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800016
ER
PT J
AU Ramasamy, M
Baumann, S
Palisaitis, J
Schulze-Kuppers, F
Balaguer, M
Kim, D
Meulenberg, WA
Mayer, J
Bhave, R
Guillon, O
Bram, M
AF Ramasamy, Madhumidha
Baumann, Stefan
Palisaitis, Justinas
Schulze-Kueppers, Falk
Balaguer, Maria
Kim, Daejin
Meulenberg, Wilhelm A.
Mayer, Jochim
Bhave, Ramesh
Guillon, Olivier
Bram, Martin
TI Influence of Microstructure and Surface Activation of Dual-Phase
Membrane Ce0.8Gd0.2O2--FeCo2O4 on Oxygen Permeation
SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY
LA English
DT Article
ID TRANSPORT PROPERTIES; PHYSICAL-PROPERTIES; CERAMIC MEMBRANES; CO2
CAPTURE; SEPARATION; CONDUCTOR; CATHODES; CERIA; FLUX; AIR
AB Dual-phase oxygen transport membranes are fast-growing research interest for application in oxyfuel combustion process. One such potential candidate is CGO-FCO (60wt% Ce0.8Gd0.2O2--40wt% FeCo2O4) identified to provide good oxygen permeation flux with substantial stability in harsh atmosphere. Dense CGO-FCO membranes of 1mm thickness were fabricated by sintering dry pellets pressed from powders synthesized by one-pot method (modified Pechini process) at 1200 degrees C for 10h. Microstructure analysis indicates presence of a third orthorhombic perovskite phase in the sintered composite. It was also identified that the spinel phase tends to form an oxygen deficient phase at the grain boundary of spinel and CGO phases. Surface exchange limitation of the membranes was overcome by La0.6Sr0.4Co0.2Fe0.8O3- (LSCF) porous layer coating over the composite. The oxygen permeation flux of the CGO-FCO screen printed with a porous layer of 10mthick LSCF is 0.11mL/cm(2) per minute at 850 degrees C with argon as sweep and air as feed gas at the rates of 50 and 250mL/min.
C1 [Ramasamy, Madhumidha; Baumann, Stefan; Schulze-Kueppers, Falk; Balaguer, Maria; Meulenberg, Wilhelm A.; Guillon, Olivier; Bram, Martin] Forschungszentrum Julich GmbH, Inst Energy & Climate Res Mat Synth & Proc IEK 1, D-52425 Julich, Germany.
[Ramasamy, Madhumidha; Baumann, Stefan; Palisaitis, Justinas; Schulze-Kueppers, Falk; Balaguer, Maria; Meulenberg, Wilhelm A.; Mayer, Jochim; Guillon, Olivier; Bram, Martin] JARA Energy, Julich Aachen Res Alliance, D-52425 Julich, Germany.
[Palisaitis, Justinas; Kim, Daejin; Mayer, Jochim] Forschungszentrum Julich GmbH, Ernst Ruska Ctr ER C Microscopy & Spect Elect, D-52425 Julich, Germany.
[Bhave, Ramesh] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Ramasamy, M (reprint author), Forschungszentrum Julich GmbH, Inst Energy & Climate Res Mat Synth & Proc IEK 1, D-52425 Julich, Germany.
EM m.ramasamy@fz-juelich.de
RI Balaguer , Maria/F-8558-2016; Schulze-Kuppers, Falk/Q-6286-2016;
Baumann, Stefan/A-8791-2017
OI Balaguer , Maria/0000-0002-7098-9235; Schulze-Kuppers,
Falk/0000-0001-6985-3835; Baumann, Stefan/0000-0002-7302-7103
FU German Federal Ministry of Education and Research (BMBF); European
Commission [608524]
FX This work is supported by the German Federal Ministry of Education and
Research (BMBF) and the European Commission via the FP7 project GREEN-CC
(Grant Agreement no. 608524). The authors thank Dr. D. Sebold and Dr. J.
Sohn for SEM and XRD analyses, respectively and Mr. S. Heinz for his
technical assistance in sample preparation (all Forschungszentrum
Juelich GmbH, IEK-1).
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PI HOBOKEN
PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA
SN 0002-7820
EI 1551-2916
J9 J AM CERAM SOC
JI J. Am. Ceram. Soc.
PD JAN
PY 2016
VL 99
IS 1
BP 349
EP 355
DI 10.1111/jace.13938
PG 7
WC Materials Science, Ceramics
SC Materials Science
GA DA8SQ
UT WOS:000368076800050
ER
PT J
AU Finnell, J
AF Finnell, Joshua
TI Black Deutschland
SO LIBRARY JOURNAL
LA English
DT Book Review
C1 [Finnell, Joshua] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Finnell, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
NR 1
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PU REED BUSINESS INFORMATION
PI NEW YORK
PA 360 PARK AVENUE SOUTH, NEW YORK, NY 10010 USA
SN 0363-0277
J9 LIBR J
JI Libr. J.
PD JAN
PY 2016
VL 141
IS 1
BP 98
EP 98
PG 1
WC Information Science & Library Science
SC Information Science & Library Science
GA DA5SN
UT WOS:000367862900133
ER
PT J
AU Chiu, I
Mohr, J
McDonald, M
Bocquet, S
Ashby, MLN
Bayliss, M
Benson, BA
Bleem, LE
Brodwin, M
Desai, S
Dietrich, JP
Forman, WR
Gangkofner, C
Gonzalez, AH
Hennig, C
Liu, J
Reichardt, CL
Saro, A
Stalder, B
Stanford, SA
Song, J
Schrabback, T
Suhada, R
Strazzullo, V
Zenteno, A
AF Chiu, I.
Mohr, J.
McDonald, M.
Bocquet, S.
Ashby, M. L. N.
Bayliss, M.
Benson, B. A.
Bleem, L. E.
Brodwin, M.
Desai, S.
Dietrich, J. P.
Forman, W. R.
Gangkofner, C.
Gonzalez, A. H.
Hennig, C.
Liu, J.
Reichardt, C. L.
Saro, A.
Stalder, B.
Stanford, S. A.
Song, J.
Schrabback, T.
Suhada, R.
Strazzullo, V.
Zenteno, A.
TI Baryon content of massive galaxy clusters at 0.57 < z < 1.33
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE Galaxy: evolution; galaxies: clusters: general; large-scale structure of
Universe; X-rays: galaxies: clusters
ID SOUTH-POLE TELESCOPE; ATACAMA COSMOLOGY TELESCOPE; SPT-SZ SURVEY;
ZELDOVICH EFFECT SURVEY; DIGITAL SKY SURVEY; 720 SQUARE DEGREES; ACT-CL
J0102-4915; K-BAND PROPERTIES; SIMILAR-TO 1; LUMINOSITY FUNCTION
AB We study the stellar, brightest cluster galaxy (BCG) and intracluster medium (ICM) masses of 14 South Pole Telescope (SPT) selected galaxy clusters with median redshift z = 0.9 and mass M-500 = 6 x 10(14) M-circle dot. We estimate stellar masses for each cluster and BCG using six photometric bands, the ICM mass using X-ray observations and the virial masses using the SPT Sunyaev-Zel'dovich effect signature. At z = 0.9, the BCG mass M-*(BCG) constitutes 0.12 +/- 0.01 per cent of the halo mass for a 6 x 10(14) M-circle dot cluster, and this fraction falls as M-500(-0.58 +/- 0.07). The cluster stellar mass function has a characteristic mass M-0 = 10(11.0 +/- 0.1) M-circle dot, and the number of galaxies per unit mass in clusters is larger than in the field by a factor of 1.65 +/- 0.20. We combine our SPT sample with previously published samples at low redshift and correct to a common initial mass function and for systematic virial mass differences. We then explore mass and redshift trends in the stellar fraction f(*), the ICM fraction f(ICM), the collapsed baryon fraction f(c) and the baryon fraction f(b). At a pivot mass of 6 x 10(14) M-circle dot and redshift z = 0.9, the characteristic values are f(*) = 1.1 +/- 0.1 per cent, f(ICM) = 9.6 +/- 0.5 per cent, f(c) = 10.7 +/- 1.1 per cent and f(b) = 10.7 +/- 0.6 per cent. These fractions all vary with cluster mass at high significance, with higher mass clusters having lower f(*) and f(c) and higher f(ICM) and f(b). When accounting for a 15 per cent systematic virial mass uncertainty, there is no statistically significant redshift trend at fixed mass. Our results support the scenario where clusters grow through accretion from subclusters (higher f(*), lower f(ICM)) and the field (lower f(*), higher f(ICM)), balancing to keep f(*) and f(ICM) approximately constant since z similar to 0.9.
C1 [Chiu, I.; Mohr, J.; Bocquet, S.; Desai, S.; Dietrich, J. P.; Gangkofner, C.; Hennig, C.; Liu, J.; Saro, A.; Suhada, R.; Strazzullo, V.; Zenteno, A.] Univ Munich, Dept Phys, D-81679 Munich, Germany.
[Chiu, I.; Mohr, J.; Bocquet, S.; Desai, S.; Dietrich, J. P.; Gangkofner, C.; Hennig, C.; Liu, J.; Saro, A.] Excellence Cluster Universe, D-85748 Garching, Germany.
[Mohr, J.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany.
[McDonald, M.] MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA.
[Ashby, M. L. N.; Bayliss, M.; Forman, W. R.; Stalder, B.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.
[Bayliss, M.] Harvard Univ, Dept Phys, Cambridge, MA 02138 USA.
[Benson, B. A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
[Benson, B. A.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA.
[Benson, B. A.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA.
[Bleem, L. E.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA.
[Bleem, L. E.] Argonne Natl Lab, Argonne, IL 60439 USA.
[Brodwin, M.] Univ Missouri, Dept Phys & Astron, Kansas City, MO 64110 USA.
[Gonzalez, A. H.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA.
[Reichardt, C. L.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia.
[Stalder, B.] Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA.
[Stanford, S. A.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA.
[Stanford, S. A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA.
[Song, J.] Korea Astron & Space Sci Inst, Daejeon 305348, South Korea.
[Schrabback, T.] Argelander Inst Astron, D-53121 Bonn, Germany.
[Zenteno, A.] Cerro Tololo Interamer Observ, La Serena, Chile.
RP Chiu, I (reprint author), Univ Munich, Dept Phys, Scheinerstr 1, D-81679 Munich, Germany.
EM inonchiu@usm.lmu.de
OI Dietrich, Jorg/0000-0002-8134-9591; Reichardt,
Christian/0000-0003-2226-9169; Stern, Corvin/0000-0003-4406-6127;
Forman, William/0000-0002-9478-1682
FU VLT programmes [088.A-0889, 089.A-0824]; DFG Cluster of Excellence
'Origin and Structure of the Universe'; Transregio programme TR33 'The
Dark Universe'; Fermi Research Alliance, LLC [De-AC02-07CH11359]; United
States Department of Energy; NSF [AST-1009012, AST-1009649,
MRI-0723073]; German Federal Ministry of Economics and Technology (BMWi)
[50 OR 1210]; National Science Foundation [ANT-0638937]; NSF Physics
Frontier Center [PHY-0114422]; Kavli Foundation; Gordon and Betty Moore
Foundation; [C18-12246]; [C19-12447]; [60099]; [70053]; [80012]
FX We acknowledge the support by the DFG Cluster of Excellence 'Origin and
Structure of the Universe' and the Transregio programme TR33 'The Dark
Universe'. The calculations have been carried out on the computing
facilities of the Computational Center for Particle and Astrophysics
(C2PAP) and of the Leibniz Supercomputer Center (LRZ). BB is supported
by the Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359
with the United States Department of Energy. BS acknowledges the support
of the NSF grants at Harvard and SAO (AST-1009012, AST-1009649 and
MRI-0723073). TS acknowledges the support from the German Federal
Ministry of Economics and Technology (BMWi) provided through DLR under
project 50 OR 1210. The South Pole Telescope is supported by the
National Science Foundation through grant ANT-0638937. Partial support
is also provided by the NSF Physics Frontier Center grant PHY-0114422 to
the Kavli Institute of Cosmological Physics at the University of
Chicago, the Kavli Foundation and the Gordon and Betty Moore
Foundation.; Optical imaging data from the VLT programmes 088.A-0889 and
089.A-0824, HST imaging data from programmes C18-12246 and C19-12447,
and Spitzer Space Telescope imaging from programmes 60099, 70053 and
80012 enable the SED fitting in this analysis. X-ray data obtained with
Chandra X-ray Observatory programmes and XMM-Newton Observatory
programme 067501 enable the ICM mass measurements. The SPT survey
programme SPT-SZ enabled the discovery of these high-redshift clusters
and subsequent analyses have enabled virial mass estimates of these
systems. Optical spectroscopic data from VLT programmes 086.A-0741 and
286.A-5021 and Gemini programme GS-2009B-Q-16, GS-2011A-C-3 and
GS-2011B-C-6 were included in this work. Additional spectroscopic data
were obtained with the 6.5 m Magellan Telescopes.
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PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN 1
PY 2016
VL 455
IS 1
BP 258
EP 275
DI 10.1093/mnras/stv2303
PG 18
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DA7TB
UT WOS:000368005900043
ER
PT J
AU Scrimgeour, MI
Davis, TM
Blake, C
Staveley-Smith, L
Magoulas, C
Springob, CM
Beutler, F
Colless, M
Johnson, A
Jones, DH
Koda, J
Lucey, JR
Ma, YZ
Mould, J
Poole, GB
AF Scrimgeour, Morag I.
Davis, Tamara M.
Blake, Chris
Staveley-Smith, Lister
Magoulas, Christina
Springob, Christopher M.
Beutler, Florian
Colless, Matthew
Johnson, Andrew
Jones, D. Heath
Koda, Jun
Lucey, John R.
Ma, Yin-Zhe
Mould, Jeremy
Poole, Gregory B.
TI The 6dF Galaxy Survey: bulk flows on 50-70 h(-1) Mpc scales
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE surveys; galaxies: kinematics and dynamics; galaxies: statistics;
cosmology: observations; large-scale structure of Universe
ID PECULIAR VELOCITY-FIELD; SKY REDSHIFT SURVEY; LOCAL GROUP; DIPOLE
ANISOTROPY; POWER SPECTRUM; IA SUPERNOVAE; COSMIC FLOWS; LAMBDA-CDM;
COSMOLOGICAL PARAMETERS; FUNDAMENTAL PLANE
AB We measure the bulk flow of the local Universe using the 6dF Galaxy Survey peculiar velocity sample (6dFGSv), the largest and most homogeneous peculiar velocity sample to date. 6dFGSv is a Fundamental Plane sample of similar to 10(4) peculiar velocities covering the whole Southern hemisphere for galactic latitude vertical bar b vertical bar > 10 degrees, out to redshift z = 0.0537. We apply the 'minimum variance' bulk flow weighting method, which allows us to make a robust measurement of the bulk flow on scales of 50 and 70 h(-1) Mpc. We investigate and correct for potential bias due to the lognormal velocity uncertainties, and verify our method by constructing A cold dark matter (ACDM) 6dFGSv mock catalogues incorporating the survey selection function. For a hemisphere of radius 50 h(-1) Mpc we find a bulk flow amplitude of U = 248 +/- 58 km s(-1) in the direction (l, b) = (318 degrees +/- 20 degrees, 40 degrees +/- 13 degrees), and for 70 h(-1) Mpc we find U = 243 +/- 58 km s(-1), in the same direction. Our measurement gives us a constraint on sigma(8) of 1.01(-0.58)(+1.07). Our results are in agreement with other recent measurements of the direction of the bulk flow, and our measured amplitude is consistent with a ACDM prediction.
C1 [Scrimgeour, Morag I.] Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada.
[Scrimgeour, Morag I.] Perimeter Inst Theoret Phys, Waterloo, ON N2L 2Y5, Canada.
[Scrimgeour, Morag I.; Staveley-Smith, Lister; Springob, Christopher M.] Univ Western Australia, Int Ctr Radio Astron Res, Crawley, WA 6009, Australia.
[Scrimgeour, Morag I.; Staveley-Smith, Lister; Springob, Christopher M.; Koda, Jun; Mould, Jeremy] ARC Ctr Excellence All Sky Astrophys CAASTRO, Sydney, NSW, Australia.
[Davis, Tamara M.] Univ Queensland, Sch Math & Phys, Brisbane, Qld 4072, Australia.
[Blake, Chris; Johnson, Andrew; Koda, Jun; Mould, Jeremy] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia.
[Magoulas, Christina] Univ Cape Town, Dept Astron, ZA-7701 Rondebosch, South Africa.
[Magoulas, Christina; Poole, Gregory B.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia.
[Magoulas, Christina] Australian Astron Observ, N Ryde, NSW 1670, Australia.
[Beutler, Florian] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Colless, Matthew] Australian Natl Univ, Res Sch Astron & Astrophys, Canberra, ACT 2611, Australia.
[Jones, D. Heath] Macquarie Univ, Dept Phys & Astron, Sydney, NSW 2109, Australia.
[Jones, D. Heath] Monash Univ, Sch Phys, Clayton, Vic 3800, Australia.
[Lucey, John R.] Univ Durham, Dept Phys, Durham DH1 3LE, England.
[Lucey, John R.] Univ KwaZulu Natal, Sch Chem & Phys, Astrophys & Cosmol Res Unit, Durban, South Africa.
RP Scrimgeour, MI (reprint author), Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada.
EM morag.astro@gmail.com
RI Davis, Tamara/A-4280-2008;
OI Davis, Tamara/0000-0002-4213-8783; Beutler, Florian/0000-0003-0467-5438;
Colless, Matthew/0000-0001-9552-8075
FU Jean Rogerson Scholarship; UWA Top-up Scholarship from University of
Western Australia; CSIRO Malcolm McIntosh Lecture bankmecu scholarship;
Astronomical Society of Australia; Australian Research Council
[FT110100639, FT100100595]; [CE110001020]
FX MIS acknowledges financial support from a Jean Rogerson Scholarship, a
UWA Top-up Scholarship from the University of Western Australia, and a
CSIRO Malcolm McIntosh Lecture bankmecu scholarship. MIS thanks the
Astronomical Society of Australia for providing financial support via a
Student Travel Award, which enabled furthered collaboration on this
paper, and also Lawrence Berkeley National Laboratory for hosting her
during part of this work. CB and TMD acknowledge the support of the
Australian Research Council through the award of Future Fellowships,
grants FT110100639 and FT100100595, respectively. The Centre for All-sky
Astrophysics is an Australian Research Council Centre of Excellence,
funded by grant CE110001020.
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PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN 1
PY 2016
VL 455
IS 1
BP 386
EP 401
DI 10.1093/mnras/stv2146
PG 16
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DA7TB
UT WOS:000368005900053
ER
PT J
AU Ukwatta, TN
Wozniak, PR
AF Ukwatta, T. N.
Wozniak, P. R.
TI Investigation of redshift- and duration-dependent clustering of
gamma-ray bursts
SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY
LA English
DT Article
DE gamma-ray burst: general
ID SKY DISTRIBUTION; BATSE; ANISOTROPY; CATALOG; GRB
AB Gamma-ray bursts (GRBs) are detectable out to very large distances and as such are potentially powerful cosmological probes. Historically, the angular distribution of GRBs provided important information about their origin and physical properties. As a general population, GRBs are distributed isotropically across the sky. However, there are published reports that once binned by duration or redshift, GRBs display significant clustering. We have studied the redshift- and duration-dependent clustering of GRBs using proximity measures and kernel density estimation. Utilizing bursts detected by Burst and Transient Source Experiment, Fermi/gamma-ray burst monitor, and Swift/Burst Alert Telescope, we found marginal evidence for clustering in very short duration GRBs lasting less than 100 ms. Our analysis provides little evidence for significant redshift-dependent clustering of GRBs.
C1 [Ukwatta, T. N.; Wozniak, P. R.] Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87544 USA.
RP Ukwatta, TN (reprint author), Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87544 USA.
EM tilan.ukwatta@gmail.com; wozniak@lanl.gov
OI Wozniak, Przemyslaw/0000-0002-9919-3310
FU US Department of Energy; Laboratory Directed Research and Development
programme at the Los Alamos National Laboratory
FX This work was funded by the US Department of Energy. TNU acknowledges
support from the Laboratory Directed Research and Development programme
at the Los Alamos National Laboratory. We thank Brenda Dingus, Pat
Harding, Krista Smith and Kevin Hurley for useful conversations on the
analysis. We also thank the referee Jean-Luc Atteia for comments that
significantly improved the paper.
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PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0035-8711
EI 1365-2966
J9 MON NOT R ASTRON SOC
JI Mon. Not. Roy. Astron. Soc.
PD JAN 1
PY 2016
VL 455
IS 1
BP 703
EP 711
DI 10.1093/mnras/stv2350
PG 9
WC Astronomy & Astrophysics
SC Astronomy & Astrophysics
GA DA7TB
UT WOS:000368005900081
ER
PT J
AU Larson, DJ
Prosa, TJ
Perea, DE
Inoue, K
Mangelinck, D
AF Larson, D. J.
Prosa, T. J.
Perea, D. E.
Inoue, K.
Mangelinck, D.
TI Atom probe tomography of nanoscale electronic materials
SO MRS BULLETIN
LA English
DT Article
ID DIFFUSION; NANOPARTICLES; NANOWIRES; FINFET
AB As the characteristic length scale of electronic devices shrinks, so does the required scale for measurement techniques to provide useful feedback during development and fabrication. The current capabilities of atom probe tomography (APT), such as detecting a low number of dopant atoms in nanoscale devices or studying diffusion effects in a nanowire (NW), make this technique important for metrology on the nanoscale. Here we review recent APT investigations applied to transistors (including regions such as gate oxide, channel, source, drain, contacts, etc.), heterogeneous dopant incorporation in NWs, and Pt-based nanoparticles.
C1 [Larson, D. J.; Prosa, T. J.] CAMECA Instruments Inc, Dusseldorf, Germany.
[Perea, D. E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Inoue, K.] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 980, Japan.
[Mangelinck, D.] Aix Marseille Univ, Natl Ctr Sci Res, Inst Mat Microelect Nanosci Provence, Marseille, France.
RP Larson, DJ (reprint author), CAMECA Instruments Inc, Dusseldorf, Germany.
EM david.larson@ametek.com; ty.prosa@ametek.com; daniel.perea@pnnl.gov;
kinoue@imr.tohoku.ac.jp; dominique.mangelinck@im2np.fr
RI Inoue, Koji/H-1814-2011
FU EMSL, a DOE Office of Science User Facility - Office of Biological and
Environmental Research
FX D. Mangelinck acknowledges F. Panciera and K. Hoummada from IM2NP and M.
Gregoire from STMicroelectronics. D.E. Perea acknowledges support from
EMSL, a DOE Office of Science User Facility sponsored by the Office of
Biological and Environmental Research and located at Pacific Northwest
National Laboratory. D.J. Larson and T.J. Prosa would like to thank A.
D. Giddings (TSMC) and their colleagues (K.P. Rice, D. Olson, D. A.
Reinhard, D. Lawrence, and T.F. Kelly) at CAMECA for their assistance
with the nanoparticle portion of this work. K. Inoue acknowledges Y.
Shimizu and Y. Nagai from Tohoku University and H. Takamizawa from JAEA.
Thanks to W. Vandervorst (IMEC) for discussions regarding the IMEC logic
roadmap.
NR 41
TC 2
Z9 2
U1 4
U2 17
PU CAMBRIDGE UNIV PRESS
PI NEW YORK
PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA
SN 0883-7694
EI 1938-1425
J9 MRS BULL
JI MRS Bull.
PD JAN
PY 2016
VL 41
IS 1
BP 30
EP 34
DI 10.1557/mrs.2015.308
PG 5
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA8SB
UT WOS:000368075300009
ER
PT J
AU Puzyrev, YS
Shen, X
Pantelides, ST
AF Puzyrev, Y. S.
Shen, X.
Pantelides, S. T.
TI Prediction of Giant Thermoelectric Efficiency in Crystals with
Interlaced Nanostructure
SO NANO LETTERS
LA English
DT Article
DE Thermoelectric; nanoparticles; density functional theory; ternary;
phonon scattering
ID FIGURE-OF-MERIT; GRAIN-BOUNDARIES; BULK ALLOYS; SIMULATIONS;
PERFORMANCE; RESISTANCE; CUINS2
AB We present a theoretical study of the thermoelectric efficiency of "interlaced crystals", recently discovered in hexagonal-CuInS2 nanoparticles. Interlaced crystals are I-III-VI2 or II-IV-V-2 tetrahedrally bonded compounds. They have a perfect Bravais lattice in which the two cations have an infinite set of possible ordering patterns within the cation sublattice. The material comprises nanoscale interlaced domains and phases with corresponding boundaries. Here we employ density functional theory and large-scale molecular dynamics calculations based on model classical potentials to demonstrate that the phase and domain boundaries are effective phonon scatterers and greatly suppress thermal conductivity. However, the absence of both structural defects and strain in the interlaced material results in a minimal effect on electronic properties. We predict an increase of thermal resistivity of up to 2 orders of magnitude, which makes interlaced crystals an exceptional candidate for thermoelectric applications.
C1 [Puzyrev, Y. S.; Shen, X.; Pantelides, S. T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
[Pantelides, S. T.] Vanderbilt Univ, Dept Elect Engn & Comp Sci, Nashville, TN 37235 USA.
[Pantelides, S. T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Puzyrev, YS (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.
EM yevgeniy.s.puzyrev@vanderbilt.edu
FU Department of Energy [DE-FG02-09ER46554]; McMinn Endowment at Vanderbilt
University; DOE Office of Science [DE-AC02-05CH11231]
FX This work was supported by Department of Energy grant DE-FG02-09ER46554
and by the McMinn Endowment at Vanderbilt University. The computations
were performed at the National Energy Research Scientific Computing
Center, supported by the DOE Office of Science under Contract No.
DE-AC02-05CH11231.
NR 25
TC 0
Z9 0
U1 3
U2 37
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 121
EP 125
DI 10.1021/acs.nanolett.5b03220
PG 5
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700019
PM 26691292
ER
PT J
AU Yang, HX
Vu, AD
Hallal, A
Rougemaille, N
Coraux, J
Chen, G
Schmid, AK
Chshiev, M
AF Yang, Hongxin
Anh Duc Vu
Hallal, Ali
Rougemaille, Nicolas
Coraux, Johann
Chen, Gong
Schmid, Andreas K.
Chshiev, Mairbek
TI Anatomy and Giant Enhancement of the Perpendicular Magnetic Anisotropy
of Cobalt-Graphene Heterostructures
SO NANO LETTERS
LA English
DT Article
DE Magnetocrystalline anisotropy; graphene; spintronics;
graphene/transition metal interfaces
ID AUGMENTED-WAVE METHOD; TUNNEL-JUNCTIONS; EPITAXIAL GRAPHENE; SPIN
TRANSPORT; INTERCALATION; SPINTRONICS; MULTILAYER; DEPOSITION; METALS
AB We report strongly enhanced perpendicular magnetic anisotropy (PMA) of Co films by graphene coating from both first-principles and experiments. Our calculations show that graphene can dramatically boost the surface anisotropy of Co films up to twice the value of its pristine counterpart and can extend the out-of-plane effective anisotropy up to unprecedented thickness of 25 angstrom. These findings are supported by our experiments on graphene coating on Co films grown on Ir substrate. Furthermore, we report layer-resolved and orbital-hybridization-resolved anisotropy analysis, which help understanding of the physical mechanisms of PMA and more practically can help design structures with giant PMA. As an example, we propose superexchange stabilized Co-graphene heterostructures with a robust constant effective PMA. and linearly increasing interfacial anisotropy as a function of film thickness. These findings point toward possibilities to engineer graphene/ferromagnetic metal heterostructures with giant magnetic anisotropy more than 20-times larger compared to conventional multilayers, which constitutes a hallmark for future graphene and traditional spintronic technologies.
C1 [Yang, Hongxin; Chshiev, Mairbek] Univ Grenoble Alpes, INAC SPINTEC, F-38000 Grenoble, France.
[Yang, Hongxin; Hallal, Ali; Chshiev, Mairbek] CNRS, SPINTEC, F-38000 Grenoble, France.
[Yang, Hongxin; Hallal, Ali; Chshiev, Mairbek] CEA, INAC SPINTEC, F-38000 Grenoble, France.
[Anh Duc Vu; Rougemaille, Nicolas; Coraux, Johann] Univ Grenoble Alples, Inst NEEL, F-38000 Grenoble, France.
[Anh Duc Vu; Rougemaille, Nicolas; Coraux, Johann] CNRS, Inst NEEL, F-38000 Grenoble, France.
[Chen, Gong; Schmid, Andreas K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, NCEM, Berkeley, CA 94720 USA.
RP Chshiev, M (reprint author), Univ Grenoble Alpes, INAC SPINTEC, F-38000 Grenoble, France.
EM mair.chshiev@cea.fr
RI Chshiev, Mairbek/A-9742-2008; Coraux, Johann/A-7897-2008; Chen,
Gong/H-3074-2015
OI Chshiev, Mairbek/0000-0001-9232-7622;
FU European Union [604391 GRAPHENE FLAGSHIP, ANR-2010-BLAN-1019-NMGEM,
ANR-12-BS-1000-401-NANOCELLS]; Office of Science, Office of Basic Energy
Sciences, Scientific User Facilities Division, of the U.S. Department of
Energy [DE-AC02-05CH11231]
FX The authors would like to thank B. Dieny, S. Roche, F. Ibrahim, and A.
Fert for fruitful discussions. The research leading to these results has
received funding from the European Union Seventh Framework Programme
under Grant Agreement Nos. 604391 GRAPHENE FLAGSHIP, the
ANR-2010-BLAN-1019-NMGEM, and ANR-12-BS-1000-401-NANOCELLS projects.
Experiments were performed at the Molecular Foundry, Lawrence Berkeley
National Laboratory, supported by the Office of Science, Office of Basic
Energy Sciences, Scientific User Facilities Division, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 56
TC 6
Z9 6
U1 21
U2 72
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 145
EP 151
DI 10.1021/acs.nanolett.5b03392
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700023
PM 26641927
ER
PT J
AU Lee, S
Tang, A
Aloni, S
Wong, HSP
AF Lee, Seunghyun
Tang, Alvin
Aloni, Shaul
Wong, H. -S. Philip
TI Statistical Study on the Schottky Barrier Reduction of Tunneling
Contacts to CVD Synthesized MoS2
SO NANO LETTERS
LA English
DT Article
DE MoS2; tunneling insulator; low-resistance contact; CVD synthesis
ID TRANSITION-METAL DICHALCOGENIDES; FIELD-EFFECT TRANSISTORS; LAYERS;
ELECTRONICS; HEIGHTS; STATES
AB Creating high-quality, low-resistance contacts is essential for the development of electronic applications using two-dimensional (2D) layered materials. Many previously reported methods for lowering the contact resistance rely on volatile chemistry that either oxidize or degrade in ambient air. Nearly all reported efforts have been conducted on only a few devices with mechanically exfoliated flakes which is not amenable to large scale manufacturing. In this work, Schottky barrier heights of metal-MoS2 contacts to devices fabricated from CVD synthesized MoS2 films were reduced by inserting a thin tunneling Ta2O5 layer between MoS2 and metal contacts. Schottky barrier height reductions directly correlate with exponential reductions in contact resistance. Over two hundred devices were tested and contact resistances extracted for large scale statistical analysis. As compared to metal-MoS2 Schottky contacts without an insulator layer, the specific contact resistivity has been lowered by up to 3 orders of magnitude and current values increased by 2 orders of magnitude over large area (>4 cm(2)) films.
C1 [Lee, Seunghyun; Tang, Alvin; Wong, H. -S. Philip] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA.
[Lee, Seunghyun; Tang, Alvin; Wong, H. -S. Philip] Stanford Univ, Stanford SystemX Alliance, Stanford, CA 94305 USA.
[Aloni, Shaul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
RP Lee, S (reprint author), Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA.
EM seansl@stanford.edu
FU Stanford Initiative for Nanoscale Materials and Processes (INMP)
affiliate program; Function Accelerated nanoMaterial Engineering (FAME)
Center; one of six centers of Semiconductor Technology Advanced Research
Network (STARnet); Semiconductor Research Corporation (SRC) program -
Microelectronics Advanced Research Corporation (MARCO); Defense Advanced
Research Projects Agency (DARPA); Office of Science, Office of Basic
Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]
FX This work is supported in part by the member companies of Stanford
Initiative for Nanoscale Materials and Processes (INMP) affiliate
program, and Function Accelerated nanoMaterial Engineering (FAME)
Center, one of six centers of Semiconductor Technology Advanced Research
Network (STARnet), a Semiconductor Research Corporation (SRC) program
sponsored by Microelectronics Advanced Research Corporation (MARCO) and
Defense Advanced Research Projects Agency (DARPA). Work at the Molecular
Foundry was supported by the Office of Science, Office of Basic Energy
Sciences, of the U.S. Department of Energy under Contract No.
DE-AC02-05CH11231.
NR 31
TC 11
Z9 11
U1 16
U2 69
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 276
EP 281
DI 10.1021/acs.nanolett.5b03727
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700044
PM 26698919
ER
PT J
AU Pham, T
Fathalizadeh, A
Shevitski, B
Turner, S
Aloni, S
Zettl, A
AF Thang Pham
Fathalizadeh, Aidin
Shevitski, Brian
Turner, Sally
Aloni, Shaul
Zettl, Alex
TI A Universal Wet-Chemistry Route to Metal Filling of Boron Nitride
Nanotubes
SO NANO LETTERS
LA English
DT Article
DE Boron nitride nanotubes; metal filling; wet-chemistry; metal nanowires
ID FILLED CARBON NANOTUBES; BN NANOTUBES; IN-SITU; NANOWIRES; NANORODS;
TRANSPORT; OXIDATION; PARTICLES; PRESSURE; GROWTH
AB We present a facile wet-chemistry method for efficient metal filling of the hollow inner cores of boron nitride nanotubes (BNNTs). The fillers conform to the cross-section of the tube cavity and extend in length from a few nm to hundreds of nm. The methodology is robust and is demonstrated for noble metals (Au, Pt, Pd, and Ag), transition metals (Co), and post-transition elements (In). Transmission electron microscopy and related electron spectroscopy confirm the composition and morphology of the filler nanoparticles. Up to 60% of BNNTs of a given preparation batch have some degree of metal encapsulation, and individual tubes can have up to 10% of their core volume filled during initial loading. The growth, movement, and fusing of metal nanoparticles within the BNNTs are also examined.
C1 [Thang Pham; Fathalizadeh, Aidin; Shevitski, Brian; Turner, Sally; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Thang Pham] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Turner, Sally] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Shevitski, Brian; Aloni, Shaul] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Thang Pham; Fathalizadeh, Aidin; Turner, Sally; Zettl, Alex] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Thang Pham; Fathalizadeh, Aidin; Turner, Sally; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM azettl@physics.berkeley.edu
RI Zettl, Alex/O-4925-2016
OI Zettl, Alex/0000-0001-6330-136X
FU Office of Basic Energy Sciences, Materials Sciences and Engineering
Division, of the U.S. Department of Energy [DE-AC02-05CH11231];
Molecular Foundry at the Lawrence Berkeley National Laboratory
[DE-AC02-05CH11231]
FX This research was supported in part by the Director, Office of Basic
Energy Sciences, Materials Sciences and Engineering Division, of the
U.S. Department of Energy under Contract No. DE-AC02-05CH11231, within
the sp-bonded Materials Program, which provided for the design,
construction, and execution of the experiment; and by the Molecular
Foundry at the Lawrence Berkeley National Laboratory, under Contract No.
DE-AC02-05CH11231, which provided for STEM, EDS, and EELS
characterization.
NR 57
TC 4
Z9 4
U1 13
U2 57
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 320
EP 325
DI 10.1021/acs.nanolett.5b03874
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700050
PM 26707874
ER
PT J
AU Ming, WM
Wang, ZF
Zhou, M
Yoon, M
Liu, F
AF Ming, Wenmei
Wang, Z. F.
Zhou, Miao
Yoon, Mina
Liu, Feng
TI Formation of Ideal Rashba States on Layered Semiconductor Surfaces
Steered by Strain Engineering
SO NANO LETTERS
LA English
DT Article
DE Ideal Rashba splitting; layered semiconductor substrate; heavy metal
overlayer; strain; spin field transistor
ID GAP; PHOTOEMISSION; SPECTROSCOPY
AB Spin splitting of Rashba states in two-dimensional electron system provides a promising mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface beta-InSe(0001) can possess "ideal" Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substrate band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green's function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.
C1 [Ming, Wenmei; Wang, Z. F.; Zhou, Miao; Liu, Feng] Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA.
[Ming, Wenmei; Yoon, Mina] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Wang, Z. F.] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China.
[Zhou, Miao] Chongqing Univ, Coll Optoelect Engn, Educ Minist China, Key Lab Optoelect Technol & Syst, Chongqing 400044, Peoples R China.
[Liu, Feng] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China.
RP Yoon, M (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM myoon@ornl.gov; fliu@eng.utah.edu
RI Yoon, Mina/A-1965-2016
OI Yoon, Mina/0000-0002-1317-3301
FU NSF MRSEC [DMR-1121252]; DOE-BES [DE-FG02-04ER46148]; Laboratory
Directed Research and Development Program; Center for Nanophase
Materials Sciences of the Scientific User Facilities Division, Office of
Basic Energy Sciences, U.S. Department of Energy; Office of Science of
the U.S. Department of Energy [DE-AC02-05CH11231]
FX The work at Utah was supported by NSF MRSEC (Grant DMR-1121252) (W.M.,
Z.F.) and DOE-BES (Grant DE-FG02-04ER46148) (M.Z. FL.); the work at Oak
Ridge National Laboratory was supported by the Laboratory Directed
Research and Development Program (W.M.) and by the Center for Nanophase
Materials Sciences (M.Y.) of the Scientific User Facilities Division,
Office of Basic Energy Sciences, U.S. Department of Energy. We thank the
CHPC at the University of Utah for providing the computing resources.
This research used resources of the National Energy Research Scientific
Computing Center, supported by the Office of Science of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 45
TC 9
Z9 9
U1 15
U2 39
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 404
EP 409
DI 10.1021/acs.nanolett.5b04005
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700063
PM 26651374
ER
PT J
AU Liu, YP
Tom, K
Wang, X
Huang, CM
Yuan, HT
Ding, H
Ko, C
Suh, J
Pan, L
Persson, KA
Yao, J
AF Liu, Yanping
Tom, Kyle
Wang, Xi
Huang, Chunming
Yuan, Hongtao
Ding, Hong
Ko, Changhyun
Suh, Joonki
Pan, Lawrence
Persson, Kristin A.
Yao, Jie
TI Dynamic Control of Optical Response in Layered Metal Chalcogenide
Nanoplates
SO NANO LETTERS
LA English
DT Article
DE Dynamic optical tuning; 2D materials; metal chalcogenides; ionic liquid
gating
ID TOPOLOGICAL INSULATOR BI2SE3; AUGMENTED-WAVE METHOD; IONIC LIQUID;
TRANSITION; GRAPHENE; MOS2; TRANSPORT; FILMS; DICHALCOGENIDES;
TRANSISTORS
AB Tunable optical transitions in ultrathin layered 2-dimensional (2D) materials unveil the electronic structures of materials and provide exciting prospects for potential applications in optics and photonics. Here, we present our realization of dynamic optical modulation of layered metal chalcogenide nanoplates using ionic liquid (IL) gating over a wide spectral range. The IL gating significantly increased the tuning range of the Fermi level and, as a result, substantially altered the optical transitions in the nanoplates. Using heavily n-doped Bi2Se3 nanoplates, we substantially modulated the light transmission through the ultrathin layer. A tunable, high-transmission spectral window in the visible to near-infrared region has been observed due to simultaneous shifts of both the plasma edge and absorption edge of the material. On the other hand, optical response of multilayer MoSe2 flakes gated by IL has shown enhanced transmission in both positive and negative biases, which is consistent with their ambipolar electrical behavior. The electrically controlled optical property tuning in metal chalcogenide material systems provides new opportunities for potential applications, such as wide spectral range optical modulators, optical filters, and electrically controlled smart windows with extremely low material consumption.
C1 [Liu, Yanping; Tom, Kyle; Wang, Xi; Huang, Chunming; Ko, Changhyun; Suh, Joonki; Pan, Lawrence; Persson, Kristin A.; Yao, Jie] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Tom, Kyle; Yao, Jie] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Ding, Hong; Persson, Kristin A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA.
[Yuan, Hongtao] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA.
[Yuan, Hongtao] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA.
RP Yao, J (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
EM yaojie@berkeley.edu
RI Yuan, Hongtao/C-9807-2012; Ko, Changhyun/E-1686-2011
FU Samsung Advanced Institute of Technology [037361-003]; Hellman Family
Foundation; Department of Energy's Basic Energy Sciences program-the
Materials Project [EDCBEE]; Office of Science of the U.S. Department of
Energy [DEAC02-05CH11231]
FX Y.L would like to thank Yu Ye for his useful discussions and also Jun
Xiao, Sui Yang, Xingchen Quanwei Li, Hanyu Zhu, Qinglin Xia, and
Zhigiang Niu for their experimental assistance. This work is supported
by the Samsung Advanced Institute of Technology under the grant
037361-003, and the Hellman Family Foundation. Computational work was
supported by the Department of Energy's Basic Energy Sciences
program-the Materials Project-under Grant No. EDCBEE, and the Office of
Science of the U.S. Department of Energy under Contract No.
DEAC02-05CH11231.
NR 54
TC 3
Z9 3
U1 10
U2 58
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 488
EP 496
DI 10.1021/acs.nanolett.5b04140
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700075
PM 26599063
ER
PT J
AU Paskiewicz, DM
Sichel-Tissot, R
Karapetrova, E
Stan, L
Fong, DD
AF Paskiewicz, Deborah M.
Sichel-Tissot, Rebecca
Karapetrova, Evguenia
Stan, Liliana
Fong, Dillon D.
TI Single-Crystalline SrRuO3 Nanomembranes: A Platform for Flexible Oxide
Electronics
SO NANO LETTERS
LA English
DT Article
DE Nanomembrane; epitaxy; complex oxides; ferroelectric; single-crystals
ID THIN-FILMS; PEROVSKITE OXIDES; THERMAL-EXPANSION; OXYGEN EVOLUTION;
TRANSITION; PHYSICS; SILICON; HETEROSTRUCTURES; FUNCTIONALITIES;
PRINCIPLES
AB The field of oxide electronics has benefited from the wide spectrum of functionalities available to the ABO(3) perovskites, and researchers are now employing defect engineering in single crystalline heterostructures to tailor properties. However, bulk oxide single crystals are not conducive to many types of applications, particularly those requiring mechanical flexibility. Here, we demonstrate the realization of an all-oxide, single-crystalline nanomembrane heterostructure. With a surface-to-volume ratio of 2 x 10(7), the nanomembranes are fully flexible and can be readily transferred to other materials for handling purposes or for new materials integration schemes. Using in situ synchrotron X-ray scattering, we find that the nanomembranes can bond to other host substrates near room temperature and demonstrate coupling between surface reactivity and electromechanical properties in ferroelectric nanomembrane systems. The synthesis technique described here represents a significant advancement in materials integration and provides a new platform for the development of flexible oxide electronics.
C1 [Paskiewicz, Deborah M.; Sichel-Tissot, Rebecca; Fong, Dillon D.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Karapetrova, Evguenia] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Stan, Liliana] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
RP Fong, DD (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM fong@anl.gov
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences, Materials Sciences and Engineering Division; U.S. Department
of Energy, Office of Science, Office of Basic Energy Sciences
[DE-AC02-06CH11357]; Argonne National Laboratory Director's Postdoctoral
Fellowship Program
FX We thank C. Schleputz, M. Highland, and J. Eastman for helpful
discussions. This work was supported by U.S. Department of Energy,
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division. Use of the Advanced Photon Source and the
Center for Nanoscale Materials, an Office of Science user facility, was
supported by the U.S. Department of Energy, Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. D.M.P.
acknowledges support from the Argonne National Laboratory Director's
Postdoctoral Fellowship Program.
NR 59
TC 2
Z9 2
U1 17
U2 65
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 534
EP 542
DI 10.1021/acs.nanolett.5b04176
PG 9
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700081
PM 26652204
ER
PT J
AU Gerber, LCH
Frischmann, PD
Fan, FY
Doris, SE
Qu, X
Scheuermann, AM
Persson, K
Chiang, YM
Helms, BA
AF Gerber, Laura C. H.
Frischmann, Peter D.
Fan, Frank Y.
Doris, Sean E.
Qu, Xiaohui
Scheuermann, Angelique M.
Persson, Kristin
Chiang, Yet-Ming
Helms, Brett A.
TI Three-Dimensional Growth of Li2S in Lithium-Sulfur Batteries Promoted by
a Redox Mediator
SO NANO LETTERS
LA English
DT Article
DE Lithium-sulfur battery; redox mediator; electrodeposition; polysulfide;
morphology; lithium sulfide
ID RECHARGEABLE LI-O-2 BATTERIES; RAY-ABSORPTION SPECTROSCOPY; OXYGEN
BATTERIES; AIR BATTERY; ENERGY-STORAGE; ORGANIC ELECTROLYTE; LIQUID
ELECTROLYTE; CATHODE MATERIALS; CHARGE-TRANSPORT; LI/AIR BATTERIES
AB During the discharge of a lithium-sulfur (Li-S) battery, an electronically insulating 2D layer of Li2S is electrodeposited onto the current collector. Once the current collector is enveloped, the overpotential of the cell increases, and its discharge is arrested, often before reaching the full capacity of the active material. Guided by a new computational platform known as the Electrolyte Genome, we advance and apply benzo[ghi]peryleneimide (BPI) as a redox mediator for the reduction of dissolved polysulfides to Li2S. With BPI present, we show that it is now possible to electrodeposit Li2S as porous, 3D deposits onto carbon current collectors during cell discharge. As a result, sulfur utilization improved 220% due to a 6-fold increase in Li2S formation. To understand the growth mechanism, electrodeposition of Li2S was carried out under both galvanostatic and potentiostatic control. The observed kinetics under potentiostatic control were modeled using modified Avrami phase transformation kinetics, which showed that BPI slows the impingement of insulating Li2S islands on carbon. Conceptually, the pairing of conductive carbons with BPI can be viewed as a vascular approach to the design of current collectors for energy storage devices: here, conductive carbon "arteries" dominate long-range electron transport, while BPI "capillaries" mediate short-range transport and electron transfer between the storage materials and the carbon electrode.
C1 [Gerber, Laura C. H.; Frischmann, Peter D.; Doris, Sean E.; Scheuermann, Angelique M.; Helms, Brett A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.
[Qu, Xiaohui; Persson, Kristin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA.
[Fan, Frank Y.; Chiang, Yet-Ming] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.
[Doris, Sean E.; Scheuermann, Angelique M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Persson, Kristin] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Helms, BA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, One Cyclotron Rd, Berkeley, CA 94720 USA.
EM BAHelms@lbl.gov
FU Joint Center for Energy Storage Research, an Energy Innovation Hub -
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; 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]; Department of Defense
through the National Defense Science AMP; Engineering Graduate
Fellowship Program
FX This work was supported by the Joint Center for Energy Storage Research,
an Energy Innovation Hub funded by the U.S. Department of Energy, Office
of Science, Office of Basic Energy Sciences. Portions of the
work-including BPI synthesis, characterization, and experimental
validation as a redox mediator in Li-S cells-were carried out as a user
project at the Molecular Foundry, which is 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, a
DOE Office of Science User Facility supported by the Office of Science
of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.
S.E.D. was supported by the Department of Defense through the National
Defense Science & Engineering Graduate Fellowship Program.
NR 69
TC 12
Z9 12
U1 39
U2 224
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 549
EP 554
DI 10.1021/acs.nanolett.5b04189
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700083
PM 26691496
ER
PT J
AU Guo, H
Song, XH
Zhuo, ZQ
Hu, JT
Liu, TC
Duan, YD
Zheng, JX
Chen, ZH
Yang, WL
Amine, K
Pan, F
AF Guo, Hua
Song, Xiaohe
Zhuo, Zengqing
Hu, Jiangtao
Liu, Tongchao
Duan, Yandong
Zheng, Jiaxin
Chen, Zonghai
Yang, Wanli
Amine, Khalil
Pan, Feng
TI Storage and Effective Migration of Li-Ion for Defected beta-LiFePO4
Phase Nanocrystals
SO NANO LETTERS
LA English
DT Article
DE beta-LiFePO4; disorder; activation; density functional theory; lithium
migration passages
ID RECHARGEABLE LITHIUM BATTERIES; CATHODE MATERIALS; LIFEPO4; TRANSITION;
PRESSURE; DIFFUSION; FEPO4; CRYSTALLIZATION; TRANSFORMATION; PERFORMANCE
AB Lithium iron phosphate, a widely used cathode material, crystallizes typically in olivine-type phase, alpha-LiFePO4 (alpha LFP). However, the new phase beta-LiFePO4 (beta LFP), which can be transformed from aLFP under high temperature and pressure, is originally almost electrochemically inactive with no capacity for Li-ion battery, because the Li-ions are stored in the tetrahedral [LiO4] with very high activation barrier for migration and the one-dimensional (1D) migration channels for Li-ion diffusion in alpha LFP disappear, while the Fe ions in the beta-phase are oriented similar to the 1D arrangement instead. In this work, using experimental studies combined with density functional theory calculations, we demonstrate that beta LFP can be activated with creation of effective paths of Li-ion migration by optimized disordering. Thus, the new phase of beta LFP cathode achieved a capacity of 128 mAh g(-1) at a rate of 0.1 C (1C = 170 mA g(-1)) with extraordinary cycling performance that 94.5% of the initial capacity retains after 1000 cycles at 1 C. The activation mechanism can be attributed to that the induced disorder (such as FeLiLiFe antisite defects, crystal distortion, and amorphous domains) creates new lithium migration passages, which free the captive stored lithium atoms and facilitate their intercalation/deintercalation from the cathode. Such materials activated by disorder are promising candidate cathodes for lithium batteries, and the related mechanism of storage and effective migration of Li-ions also provides new clues for future design of disordered-electrode materials with high capacity and high energy density.
C1 [Guo, Hua; Song, Xiaohe; Zhuo, Zengqing; Hu, Jiangtao; Liu, Tongchao; Duan, Yandong; Zheng, Jiaxin; Amine, Khalil; Pan, Feng] Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China.
[Chen, Zonghai; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Electrochem Technol Program, Argonne, IL 60439 USA.
[Zhuo, Zengqing; Yang, Wanli] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Zheng, JX (reprint author), Peking Univ, Shenzhen Grad Sch, Sch Adv Mat, Shenzhen 518055, Peoples R China.
EM zhengjx@pkusz.edu.cn; panfeng@pkusz.edu.cn
RI Yang, Wanli/D-7183-2011; Duan, Yandong/I-4206-2013
OI Yang, Wanli/0000-0003-0666-8063;
FU Guangdong Innovation Team Project [2013N080]; ShenZhen Peacock Plan
[KYPT20141016105435850]; Shenzhen Science and Technology Research Grant
[ZDSY20130331145131323, JCYJ20140903101633318, JCYJ20140903101617271];
ShenZhen National Super Computing Center
FX The research was financially supported by Guangdong Innovation Team
Project (No. 2013N080), ShenZhen Peacock Plan (Grant
KYPT20141016105435850), and Shenzhen Science and Technology Research
Grant (Nos. ZDSY20130331145131323, JCYJ20140903101633318, and
JCYJ20140903101617271). Additionally, we acknowledge the support of
ShenZhen National Super Computing Center.
NR 41
TC 9
Z9 9
U1 31
U2 111
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 601
EP 608
DI 10.1021/acs.nanolett.5b04302
PG 8
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700092
PM 26632008
ER
PT J
AU Liu, Q
Gao, MR
Liu, YZ
Okasinski, JS
Ren, Y
Sun, YG
AF Liu, Qi
Gao, Min-Rui
Liu, Yuzi
Okasinski, John S.
Ren, Yang
Sun, Yugang
TI Quantifying the Nucleation and Growth Kinetics of Microwave
Nanochemistry Enabled by in Situ High-Energy X-ray Scattering
SO NANO LETTERS
LA English
DT Article
DE Microwave nanochemistry; in situ high-energy X-ray diffraction; silver
nanoparticles; first-order reaction kinetics; self-catalytic reaction
kinetics
ID SHAPE-CONTROLLED SYNTHESIS; UNIFORM SILVER NANOWIRES; ASSISTED
SYNTHESIS; POLYOL SYNTHESIS; SUPERCRITICAL WATER; GREEN SYNTHESIS;
NANOPARTICLES; NANOSTRUCTURES; NANOCRYSTALS; CHEMISTRY
AB The fast reaction kinetics presented in the microwave synthesis of colloidal silver nanoparticles was quantitatively studied, for the first time, by integrating a microwave reactor with in situ X-ray diffraction at a high-energy synchrotron beamline. Comprehensive data analysis reveals two different types of reaction kinetics corresponding to the nucleation and growth of the Ag nanoparticles. The formation of seeds (nucleation) follows typical first-order reaction kinetics with activation energy of 20.34 kJ/mol, while the growth of seeds (growth) follows typical self-catalytic reaction kinetics. Varying the synthesis conditions indicates that the microwave colloidal chemistry is independent of concentration of surfactant. These discoveries reveal that the microwave synthesis of Ag nanoparticles proceeds with reaction kinetics significantly different from the synthesis present in conventional oil bath heating. The in situ X-ray diffraction technique reported in this work is promising to enable further understanding of crystalline nanomaterials formed through microwave synthesis.
C1 [Liu, Qi; Gao, Min-Rui; Liu, Yuzi; Sun, Yugang] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA.
[Okasinski, John S.; Ren, Yang] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
RP Sun, YG (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM ygsun@anl.gov
RI Sun, Yugang /A-3683-2010; Liu, Yuzi/C-6849-2011
OI Sun, Yugang /0000-0001-6351-6977;
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences [DE-AC02-06CH11357]; DOE Office of Science by Argonne National
Laboratory [DE-AC02-06CH11357]
FX Use of the Center for Nanoscale Materials, an Office of Science user
facility, was supported by the U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. This research used resources of the Advanced Photon
Source, a U.S. Department of Energy (DOE) Office of Science User
Facility operated for the DOE Office of Science by Argonne National
Laboratory under Contract No. DE-AC02-06CH11357.
NR 45
TC 3
Z9 3
U1 5
U2 29
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 715
EP 720
DI 10.1021/acs.nanolett.5b04541
PG 6
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700109
PM 26625184
ER
PT J
AU Ma, L
Luo, XY
Kropf, AJ
Wen, JG
Wang, XP
Lee, S
Myers, DJ
Miller, D
Wu, TP
Lu, J
Amine, K
AF Ma, Lu
Luo, Xiangyi
Kropf, A. Jeremy
Wen, Jianguo
Wang, Xiaoping
Lee, Sungsik
Myers, Deborah J.
Miller, Dean
Wu, Tianpin
Lu, Jun
Amine, Khalil
TI Insight into the Catalytic Mechanism of Bimetallic Platinum-Copper
Core-Shell Nanostructures for Nonaqueous Oxygen Evolution Reactions
SO NANO LETTERS
LA English
DT Article
DE bimetallic catalysts; oxygen evolution reaction; X-ray absorption
spectroscopy; nanostructures; alloys
ID RECHARGEABLE LI-O-2 BATTERIES; LITHIUM-AIR BATTERIES; REDUCTION
REACTION; ELECTROCATALYSTS; SURFACES; NANOPARTICLES; NANOCRYSTALS;
REACTIVITY; PROGRESS; DESIGN
AB The oxygen evolution reaction (OER) plays a critical role in multiple energy conversion and storage applications. However, its sluggish kinetics usually results in large voltage polarization and unnecessary energy loss. Therefore, designing efficient catalysts that could facilitate this process has become an emerging topic. Here, we present a unique Pt-Cu core-shell nanostructure for catalyzing the nonaqueous OER. The catalysts were systematically investigated with comprehensive spectroscopic techniques, and applied in nonaqueous Li-O-2 electrochemical cells, which exhibited dramatically reduced charging overpotential (<0.2 V). The superior performance is explained by the robust Cu(I) surface sites stabilized by the Pt core in the nanostructure. The insights into the catalytic mechanism of the unique Pt-Cu core-shell nanostructure gained in this work are expected to serve as a guide for future design of other nanostructured bimetallic OER catalysts.
C1 [Ma, Lu; Lee, Sungsik; Wu, Tianpin] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA.
[Luo, Xiangyi] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA.
[Kropf, A. Jeremy; Wang, Xiaoping; Myers, Deborah J.; Lu, Jun; Amine, Khalil] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA.
[Wen, Jianguo; Miller, Dean] Argonne Natl Lab, Ctr Nanoscale Mat, Ctr Electron Microscopy, Argonne, IL 60439 USA.
RP Wu, TP (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA.
EM twu@aps.anl.gov; junlu@anl.gov; amine@anl.gov
RI BM, MRCAT/G-7576-2011
FU U.S. Department of Energy under the Vehicle Technologies Office,
Department of Energy, Office of Energy Efficiency and Renewable Energy
(EERE) [DE-AC0206CH11357]; U.S. Department of Energy; MRCAT; U.S.
Department of Energy, Office of Basic Energy Sciences
[DE-AC02-06CH11357]
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC0206CH11357 from the Vehicle Technologies Office, Department of
Energy, Office of Energy Efficiency and Renewable Energy (EERE). MRCAT
operations are supported by the U.S. Department of Energy and the MRCAT
member institutions. Use of the Advanced Photon Source and the Electron
Microscopy Center, Center for Nanoscale Materials was supported by the
U.S. Department of Energy, Office of Basic Energy Sciences, under
contract No. DE-AC02-06CH11357.
NR 37
TC 2
Z9 2
U1 31
U2 149
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 781
EP 785
DI 10.1021/acs.nanolett.5b04794
PG 5
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700119
PM 26709945
ER
PT J
AU Sutter-Fella, CM
Li, YB
Amani, M
Ager, JW
Toma, FM
Yablonovitch, E
Sharp, ID
Javey, A
AF Sutter-Fella, Carolin M.
Li, Yanbo
Amani, Matin
Ager, Joel W., III
Toma, Francesca M.
Yablonovitch, Eli
Sharp, Ian D.
Javey, Ali
TI High Photoluminescence Quantum Yield in Band Gap Tunable Bromide
Containing Mixed Halide Perovskites
SO NANO LETTERS
LA English
DT Article
DE Halide perovskite; wide band gap semiconductor; quantum yield; tandem
device
ID TANDEM SOLAR-CELL; EFFICIENCY; PERFORMANCE; CH3NH3PBI3; TRIHALIDE;
EXCITONS; LENGTHS
AB Hybrid organic inorganic halide perovskite based semiconductor materials are attractive for use in a wide range of optoelectronic devices because they combine the advantages of suitable optoelectronic attributes and simultaneously low-cost solution processability. Here, we present a two-step low-pressure vapor-assisted solution process to grow high quality homogeneous CH3NH3PbI3-xBrx perovskite films over the full band gap range of 1.6-2.3 eV. Photoluminescence light-in versus light-out characterization techniques are used to provide new insights into the optoelectronic properties of Br-containing hybrid organic inorganic perovskites as a function of optical carrier injection by employing pump-powers over a 6 orders of magnitude dynamic range. The internal luminescence quantum yield of wide band gap perovskites reaches impressive values up to 30%. This high quantum yield translates into substantial quasi-Fermi level splitting and high "luminescence or optically implied" open-circuit voltage. Most importantly, both attributes, high internal quantum yield and high optically implied open-circuit voltage, are demonstrated over the entire band gap range (1.6 eV <= E-g < 2.3 eV). These results establish the versatility of Br-containing perovskite semiconductors for a variety of applications and especially for the use as high-quality top cell in tandem photovoltaic devices in combination with industry dominant Si bottom cells.
C1 [Sutter-Fella, Carolin M.; Amani, Matin; Yablonovitch, Eli; Javey, Ali] Univ Calif Berkeley, Elect Engn & Comp Sci, Berkeley, CA 94720 USA.
[Sutter-Fella, Carolin M.; Amani, Matin; Ager, Joel W., III; Yablonovitch, Eli; Javey, Ali] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Li, Yanbo; Toma, Francesca M.; Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Li, Yanbo; Toma, Francesca M.; Sharp, Ian D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Ager, Joel W., III] Univ Calif Berkeley, Mat Sci & Engn, Berkeley, CA 94720 USA.
RP Sharp, ID (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM idsharp@lbl.gov; ajavey@berkeley.edu
RI Li, Yanbo/A-3461-2009;
OI Li, Yanbo/0000-0002-3017-762X; Sutter-Fella, Carolin/0000-0002-7769-0869
FU Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division of the U.S. Department of Energy
[DE-AC02-05CH11231]; Office of Science of the U.S. Department of Energy
[DE-SC0004993]; Office of Science, Office of Basic Energy Sciences, of
the U.S. Department of Energy [DE-AC02-05CH11231]; Swiss National
Science Foundation [P2EZP2_155586]
FX The optical characterization and quantum yield measurements were
supported by the Electronic Materials program, funded by the Director,
Office of Science, Office of Basic Energy Sciences, Materials Sciences
and Engineering Division of the U.S. Department of Energy under Contract
No. DE-AC02-05CH11231. Perovskite process development, thin film
synthesis, and structural characterization were performed at 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. SEM/EDX measurements were performed at
the Molecular Foundry, which is supported by the Office of Science,
Office of Basic Energy Sciences, of the U.S. Department of Energy under
Contract No. DE-AC02-05CH11231. C.M.S.-F. acknowledges financial support
from the Swiss National Science Foundation (P2EZP2_155586).
NR 51
TC 22
Z9 22
U1 17
U2 110
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 1530-6984
EI 1530-6992
J9 NANO LETT
JI Nano Lett.
PD JAN
PY 2016
VL 16
IS 1
BP 800
EP 806
DI 10.1021/acs.nanolett.5b04884
PG 7
WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience &
Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied;
Physics, Condensed Matter
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DB2FC
UT WOS:000368322700123
PM 26691065
ER
PT J
AU Pham, T
Goldstein, AP
Lewicki, JP
Kucheyev, SO
Wang, C
Russell, TP
Worsley, MA
Woo, L
Mickelson, W
Zettl, A
AF Pham, Thang
Goldstein, Anna P.
Lewicki, James P.
Kucheyev, Sergei O.
Wang, Cheng
Russell, Thomas P.
Worsley, Marcus A.
Woo, Leta
Mickelson, William
Zettl, Alex
TI Nanoscale structure and superhydrophobicity of sp(2)-bonded boron
nitride aerogels (vol 7, pg 10449, 2015)
SO NANOSCALE
LA English
DT Correction
C1 [Pham, Thang; Goldstein, Anna P.; Mickelson, William; Zettl, Alex] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Pham, Thang] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Pham, Thang; Mickelson, William; Zettl, Alex] Univ Calif Berkeley, Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA.
[Pham, Thang; Goldstein, Anna P.; Zettl, Alex] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Pham, Thang; Goldstein, Anna P.; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Goldstein, Anna P.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.
[Lewicki, James P.; Kucheyev, Sergei O.; Worsley, Marcus A.; Woo, Leta] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA.
[Wang, Cheng] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Conte Polymer Res Ctr, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
[Russell, Thomas P.; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Zettl, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM azettl@berkeley.edu
RI Zettl, Alex/O-4925-2016
OI Zettl, Alex/0000-0001-6330-136X
NR 1
TC 0
Z9 0
U1 6
U2 19
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2040-3364
EI 2040-3372
J9 NANOSCALE
JI Nanoscale
PY 2016
VL 8
IS 3
BP 1705
EP 1705
DI 10.1039/c5nr90227d
PG 1
WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials
Science, Multidisciplinary; Physics, Applied
SC Chemistry; Science & Technology - Other Topics; Materials Science;
Physics
GA DA8FJ
UT WOS:000368040200057
PM 26676371
ER
PT J
AU Abrams, T
Jaworski, MA
Chen, M
Carter, EA
Kaita, R
Stotler, DP
De Temmerman, G
Morgan, TW
van den Berg, MA
van der Meiden, HJ
AF Abrams, T.
Jaworski, M. A.
Chen, M.
Carter, E. A.
Kaita, R.
Stotler, D. P.
De Temmerman, G.
Morgan, T. W.
van den Berg, M. A.
van der Meiden, H. J.
TI Suppressed gross erosion of high-temperature lithium via rapid deuterium
implantation
SO NUCLEAR FUSION
LA English
DT Article
DE lithium; lithium sputtering; ion implantation; Magnum-PSI; liquid
metals; deuterium retention
ID LIQUID LITHIUM; DYNAMICS; BOMBARDMENT; SIMULATION; COATINGS; PT(111)
AB Lithium-coated high-Z substrates are planned for use in the NSTX-U divertor and are a candidate plasma facing component (PFC) for reactors, but it remains necessary to characterize the gross Li erosion rate under high plasma fluxes (>10(23) m(-2) s(-1)), typical for the divertor region. In this work, a realistic model for the compositional evolution of a Li/D layer is developed that incorporates first principles molecular dynamics (MD) simulations of D diffusion in liquid Li. Predictions of Li erosion from a mixed Li/D material are also developed that include formation of lithium deuteride (LiD). The erosion rate of Li from LiD is predicted to be significantly lower than from pure Li. This prediction is tested in the Magnum-PSI linear plasma device at ion fluxes of 10(23)-10(24) m(-2) s(-1) and Li surface temperatures. 800 degrees C. Li/LiD coatings ranging in thickness from 0.2 to 500 mu m are studied. The dynamic D/Li concentrations are inferred via diffusion simulations. The pure Li erosion rate remains greater than Langmuir Law evaporation, as expected. For mixed-material Li/LiD surfaces, the erosion rates are reduced, in good agreement with modelling in almost all cases. These results imply that the temperature limit for a Li-coated PFC may be significantly higher than previously imagined.
C1 [Abrams, T.; Jaworski, M. A.; Kaita, R.; Stotler, D. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Chen, M.; Carter, E. A.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
[De Temmerman, G.; Morgan, T. W.; van den Berg, M. A.; van der Meiden, H. J.] DIFFER Dutch Inst Fundamental Energy Res, FOM Inst, Trilateral Euregio Cluster, Associate EURATOM FOM, NL-3430 BE Nieuwegein, Netherlands.
RP Abrams, T (reprint author), Oak Ridge Inst Sci & Educ, Oak Ridge, TN 37830 USA.
EM abramst@fusion.gat.com
RI Morgan, Thomas/B-3789-2017; Chen, Mohan/F-4621-2017
OI Morgan, Thomas/0000-0002-5066-015X; Chen, Mohan/0000-0002-8071-5633
FU US DOE [DE-AC02-09CH11466]; US DOE Fusion Energy Sciences Fellowship;
Stichting voor Fundamenteel Onderzoek der Materie (FOM) - Nederlandse
Organisatie voor Wetenschappelijk Onderzoek (NWO)
FX This work was supported by US DOE contract DE-AC02-09CH11466 and the US
DOE Fusion Energy Sciences Fellowship. FOM authors are supported by the
Stichting voor Fundamenteel Onderzoek der Materie (FOM), which is
financially supported by the Nederlandse Organisatie voor
Wetenschappelijk Onderzoek (NWO).
NR 38
TC 2
Z9 2
U1 2
U2 13
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 016022
DI 10.1088/0029-5515/56/1/016022
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400027
ER
PT J
AU Bertelli, N
Jaeger, EF
Hosea, JC
Phillips, CK
Berry, L
Bonoli, PT
Gerhardt, SP
Green, D
LeBlanc, B
Perkins, RJ
Qin, CM
Pinsker, RI
Prater, R
Ryan, PM
Taylor, G
Valeo, EJ
Wilson, JR
Wright, JC
Zhang, XJ
AF Bertelli, N.
Jaeger, E. F.
Hosea, J. C.
Phillips, C. K.
Berry, L.
Bonoli, P. T.
Gerhardt, S. P.
Green, D.
LeBlanc, B.
Perkins, R. J.
Qin, C. M.
Pinsker, R. I.
Prater, R.
Ryan, P. M.
Taylor, G.
Valeo, E. J.
Wilson, J. R.
Wright, J. C.
Zhang, X. J.
TI Full wave simulations of fast wave efficiency and power losses in the
scrape-off layer of tokamak plasmas in mid/high harmonic and minority
heating regimes
SO NUCLEAR FUSION
LA English
DT Article
DE fast wave; heating losses; scrape-off layer; HHFW; ICRH; SOL; power
losses
ID ALCATOR C-MOD; DIII-D TOKAMAK; NSTX; PERFORMANCE; DEVICE
AB Several experiments on different machines and in different fast wave (FW) heating regimes, such as hydrogen minority heating and high harmonic fast waves (HHFW), have found strong interaction between radio-frequency (RF) waves and the scrape-off layer (SOL) region. This paper examines the propagation and the power loss in the SOL by using the full wave code AORSA, in which the edge plasma beyond the last closed flux surface (LCFS) is included in the solution domain and a collisional damping parameter is used as a proxy to represent the real, and most likely nonlinear, damping processes. 2D and 3D AORSA results for the National Spherical Torus eXperiment (NSTX) have shown a strong transition to higher SOL power losses (driven by the RF field) when the FW cut-off is removed from in front of the antenna by increasing the edge density. Here, full wave simulations have been extended for 'conventional' tokamaks with higher aspect ratios, such as the DIII-D, Alcator C-Mod, and EAST devices. DIII-D results in HHFW regime show similar behavior found in NSTX and NSTX-U, consistent with previous DIII-D experimental observations. In contrast, a different behavior has been found for C-Mod and EAST, which operate in the minority heating regime.
C1 [Bertelli, N.; Hosea, J. C.; Phillips, C. K.; Gerhardt, S. P.; LeBlanc, B.; Perkins, R. J.; Taylor, G.; Valeo, E. J.; Wilson, J. R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA.
[Jaeger, E. F.] XCEL Engn Inc, Oak Ridge, TN 37830 USA.
[Berry, L.; Green, D.; Ryan, P. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Bonoli, P. T.; Wright, J. C.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA.
[Qin, C. M.; Zhang, X. J.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Peoples R China.
[Pinsker, R. I.; Prater, R.] Gen Atom Co, San Diego, CA 92186 USA.
RP Bertelli, N (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA.
EM nbertell@pppl.gov
FU U.S. Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-FC02-01ER54648, DE-AC02-09CH11466, DE-AC05-00OR22725,
DE-AC02-05CH11231]
FX This material is based upon work supported by the U.S. Department of
Energy, Office of Science, Office of Fusion Energy Sciences under
contract numbers DE-FC02-01ER54648, DE-AC02-09CH11466,
DE-AC05-00OR22725, and DE-AC02-05CH11231.
NR 35
TC 1
Z9 1
U1 2
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 016019
DI 10.1088/0029-5515/56/1/016019
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400024
ER
PT J
AU Chen, M
Abrams, T
Jaworski, MA
Carter, EA
AF Chen, Mohan
Abrams, T.
Jaworski, M. A.
Carter, Emily A.
TI Rock-salt structure lithium deuteride formation in liquid lithium with
high-concentrations of deuterium: a first-principles molecular dynamics
study
SO NUCLEAR FUSION
LA English
DT Article
DE liquid lithium; lithium deuteride; diffusivity; phase transition;
nucleation; molecular dynamics; density funtional theory
ID GENERALIZED GRADIENT APPROXIMATION; EMBEDDED-ATOM METHOD; MOLTEN
LITHIUM; ALKALI-METALS; ELECTRON-GAS; TEMPERATURE; PRESSURE; HYDROGEN;
DENSITY; SYSTEMS
AB Because of lithium's possible use as a first wall material in a fusion reactor, a fundamental understanding of the interactions between liquid lithium (Li) and deuterium (D) is important. We predict structural and dynamical properties of liquid Li samples with high concentrations of D, as derived from first-principles molecular dynamics simulations. Liquid Li samples with four concentrations of inserted D atoms (LiD beta, beta = 0.25, 0.50, 0.75, and 1.00) are studied at temperatures ranging from 470 to 1143 K. Densities, diffusivities, pair distribution functions, bond angle distribution functions, geometries, and charge transfer between Li and D atoms are calculated and analyzed. The analysis suggests liquid-solid phase transitions can occur at some concentrations and temperatures, forming rock-salt LiD within liquid Li. We also observe formation of some D-2 molecules at high D concentrations.
C1 [Chen, Mohan; Carter, Emily A.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
[Abrams, T.; Jaworski, M. A.] Princeton Plasma Phys Lab, Princeton, NJ 08544 USA.
[Carter, Emily A.] Princeton Univ, Andlinger Ctr Energy & Environm, Princeton, NJ 08544 USA.
[Carter, Emily A.] Princeton Univ, Program Appl & Computat Math, Princeton, NJ 08544 USA.
RP Chen, M (reprint author), Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA.
EM eac@princeton.edu
RI Chen, Mohan/F-4621-2017
OI Chen, Mohan/0000-0002-8071-5633
FU Office of Fusion Energy Sciences, U.S. Department of Energy
[DE-SC0008598]
FX The authors are grateful for discussions with Prof. A.Z.
Panagiotopoulos, Prof. P.G. Debenedetti, and Dr. F.H. Stillinger. The
authors thank Ms. N. Baughman and Mr. W.C. Witt for help with editing
this manuscript. This work was supported by the Office of Fusion Energy
Sciences, U.S. Department of Energy under Award DE-SC0008598. All
computations were performed at the Terascale Infrastructure for
Groundbreaking Research in Science and Engineering (TIGRESS) high
performance computing center at Princeton University.
NR 56
TC 1
Z9 1
U1 3
U2 14
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 016020
DI 10.1088/0029-5515/56/1/016020
PG 13
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400025
ER
PT J
AU Ding, R
Stangeby, PC
Rudakov, DL
Elder, JD
Tskhakaya, D
Wampler, WR
Kirschner, A
McLean, AG
Guo, HY
Chan, VS
Snyder, PB
AF Ding, R.
Stangeby, P. C.
Rudakov, D. L.
Elder, J. D.
Tskhakaya, D.
Wampler, W. R.
Kirschner, A.
McLean, A. G.
Guo, H. Y.
Chan, V. S.
Snyder, P. B.
TI Simulation of gross and net erosion of high-Z materials in the DIII-D
divertor
SO NUCLEAR FUSION
LA English
DT Article
DE erosion; redeposition; high-Z material
ID PLASMA-WALL TRANSITION; MAGNETIC-FIELD; TUNGSTEN; CODE; MOLYBDENUM;
TRANSPORT; DEVICES; CARBON; ITER
AB The three-dimensional Monte Carlo code ERO has been used to simulate dedicated DIII-D experiments in which Mo and W samples with different sizes were exposed to controlled and well-diagnosed divertor plasma conditions to measure the gross and net erosion rates. Experimentally, the net erosion rate is significantly reduced due to the high local redeposition probability of eroded high-Z materials, which according to the modelling is mainly controlled by the electric field and plasma density within the Chodura sheath. Similar redeposition ratios were obtained from ERO modelling with three different sheath models for small angles between the magnetic field and the material surface, mainly because of their similar mean ionization lengths. The modelled redeposition ratios are close to the measured value. Decreasing the potential drop across the sheath can suppress both gross and net erosion because sputtering yield is decreased due to lower incident energy while the redeposition ratio is not reduced owing to the higher electron density in the Chodura sheath. Taking into account material mixing in the ERO surface model, the net erosion rate of high-Z materials is shown to be strongly dependent on the carbon impurity concentration in the background plasma; higher carbon concentration can suppress net erosion. The principal experimental results such as net erosion rate and profile and redeposition ratio are well reproduced by the ERO simulations.
C1 [Ding, R.; Guo, H. Y.; Chan, V. S.; Snyder, P. B.] Gen Atom Co, San Diego, CA 92186 USA.
[Ding, R.; Guo, H. Y.] Chinese Acad Sci, Inst Plasma Phys, Hefei 230031, Anhui, Peoples R China.
[Ding, R.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA.
[Stangeby, P. C.; Elder, J. D.] Univ Toronto, Inst Aerosp Studies, Toronto, ON M3H 5T6, Canada.
[Rudakov, D. L.] Univ Calif San Diego, La Jolla, CA 92093 USA.
[Tskhakaya, D.] TU Wien, Inst Appl Phys, Fus OAW, A-1040 Vienna, Austria.
[Tskhakaya, D.] Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria.
[Wampler, W. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
[Kirschner, A.] Forschungszentrum Julich, Inst Energy & Climate Res Plasma Phys, D-52425 Julich, Germany.
[McLean, A. G.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
RP Ding, R (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
EM rding@ipp.ac.cn
FU US Department of Energy, Office of Science, Office of Fusion Energy
Sciences; US Department of Energy Office of Advanced Scientific
Computing Research [DE-FC02-04ER54698, DE-FG02-07ER54917,
DE-AC52-07NA27344]; US Department of Energy's National Nuclear Security
Administration [DE-AC04-94AL85000]; National Magnetic Confinement Fusion
Science Program of China [2013GB107004]; National Natural Science
Foundation of China [11375010]; Sino-German Center for Research
Promotion [GZ769]; [FWF P26544-N27]
FX This material is based upon work supported by the US Department of
Energy, Office of Science, Office of Fusion Energy Sciences and Office
of Advanced Scientific Computing Research through the Scientific
Discovery through Advanced Computing (SciDAC) project on Plasma-Surface
Interactions, using the DIII-D National Fusion Facility, a DOE Office of
Science user facility, under Awards DE-FC02-04ER54698,
DE-FG02-07ER54917, and DE-AC52-07NA27344. DIII-D data shown in this
paper can be obtained in digital format by following the links at
https://fusion.gat.com/global/D3D_DMP. Sandia National Laboratories is a
multi-program laboratory managed and operated by Sandia Corporation, a
wholly owned subsidiary of Lockheed Martin Corporation, for the US
Department of Energy's National Nuclear Security Administration under
contract DE-AC04-94AL85000. The first author acknowledges the supports
by the National Magnetic Confinement Fusion Science Program of China
under contract Nos 2013GB107004, the National Natural Science Foundation
of China under Contract Nos 11375010, and the Sino-German Center for
Research Promotion under Contract No GZ769. D. Tskhakaya acknowledges
the support by the project FWF P26544-N27.
NR 31
TC 2
Z9 2
U1 5
U2 17
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 016021
DI 10.1088/0029-5515/56/1/016021
PG 10
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400026
ER
PT J
AU Howard, NT
Holland, C
White, AE
Greenwald, M
Candy, J
AF Howard, N. T.
Holland, C.
White, A. E.
Greenwald, M.
Candy, J.
TI Multi-scale gyrokinetic simulation of tokamak plasmas: enhanced heat
loss due to cross-scale coupling of plasma turbulence
SO NUCLEAR FUSION
LA English
DT Article
DE gyrokinetics; plasma turbulence; validation; multi-scale; multiscale
ID ELECTRON-TEMPERATURE-GRADIENT; ZONAL FLOWS; TRANSPORT; CONFINEMENT
AB The transport of heat in laboratory and astrophysical plasmas is dominated by the complex nonlinear dynamics of plasma turbulence. In magnetically confined plasmas used for fusion energy research, turbulence is responsible for cross-field transport that limits the performance of tokamak reactors. We report a set of novel gyrokinetic simulations that capture ion and electron-scale turbulence simultaneously, revealing the dynamics of cross-scale energy transfer and zonal flow modification that give rise to heat losses. Multi-scale simulations are required to match experimental ion and electron heat fluxes and electron profile stiffness, establishing the applicability of the newly discovered physics to experiment. Importantly, these results provide a likely explanation for the loss of electron heat from tokamak plasmas, the 'great unsolved problem' (Bachelor et al (2007 Plasma Sci. Technol. 9 312-87)) in plasma turbulence and the projected dominant loss channel in ITER.
C1 [Howard, N. T.] Oak Ridge Inst Sci Educ, Oak Ridge, TN 37831 USA.
[Holland, C.] Univ Calif San Diego, La Jolla, CA 92093 USA.
[White, A. E.; Greenwald, M.] MIT, Cambridge, MA 02139 USA.
[Candy, J.] Gen Atom, San Diego, CA 92121 USA.
RP Howard, NT (reprint author), Oak Ridge Inst Sci Educ, Oak Ridge, TN 37831 USA.
EM nthoward@psfc.mit.edu
FU DOE [DE-FC02-99ER54512-CMOD]; Office of Science of the US Department of
Energy [DE-AC02-05CH11231]
FX This work was supported by DOE contract - DE-FC02-99ER54512-CMOD and in
part by an appointment to the US DOE Fusion Energy Postdoctoral Research
Program administered by ORISE. Simulations were carried out at the
National Energy Research Scientific Computing Center, supported by the
Office of Science of the US Department of Energy under contract number
DE-AC02-05CH11231 and as part of research for the Center for Simulation
of Plasma Microturbulence (CSPM).
NR 44
TC 12
Z9 12
U1 5
U2 9
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 014004
DI 10.1088/0029-5515/56/1/014004
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400005
ER
PT J
AU King, JD
Strait, EJ
Ferraro, NM
Hanson, JM
Haskey, SR
Lanctot, MJ
Liu, YQ
Logan, N
Paz-Soldan, C
Shiraki, D
Turnbull, AD
AF King, J. D.
Strait, E. J.
Ferraro, N. M.
Hanson, J. M.
Haskey, S. R.
Lanctot, M. J.
Liu, Y. Q.
Logan, N.
Paz-Soldan, C.
Shiraki, D.
Turnbull, A. D.
TI Landau resonant modification of multiple kink mode contributions to 3D
tokamak equilibria
SO NUCLEAR FUSION
LA English
DT Article
DE tokamaks; equilibrium; magnetohydrodynamics; kinks; kinetic effects
ID PLASMAS
AB Detailed measurements of the plasma's response to applied magnetic perturbations provide experimental evidence that the form of three-dimensional (3D) tokamak equilibria, with toroidal mode number n = 1, is determined by multiple stable kink modes at high-pressure. For pressures greater than the ideal magnetohydrodynamic (MHD) stability limit, as calculated without a stabilizing wall, the 3D structure transitions in a way that is qualitatively predicted by an extended MHD model that includes kinetic wave-particle interactions. These changes in poloidal mode structure are correlated with the proximity of rotation profiles to thermal ion bounce and the precession drift frequencies suggesting that these kinetic resonances are modifying the relative amplitudes of the stable modes. These results imply that each kink may eventually be independently controlled.
C1 [King, J. D.; Strait, E. J.; Ferraro, N. M.; Lanctot, M. J.; Paz-Soldan, C.; Turnbull, A. D.] Gen Atom, San Diego, CA 92186 USA.
[Hanson, J. M.] Columbia Univ, New York, NY 10027 USA.
[Haskey, S. R.] Australian Natl Univ, Res Sch Phys Sci & Engn, Plasma Res Lab, Canberra, ACT 0200, Australia.
[Liu, Y. Q.] Culham Sci Ctr, Culham Ctr Fus Energy, Abingdon OX14 3DB, Oxon, England.
[Logan, N.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
[Shiraki, D.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP King, JD (reprint author), Gen Atom, San Diego, CA 92186 USA.
EM josh.king@science.doe.gov
RI Lanctot, Matthew J/O-4979-2016
OI Lanctot, Matthew J/0000-0002-7396-3372
FU US Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-FC02-04ER54698, DE-FG02-04ER54761, DE-AC02-09CH11466,
DE-AC05-00OR23100]
FX This material is based upon work supported by the US Department of
Energy, Office of Science, Office of Fusion Energy Sciences, using the
DIII-D National Fusion Facility, a DOE Office of Science user facility,
under Awards DE-FC02-04ER54698, DE-FG02-04ER54761, DE-AC02-09CH11466,
and DE-AC05-00OR23100. DIII-D data shown in this paper can be obtained
in digital format by following the links at
https://fusion.gat.com/global/D3D_DMP. The authors wish to thank Z. Wang
and F. Turco for their MARS-F/K support.
NR 29
TC 1
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U1 1
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 014003
DI 10.1088/0029-5515/56/1/014003
PG 5
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400004
ER
PT J
AU Peebles, J
McGuffey, C
Krauland, CM
Jarrott, LC
Sorokovikova, A
Wei, MS
Park, J
Chen, H
McLean, HS
Wagner, C
Spinks, M
Gaul, EW
Dyer, G
Hegelich, BM
Martinez, M
Donovan, M
Ditmire, T
Krasheninnikovand, SI
Beg, FN
AF Peebles, J.
McGuffey, C.
Krauland, C. M.
Jarrott, L. C.
Sorokovikova, A.
Wei, M. S.
Park, J.
Chen, H.
McLean, H. S.
Wagner, C.
Spinks, M.
Gaul, E. W.
Dyer, G.
Hegelich, B. M.
Martinez, M.
Donovan, M.
Ditmire, T.
Krasheninnikovand, S. I.
Beg, F. N.
TI Impact of pre-plasma on fast electron generation and transport from
short pulse, high intensity lasers
SO NUCLEAR FUSION
LA English
DT Article
DE laser plasma interaction; inertial confinement fusion; pre-plasma
ID ABSORPTION; IGNITION; LIGHT
AB Previous experiments and modeling examining the impact of an underdense, pre-formed plasma in laser-plasma interactions have shown that the fast electrons are generated with energies higher than predicted by ponderomotive scaling [4, 3-14]. We report on experiments using the Texas Petawatt high intensity (150 fs, 1.5 x 10(20) W cm(-2)) laser pulse, which were conducted to examine the mechanism for accelerating these high energy electrons. These experiments gauge the impact a controlled low density pre-formed plasma has on electron generation with a shorter time scale than previous experiments, 150-180 fs. Electron temperatures measured via magnetic spectrometer on experiment were found to be independent of preformed plasma. Supplemental computational results using 1D PIC simulations predict that super-ponderomotive electrons are generated inside a potential well in the pre-plasma [1]. However, while the potential well is established around 150 fs, the electrons require at least an additional 50 fs to be trapped and heated inside it.
C1 [Peebles, J.; McGuffey, C.; Krauland, C. M.; Jarrott, L. C.; Sorokovikova, A.; Krasheninnikovand, S. I.; Beg, F. N.] Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92093 USA.
[Wei, M. S.] Gen Atom, San Diego, CA 92121 USA.
[Park, J.; Chen, H.; McLean, H. S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.
[Wagner, C.; Spinks, M.; Gaul, E. W.; Dyer, G.; Hegelich, B. M.; Martinez, M.; Donovan, M.; Ditmire, T.] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA.
RP Peebles, J (reprint author), Univ Calif San Diego, Energy Res Ctr, San Diego, CA 92093 USA.
OI Peebles, Jonathan/0000-0001-6488-3277
NR 30
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U1 5
U2 23
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 016007
DI 10.1088/0029-5515/56/1/016007
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400012
ER
PT J
AU Petty, CC
Kinsey, JE
Holcomb, CT
DeBoo, JC
Doyle, EJ
Ferron, JR
Garofalo, AM
Hyatt, AW
Jackson, GL
Luce, TC
Murakami, M
Politzer, PA
Reimerdes, H
AF Petty, C. C.
Kinsey, J. E.
Holcomb, C. T.
DeBoo, J. C.
Doyle, E. J.
Ferron, J. R.
Garofalo, A. M.
Hyatt, A. W.
Jackson, G. L.
Luce, T. C.
Murakami, M.
Politzer, P. A.
Reimerdes, H.
TI High-beta, steady-state hybrid scenario on DIII-D
SO NUCLEAR FUSION
LA English
DT Article
DE steady state tokamak; hybrid; advanced tokamak
ID CYCLOTRON CURRENT DRIVE; HIGH-PERFORMANCE DISCHARGES; INTERNAL TRANSPORT
BARRIER; NEOCLASSICAL TEARING MODE; FUSION POWER-PLANT; ASDEX UPGRADE; D
TOKAMAK; BOOTSTRAP CURRENT; COMPLETE SUPPRESSION; IGNITION TOKAMAK
AB The potential of the hybrid scenario (first developed as an advanced inductive scenario for high fluence) as a regime for high-beta, steady-state plasmas is demonstrated on the DIII-D tokamak. These experiments show that the beneficial characteristics of hybrids, namely safety factor >= 1 with low central magnetic shear, high stability limits and excellent confinement, are maintained when strong central current drive (electron cyclotron and neutral beam) is applied to increase the calculated non-inductive fraction to approximate to 100% (approximate to 50% bootstrap current). The best discharges achieve normalized beta of 3.4, IPB98(y,2) confinement factor of 1.4, surface loop voltage of 0.01 V, and nearly equal electron and ion temperatures at low collisionality. A 0D physics model shows that steady-state hybrid operation with Q(fus) similar to 5 is feasible in FDF and ITER. The advantage of the hybrid scenario as an advanced tokamak regime is that the external current drive can be deposited near the plasma axis where the efficiency is high; additionally, good alignment between the current drive and plasma current profiles is not necessary as the poloidal magnetic flux pumping self-organizes the current density profile in hybrids with an m/n = 3/2 tearing mode.
C1 [Petty, C. C.; DeBoo, J. C.; Ferron, J. R.; Garofalo, A. M.; Hyatt, A. W.; Jackson, G. L.; Luce, T. C.; Politzer, P. A.] Gen Atom Co, San Diego, CA 92186 USA.
[Kinsey, J. E.] CompX, Del Mar, CA USA.
[Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA USA.
[Doyle, E. J.] Univ Calif Los Angeles, Los Angeles, CA USA.
[Murakami, M.] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Reimerdes, H.] Ctr Rech Phys Plasmas, Lausanne, Switzerland.
RP Petty, CC (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA.
EM petty@fusion.gat.com
FU US Department of Energy, Office of Science, Office of Fusion Energy
Sciences [DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-08ER54984,
DE-AC05-00OR22725, DE-FG02-04ER54761]
FX This material is based upon work supported by the US Department of
Energy, Office of Science, Office of Fusion Energy Sciences, using the
DIII-D National Fusion Facility, a DOE Office of Science user facility,
under Awards DE-FC02-04ER54698, DE-AC52-07NA27344, DE-FG02-08ER54984,
DE-AC05-00OR22725, and DE-FG02-04ER54761. DIII-D data shown in this
paper can be obtained in digital format by following the links at
https://fusion.gat.com/global/D3D_DMP.
NR 97
TC 2
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U1 1
U2 10
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 016016
DI 10.1088/0029-5515/56/1/016016
PG 16
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400021
ER
PT J
AU Qin, H
Liu, J
Xiao, JY
Zhang, RL
He, Y
Wang, YL
Sun, YJ
Burby, JW
Ellison, L
Zhou, Y
AF Qin, Hong
Liu, Jian
Xiao, Jianyuan
Zhang, Ruili
He, Yang
Wang, Yulei
Sun, Yajuan
Burby, Joshua W.
Ellison, Leland
Zhou, Yao
TI Canonical symplectic particle-in-cell method for long-term large-scale
simulations of the Vlasov-Maxwell equations
SO NUCLEAR FUSION
LA English
DT Article
DE particle-in-cell simulations; Vlasov-Maxwell equations; canonical
symplectic algorithm
ID CONTINUOUS HAMILTONIAN SYSTEM; INTEGRATION; ALGORITHMS
AB Particle-in-cell (PIC) simulation is the most important numerical tool in plasma physics. However, its long-term accuracy has not been established. To overcome this difficulty, we developed a canonical symplectic PIC method for the Vlasov-Maxwell system by discretising its canonical Poisson bracket. A fast local algorithm to solve the symplectic implicit time advance is discovered without root searching or global matrix inversion, enabling applications of the proposed method to very large-scale plasma simulations with many, e.g. 10(9), degrees of freedom. The long-term accuracy and fidelity of the algorithm enables us to numerically confirm Mouhot and Villani's theory and conjecture on nonlinear Landau damping over several orders of magnitude using the PIC method, and to calculate the nonlinear evolution of the reflectivity during the mode conversion process from extraordinary waves to Bernstein waves.
C1 [Qin, Hong; Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; He, Yang; Wang, Yulei] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China.
[Qin, Hong; Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; He, Yang; Wang, Yulei] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.
[Qin, Hong; Burby, Joshua W.; Ellison, Leland; Zhou, Yao] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA.
[Liu, Jian; Xiao, Jianyuan; Zhang, Ruili; Wang, Yulei] Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China.
[Sun, Yajuan] Chinese Acad Sci, Acad Math & Syst Sci, LSEC, Beijing 100190, Peoples R China.
RP Qin, H (reprint author), Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China.
EM hongqin@ustc.edu.cn
FU ITER-China Program [2015GB111003, 2014GB124005, 2013GB111000];
JSPS-NRF-NSFC A3 Foresight Program in the field of Plasma Physics
[NSFC-11261140328]; CAS Program for Interdisciplinary Collaboration
Team; Geo-Algorithmic Plasma Simulator (GAPS) project; US Department of
Energy [DE-AC02-09CH11466]
FX This research is supported by the ITER-China Program (2015GB111003,
2014GB124005, 2013GB111000), the JSPS-NRF-NSFC A3 Foresight Program in
the field of Plasma Physics (NSFC-11261140328), the CAS Program for
Interdisciplinary Collaboration Team, the Geo-Algorithmic Plasma
Simulator (GAPS) project and the US Department of Energy
(DE-AC02-09CH11466).
NR 37
TC 0
Z9 0
U1 6
U2 23
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 014001
DI 10.1088/0029-5515/56/1/014001
PG 7
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400002
ER
PT J
AU Shi, YJ
Ko, SH
Kwon, JM
Ko, WH
Diamond, PH
Yi, S
Ida, K
Lee, KD
Jeong, JH
Seo, SH
Hahn, SH
Yoon, SW
Bae, YS
Terzolo, L
Yun, GS
Bitter, M
Hill, K
AF Shi, Y. J.
Ko, S. H.
Kwon, J. M.
Ko, W. H.
Diamond, P. H.
Yi, S.
Ida, K.
Lee, K. D.
Jeong, J. H.
Seo, S. H.
Hahn, S. H.
Yoon, S. W.
Bae, Y. S.
Terzolo, L.
Yun, G. S.
Bitter, M.
Hill, K.
TI Toroidal rotation profile structure in KSTAR L-mode plasmas with mixed
heating by NBI and ECH
SO NUCLEAR FUSION
LA English
DT Article
DE toroidal rotation; KSTAR; ECH; L-mode
ID H-MODE; INJECTION; TOKAMAKS; SYSTEM
AB The structure of the toroidal rotation profile with mixed heating by neutral beam injection (NBI) and electron cyclotron resonance heating (ECH) has been investigated in KSTAR L-mode plasmas. ECH with varying resonance layer positions was used for heating a mix control. The experimental results show that ECH causes a counter-current rotation increment both for off-axis and on-axis ECH heating. For L-mode plasmas, off-axis ECH produces larger counter-current rotation than on-axis ECH. Analysis of ion heat and momentum transport for the ECH L-mode plasmas shows that the electron temperature gradient is the main reason for the degradation of ion heat confinement and also the main driving force for the non-diffusive momentum flux. As a possible mechanism for the counter-current intrinsic torque with ECH, the transition of the turbulence mode from ion temperature gradient (ITG) to the trapped electron mode (TEM) with the resulting sign change of turbulence driven residual stress is suggested. A linear gyro-kinetic analysis shows the ITG. TEM transition occurs in a localized region during ECH injection, and the trend of TEM excitation is consistent with the observed macroscopic trend of the toroidal rotation.
C1 [Shi, Y. J.; Ko, S. H.; Kwon, J. M.; Ko, W. H.; Yi, S.; Lee, K. D.; Jeong, J. H.; Seo, S. H.; Hahn, S. H.; Yoon, S. W.; Bae, Y. S.; Terzolo, L.] Natl Fus Res Inst, Daejeon 34133, South Korea.
[Shi, Y. J.] Seoul Natl Univ, Dept Nucl Engn, Seoul 08826, South Korea.
[Shi, Y. J.] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Peoples R China.
[Diamond, P. H.] Univ Calif San Diego, CMTFO, San Diego, CA 92093 USA.
[Diamond, P. H.] Univ Calif San Diego, CASS, San Diego, CA 92093 USA.
[Ida, K.] Natl Inst Fus Sci, Toki, Gifu 5095292, Japan.
[Yun, G. S.] Pohang Univ Sci & Technol, Dept Phys, Pohang 37673, South Korea.
[Bitter, M.; Hill, K.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA.
RP Shi, YJ (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 08826, South Korea.
EM yjshi@ipp.ac.cn
RI Ida, Katsumi/E-4731-2016
OI Ida, Katsumi/0000-0002-0585-4561
FU World Class Institute (WCI) Program of the National Research Foundation
of Korea (NRF) - Ministry of Education, Science and Technology of Korea
(MEST) (NRF Grant) [WCI 2009-001]; US Department of Energy (DOE)
[DE-FG02-04ER54738]; CMTFO
FX The authors thank the participants of the 4th APTWG workshop, 25th IAEA
FEC and 13th Transport and Confinement Topic Group Meeting of ITPA for
helpful discussions and encouragement. Also, S.H. Ko is grateful to J.
Candy for useful discussion and suggestion on the GYRO analysis. This
work was partly supported by the World Class Institute (WCI) Program of
the National Research Foundation of Korea (NRF) funded by the Ministry
of Education, Science and Technology of Korea (MEST) (NRF Grant No. WCI
2009-001) and the US Department of Energy (DOE) under Award Number
DE-FG02-04ER54738 and CMTFO.
NR 34
TC 3
Z9 3
U1 2
U2 12
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0029-5515
EI 1741-4326
J9 NUCL FUSION
JI Nucl. Fusion
PD JAN 1
PY 2016
VL 56
IS 1
AR 016014
DI 10.1088/0029-5515/56/1/016014
PG 8
WC Physics, Fluids & Plasmas
SC Physics
GA DA6SB
UT WOS:000367934400019
ER
PT S
AU Gandolfi, S
Steiner, AW
AF Gandolfi, S.
Steiner, A. W.
GP IOP
TI Neutron matter, symmetry energy and neutron stars
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Ciencia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID EQUATION-OF-STATE; MONTE-CARLO CALCULATIONS; MASS-RADIUS RELATION; DENSE
MATTER; NUCLEI; DENSITIES; SPECTRA
AB Recent progress in quantum Monte Carlo with modern nucleon-nucleon interactions have enabled the successful description of properties of light nuclei and neutron-rich matter. Of particular interest is the nuclear symmetry energy, the energy cost of creating an isospin asymmetry, and its connection to the structure of neutron stars. Combining these advances with recent observations of neutron star masses and radii gives insight into the equation of state of neutron-rich matter near and above the saturation density. In particular, neutron star radius measurements constrain the derivative of the symmetry energy.
C1 [Gandolfi, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
[Steiner, A. W.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA.
[Steiner, A. W.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA.
RP Gandolfi, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA.
OI Gandolfi, Stefano/0000-0002-0430-9035
NR 42
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 2016
VL 665
AR 012063
DI 10.1088/1742-6596/665/1/012063
PG 8
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600063
ER
PT S
AU Isaak, J
Beller, J
Fiori, E
Glorius, J
Krticka, M
Loher, B
Pietralla, N
Romig, C
Rusev, G
Savran, D
Scheck, M
Silva, J
Sonnabend, K
Tonchev, AP
Tornow, W
Weller, HR
Zweidinger, M
AF Isaak, J.
Beller, J.
Fiori, E.
Glorius, J.
Krticka, M.
Loeher, B.
Pietralla, N.
Romig, C.
Rusev, G.
Savran, D.
Scheck, M.
Silva, J.
Sonnabend, K.
Tonchev, A. P.
Tornow, W.
Weller, H. R.
Zweidinger, M.
GP IOP
TI Investigation of the Photon Strength Function in Te-130
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID DIPOLE RESONANCE
AB The dipole strength distribution of Te-130 was investigated with the method of Nuclear Resonance Fluorescence using continuous-energy bremsstrahlung at the Darmstadt High Intensity Photon Setup and quasi-monoenergetic photons at the High Intensity (gamma) over right arrow -Ray Source. The average decay properties were determined between 5.50 and 8.15 MeV and compared to simulations within the statistical model.
C1 [Isaak, J.; Fiori, E.; Loeher, B.; Savran, D.; Silva, J.] GSI Helmholtzzentrum Schwerionenforsch GmbH, ExtreMe Matter Inst EMMI, Darmstadt, Germany.
[Isaak, J.; Fiori, E.; Loeher, B.; Savran, D.; Silva, J.] GSI Helmholtzzentrum Schwerionenforsch GmbH, Div Res, Darmstadt, Germany.
[Isaak, J.; Fiori, E.; Loeher, B.; Savran, D.; Silva, J.] FIAS, Frankfurt, Germany.
[Beller, J.; Pietralla, N.; Romig, C.; Scheck, M.; Zweidinger, M.] Tech Univ Darmstadt, Inst Kernphys, Darmstadt, Germany.
[Glorius, J.; Sonnabend, K.] Goethe Univ Frankfurt, Inst Angew Phys, Frankfurt, Germany.
[Krticka, M.] Charles Univ Prague, Fac Math & Phys, Prague 8, Czech Republic.
[Rusev, G.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA.
[Scheck, M.] Univ West Scotland, Sch Engn, Paisley PA1 2BE, Renfrew, Scotland.
[Scheck, M.] Scottish Univ Phys Alliance, SUPA, Glasgow G12 8QQ, Lanark, Scotland.
[Tonchev, A. P.] Lawrence Livermore Natl Lab, Phys Div, Livermore, CA 94550 USA.
[Tornow, W.; Weller, H. R.] Triangle Univ Nucl Lab, Durham, NC 27708 USA.
[Tornow, W.; Weller, H. R.] Duke Univ, Dept Phys, Durham, NC 27708 USA.
RP Isaak, J (reprint author), GSI Helmholtzzentrum Schwerionenforsch GmbH, ExtreMe Matter Inst EMMI, Darmstadt, Germany.
EM j.isaak@gsi.de
NR 15
TC 0
Z9 0
U1 3
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012039
DI 10.1088/1742-6596/665/1/012039
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600039
ER
PT S
AU Nsangu, CT
Laird, AM
Parikh, A
Adsley, P
Birch, MD
Chen, AA
Faestermann, T
Fox, SP
Fulton, BR
Hertenberger, R
Irvine, D
Kay, BP
Longland, R
Manwell, S
Murphy, ASJ
Schmitt, K
de Sereville, N
Tomlinson, JR
Wirth, HF
AF Nsangu, C. T.
Laird, A. M.
Parikh, A.
Adsley, P.
Birch, M. D.
Chen, A. A.
Faestermann, T.
Fox, S. P.
Fulton, B. R.
Hertenberger, R.
Irvine, D.
Kay, B. P.
Longland, R.
Manwell, S.
Murphy, A. St J.
Schmitt, K.
de Sereville, N.
Tomlinson, J. R.
Wirth, H-F
GP IOP
TI The Ne-20(d,p)Ne-21 transfer reaction in relation to the s-process
abundances
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
AB A study of the Ne-20(d,p)Ne-21 transfer reaction was performed using the Quadrupole Dipole Dipole Dipole (Q3D) magnetic spectrograph in Garching, Germany. The experiment probed excitation energies in Ne-21 ranging from 6.9 MeV to 8.5 MeV. The aim was to investigate the spectroscopic information of Ne-21 within the Gamow window of core helium burning in massive stars. Further information in this region will help reduce the uncertainties on the extrapolation down to Gamow window cross sections of the O-17(alpha,gamma)Ne-21 reaction. In low metallicity stars, this reaction has a direct impact on s-process abundances by determining the fate of O-16 as either a neutron poison or a neutron absorber.
The experiment used a 22-MeV deuteron beam, with intensities varying from 0.5-1 mu A, and an implanted target of Ne-20 of 7 mu g/cm(2) in 40 mu g/cm(2) carbon foils. Sixteen Ne-21 peaks have been identified in the E-x = 6.9-8.5 MeV range, of which only thirteen peaks correspond to known states. Only the previously-known E-x = 7.960 MeV state was observed within the Gamow window.
C1 [Nsangu, C. T.; Laird, A. M.; Adsley, P.; Fox, S. P.; Fulton, B. R.; Kay, B. P.; Tomlinson, J. R.] Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England.
[Parikh, A.; Longland, R.] Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08036 Barcelona, Spain.
[Parikh, A.] Inst Estudis Espacials Catalunya, E-08034 Barcelona, Spain.
[Birch, M. D.; Chen, A. A.; Irvine, D.; Manwell, S.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada.
[Faestermann, T.; Hertenberger, R.; Wirth, H-F] Munchner Univ, Maier Leibnitz Lab, D-85748 Garching, Germany.
[Murphy, A. St J.] Univ Edinburgh, Sch Phys & Astron, SUPA, Edinburgh EH9 3JZ, Midlothian, Scotland.
[Schmitt, K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[de Sereville, N.] Univ Paris 11, CNRS, IN2P3, Inst Phys Nucl Orsay,UMR8608, F-91406 Orsay, France.
RP Nsangu, CT (reprint author), Univ York, Dept Phys, York YO10 5DD, N Yorkshire, England.
EM tn507@york.ac.uk
RI Kay, Benjamin/F-3291-2011
OI Kay, Benjamin/0000-0002-7438-0208
NR 8
TC 0
Z9 0
U1 1
U2 3
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012026
DI 10.1088/1742-6596/665/1/012026
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600026
ER
PT S
AU Nusair, O
Bauder, W
Gyurky, G
Paul, M
Collon, P
Fulop, Z
Greene, J
Kinoshita, N
Palchan, T
Pardo, R
Rehm, KE
Scott, R
Vondrasek, R
AF Nusair, O.
Bauder, W.
Gyuerky, G.
Paul, M.
Collon, P.
Fueloep, Zs
Greene, J.
Kinoshita, N.
Palchan, T.
Pardo, R.
Rehm, K. E.
Scott, R.
Vondrasek, R.
GP IOP
TI Accelerator Mass Spectrometry in Laboratory Nuclear Astrophysics
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID P-PROCESS NUCLEOSYNTHESIS; REACTION-RATES; CROSS-SECTION; MODEL
AB The extreme sensitivity and discrimination power of accelerator mass spectrometry (AMS) allows for the search and the detection of rare nuclides either in natural samples or produced in the laboratory. At Argonne National Laboratory, we are developing an AMS setup aimed in particular at the detection of medium and heavy nuclides, relying on the high ion energy achievable with the ATLAS superconducting linear accelerator and on gas-filled magnet isobaric separation. The setup was recently used for the detection of the Sm-146 p-process nuclide and for a new determination of the Sm-146 half-life (68.7 My). AMS plays an important role in the measurement of stellar nuclear reaction cross sections by the activation method, extending thus the technique to the study of production of long-lived radionuclides. Preliminary measurements of the Sm-147(gamma, n) Sm-146 are described. A measurement of the Nd-142(alpha, beta) Sm-146 and Nd-142(alpha, n) Sm-145 reactions is in preparation. A new laser-ablation method for the feeding of the Electron Cyclotron Resonance (ECR) ion source is described.
C1 [Nusair, O.; Greene, J.; Palchan, T.; Pardo, R.; Rehm, K. E.; Scott, R.; Vondrasek, R.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA.
[Bauder, W.; Collon, P.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA.
[Gyuerky, G.; Fueloep, Zs] MTA Atomki, H-4001 Debrecen, Hungary.
[Paul, M.] Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel.
[Kinoshita, N.] Univ Tsukuba, Res Facil Ctr Sci & Technol, Tsukuba, Ibaraki, Japan.
RP Paul, M (reprint author), Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel.
EM paul@vms.huji.ac.il
RI Fulop, Zsolt/B-2262-2008
NR 19
TC 0
Z9 0
U1 4
U2 7
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012076
DI 10.1088/1742-6596/665/1/012076
PG 7
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600076
ER
PT S
AU Palumbo, A
AF Palumbo, A.
GP IOP
TI EMPIRE: A code for nuclear astrophysics
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Ciencia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID REACTION-RATES; NUCLEOSYNTHESIS; MODEL
AB The nuclear reaction code EMPIRE is presented as a useful tool for nuclear astrophysics. EMPIRE combines a variety of the reaction models with a comprehensive library of input parameters providing a diversity of options for the user. With exclusion of the direct-semidirect capture all reaction mechanisms relevant to the nuclear astrophysics energy range of interest are implemented in the code. Comparison to experimental data show consistent agreement for all relevant channels.
C1 [Palumbo, A.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Palumbo, A (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM apalumbo@bnl.gov
NR 34
TC 0
Z9 0
U1 1
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012055
DI 10.1088/1742-6596/665/1/012055
PG 6
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600055
ER
PT S
AU Paris, M
Hale, G
Hayes-Sterbenz, A
Jungman, G
AF Paris, M.
Hale, G.
Hayes-Sterbenz, A.
Jungman, G.
GP IOP
TI R-matrix analysis of reactions in the B-9 compound system applied to the
Li-7 problem in BBN
SO NUCLEAR PHYSICS IN ASTROPHYSICS VI (NPA6)
SE Journal of Physics Conference Series
LA English
DT Proceedings Paper
CT 6th Nuclear Physics in Astrophysics Conference (NPA)
CY MAY 19-24, 2013
CL Hungarian Acad Sci, Inst Nucl Res, Lisbon, PORTUGAL
SP European Phys Soc, Nucl Phys Div, European Phys Soc, Sociedade Portuguesa Fisica, Sociedade Portuguesa Astronomia, Univ Lisboa, Centro Fisica Nucl, Univ Nova Lisboa, Faculdade Ciencias Tecnologia, Univ Coimbra, Departamento Fisica, Observatorio Astronomico Lisboa, Laboratorio Sistemas Instrumentacao Modelacao Ciencias Tecnologias Ambiente Espaco, ATHENA, JINA, Nucl Astropys Virtual Inst, Fundacao Cienceia Technologia, Helmholtz Int Ctr FAIR, EMMi, Baltic Sci Instruments, ATI Sistemas, HV, TAP Portugal
HO Hungarian Acad Sci, Inst Nucl Res
ID NUCLEAR-REACTIONS; RESONANCE; LITHIUM
AB Recent activity in solving the 'lithium problem' in big bang nucleosynthesis has focused on the role that putative resonances may play in resonance-enhanced destruction of Li-7. Particular attention has been paid to the reactions involving the B-9 compound nuclear system, d+Be-7 -> B-9. These reactions are analyzed via the multichannel, two-body unitary R-matrix method using the code EDA developed by Hale and collaborators. We employ much of the known elastic and reaction data, in a four-channel treatment. The data include elastic He-3+Li-6 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 an earlier 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, and previously unidentified resonances are noted. Our results show that there are no near d+Be-7 threshold resonances with widths that are 10's of keV and reduce the likelihood that a resonance-enhanced mass-7 destruction mechanism, as suggested in recently published work, can explain the Li-7 problem.
C1 [Paris, M.; Hale, G.; Hayes-Sterbenz, A.; Jungman, G.] Los Alamos Natl Lab, Nucl & Particle Phys T2, Astrophys & Cosmol, Los Alamos, NM 87545 USA.
RP Paris, M (reprint author), Los Alamos Natl Lab, Nucl & Particle Phys T2, Astrophys & Cosmol, POB 1663, Los Alamos, NM 87545 USA.
EM mparis@lanl.gov
OI Paris, Mark/0000-0003-0471-7896
NR 17
TC 0
Z9 0
U1 0
U2 2
PU IOP PUBLISHING LTD
PI BRISTOL
PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND
SN 1742-6588
J9 J PHYS CONF SER
PY 2016
VL 665
AR 012006
DI 10.1088/1742-6596/665/1/012006
PG 4
WC Astronomy & Astrophysics; Physics, Nuclear
SC Astronomy & Astrophysics; Physics
GA BE1NP
UT WOS:000368236600006
ER
PT J
AU Wang, YC
Zhang, Q
Liu, F
Wan, XJ
Kan, B
Feng, HR
Yang, X
Russell, TP
Chen, YS
AF Wang, Yunchuang
Zhang, Qian
Liu, Feng
Wan, Xiangjian
Kan, Bin
Feng, Huanran
Yang, Xuan
Russell, Thomas P.
Chen, Yongsheng
TI Alkylthio substituted thiophene modified benzodithiophene-based highly
efficient photovoltaic small molecules
SO ORGANIC ELECTRONICS
LA English
DT Article
DE Organic solar cell; Small molecule; Solution processed; Alkylthio chain
ID POLYMER SOLAR-CELLS; POWER CONVERSION EFFICIENCY; N-TYPE POLYMER;
10-PERCENT EFFICIENCY; DEVICE OPTIMIZATION; FULLERENE; ACCEPTOR; DONOR;
DITHIENOSILOLE; AGGREGATION
AB Two new small molecules, namely DRSBDTT-EH and DRSBDTT-BO, with alkylthio thienyl substituted benzodithiophene as the central unit and 3-ethylrhodanine as end groups, were designed and studied as the donors for solution processed organic solar cells. The optimized device based on DRSBDTT-EH bearing shorter alkylthio chain gave a power conversion efficiency (PCE) of 8.78%, which is slightly higher than that of device (8.53%) based on DRSBDIT-BO with longer alkylthio chain. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, State Key Lab, Tianjin 300071, Peoples R China.
[Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, Collaborat Innovat Ctr Chem Sci & Engn Tianjin, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China.
[Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, Coll Chem, Key Lab Funct Polymer Mat, Tianjin 300071, Peoples R China.
[Wang, Yunchuang; Zhang, Qian; Wan, Xiangjian; Kan, Bin; Feng, Huanran; Yang, Xuan; Chen, Yongsheng] Nankai Univ, Coll Chem, Ctr Nanoscale Sci & Technol, Inst Polymer Chem, Tianjin 300071, Peoples R China.
[Liu, Feng; Russell, Thomas P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA.
RP Chen, YS (reprint author), Nankai Univ, Coll Chem, Key Lab Funct Polymer Mat, Tianjin 300071, Peoples R China.
EM iamfengliu@gmail.com; xjwan@nankai.edu.cn; yschen99@nankai.edu.cn
RI Liu, Feng/J-4361-2014
OI Liu, Feng/0000-0002-5572-8512
FU MoST [2014CB643502]; NSFC [51373078, 51422304, 91433101]; PCSIRT
[IRT1257]; Polymer-Based Materials for Harvesting Solar Energy (PhaSE)
Energy Frontier Research Center - U.S. Department of Energy, Office of
Basic Energy Sciences [DE-SC0001087]; [13RCGFGX01121]
FX The authors gratefully acknowledge the financial support from MoST
(2014CB643502), NSFC (51373078, 51422304 and 91433101), PCSIRT (IRT1257)
and Tianjin city (13RCGFGX01121). TPR and FL were supported by
Polymer-Based Materials for Harvesting Solar Energy (PhaSE) Energy
Frontier Research Center funded by the U.S. Department of Energy, Office
of Basic Energy Sciences under award number DE-SC0001087.
NR 43
TC 7
Z9 7
U1 9
U2 37
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1566-1199
EI 1878-5530
J9 ORG ELECTRON
JI Org. Electron.
PD JAN
PY 2016
VL 28
BP 263
EP 268
DI 10.1016/j.orgel.2015.10.006
PG 6
WC Materials Science, Multidisciplinary; Physics, Applied
SC Materials Science; Physics
GA DA4MZ
UT WOS:000367775300039
ER
PT J
AU Johnston, SF
Cohen, MF
Torok, T
Meentemeyer, RK
Rank, NE
AF Johnston, Steven F.
Cohen, Michael F.
Torok, Tamas
Meentemeyer, Ross K.
Rank, Nathan E.
TI Host Phenology and Leaf Effects on Susceptibility of California Bay
Laurel to Phytophthora ramorum
SO PHYTOPATHOLOGY
LA English
DT Article
ID SUDDEN OAK DEATH; INVASIVE FOREST PATHOGEN; THEOBROMA-CACAO;
ENVIRONMENTAL-FACTORS; DISEASE PROGRESSION; IN-VITRO; OREGON;
RESISTANCE; INFESTANS; TRANSMISSION
AB Spread of the plant pathogen Phytophthora ramorum, causal agent of the forest disease sudden oak death, is driven by a few competent hosts that support spore production from foliar lesions. The relationship between traits of a principal foliar host, California bay laurel (Umbellularia californica), and susceptibility to P. ramorum infection were investigated with multiple P. ramorum isolates and leaves collected from multiple trees in leaf-droplet assays. We examined whether susceptibility varies with season, leaf age, or inoculum position. Bay laurel susceptibility was highest during spring and summer and lowest in winter. Older leaves (>1 year) were more susceptible than younger ones (8 to 11 months). Susceptibility was greater at leaf tips and edges than the middle of the leaf. Leaf surfaces wiped with 70% ethanol were more susceptible to P. ramorum infection than untreated leaf surfaces. Our results indicate that seasonal changes in susceptibility of U. californica significantly influence P. ramorum infection levels. Thus, in addition to environmental variables such as temperature and moisture, variability in host plant susceptibility contributes to disease establishment of P. ramorum.
C1 [Johnston, Steven F.; Cohen, Michael F.; Rank, Nathan E.] Sonoma State Univ, Dept Biol, Rohnert Pk, CA 94928 USA.
[Torok, Tamas] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Meentemeyer, Ross K.] N Carolina State Univ, Dept Forestry & Environm Resources, Raleigh, NC 27606 USA.
RP Rank, NE (reprint author), Sonoma State Univ, Dept Biol, Rohnert Pk, CA 94928 USA.
EM rank@sonoma.edu
FU United States Department of Agriculture Forest Service, Pacific
Southwest Research Station; Northern California Botanists
FX We thank the following individuals for their assistance with this work.
E. Fichtner and K. Aram from the Rizzo lab at UC-Davis provided insights
into culturing and infectivity assay methodology. Sonoma State
University students J. Embree, C. Windsor, and E. Yamamoto helped with
laboratory work. Discussions with F. Lavoipierre, W. Dillon, and B.
Anacker helped situate the study within "the big picture" and W. Dillon
made the map. S. Schumacher provided valuable support and inspiration.
This manuscript was improved greatly by comments by two anonymous
reviewers and the Phytopathology editor. We gratefully acknowledge
financial support from the United States Department of Agriculture
Forest Service, Pacific Southwest Research Station and Northern
California Botanists.
NR 93
TC 0
Z9 0
U1 6
U2 20
PU AMER PHYTOPATHOLOGICAL SOC
PI ST PAUL
PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA
SN 0031-949X
EI 1943-7684
J9 PHYTOPATHOLOGY
JI Phytopathology
PD JAN
PY 2016
VL 106
IS 1
BP 47
EP 55
DI 10.1094/PHYTO-01-15-0016-R
PG 9
WC Plant Sciences
SC Plant Sciences
GA DB2DN
UT WOS:000368318600005
PM 26439707
ER
PT J
AU Browning, PK
Cardnell, S
Evans, M
Lucini, FA
Lukin, VS
McClements, KG
Stanier, A
AF Browning, P. K.
Cardnell, S.
Evans, M.
Lucini, F. Arese
Lukin, V. S.
McClements, K. G.
Stanier, A.
TI Two-fluid and magnetohydrodynamic modelling of magnetic reconnection in
the MAST spherical tokamak and the solar corona
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE magnetic reconnection; spherical tokamak; solar corona; flux ropes;
magnetic helicity; solar coronal heating
ID GUIDE FIELD; FLUX TUBES; RELAXATION; PLASMA
AB Twisted magnetic flux ropes are ubiquitous in laboratory and astrophysical plasmas, and the merging of such flux ropes through magnetic reconnection is an important mechanism for restructuring magnetic fields and releasing free magnetic energy. The merging-compression scenario is one possible start-up scheme for spherical tokamaks, which has been used on the Mega Amp Spherical Tokamak (MAST). Two current-carrying plasma rings or flux ropes approach each due to mutual attraction, forming a current sheet and subsequently merge through magnetic reconnection into a single plasma torus, with substantial plasma heating. Two-dimensional resistive and Hall-magnetohydrodynamic simulations of this process are reported, including a strong guide field. A model of the merging based on helicity-conserving relaxation to a minimum energy state is also presented, extending previous work to tight-aspect-ratio toroidal geometry. This model leads to a prediction of the final state of the merging, in good agreement with simulations and experiment, as well as the average temperature rise. A relaxation model of reconnection between two or more flux ropes in the solar corona is also described, allowing for different senses of twist, and the implications for heating of the solar corona are discussed.
C1 [Browning, P. K.; Cardnell, S.; Evans, M.; Lucini, F. Arese; Stanier, A.] Univ Manchester, Ctr Astrophys, Jodrell Bank, Manchester M13 9PL, Lancs, England.
[Lucini, F. Arese] CUNY, Grad Ctr, New York, NY 10016 USA.
[Lukin, V. S.] Natl Sci Fdn, Arlington, VA 22230 USA.
[McClements, K. G.] Culham Sci Ctr, CCFE, Abingdon OX14 3EA, Oxon, England.
[Stanier, A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
RP Browning, PK (reprint author), Univ Manchester, Ctr Astrophys, Jodrell Bank, Manchester M13 9PL, Lancs, England.
EM p.browning@manchester.ac.uk
FU UK STFC [ST/L000768/1]; US DoE Experimental Plasma Research program;
RCUK Energy Programme [EP/I501045]; Euratom
FX This work was funded by the UK STFC (grant number ST/L000768/1), the US
DoE Experimental Plasma Research program, the RCUK Energy Programme
under grant EP/I501045, and by Euratom. The views and opinions expressed
herein do not necessarily reflect those of the European Commission. Any
opinion, findings, and conclusions or recommendations expressed in this
material are those of the authors and do not necessarily reflect the
views of the National Science Foundation. We thank the referees for
their helpful comments.
NR 48
TC 3
Z9 3
U1 3
U2 5
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2016
VL 58
IS 1
SI SI
AR 014041
DI 10.1088/0741-3335/58/1/014041
PG 11
WC Physics, Fluids & Plasmas
SC Physics
GA DB4GQ
UT WOS:000368471900042
ER
PT J
AU Dance, RJ
Butler, NMH
Gray, RJ
MacLellan, DA
Rusby, DR
Scott, GG
Zielbauer, B
Bagnoud, V
Xu, H
Robinson, APL
Desjarlais, MP
Neely, D
McKenna, P
AF Dance, R. J.
Butler, N. M. H.
Gray, R. J.
MacLellan, D. A.
Rusby, D. R.
Scott, G. G.
Zielbauer, B.
Bagnoud, V.
Xu, H.
Robinson, A. P. L.
Desjarlais, M. P.
Neely, D.
McKenna, P.
TI Role of lattice structure and low temperature resistivity in
fast-electron-beam filamentation in carbon
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE laser-plasma interactions; fast-electron transport; dense plasma
ID TRANSPORT; IGNITION; PHYSICS; PLASMA
AB The influence of low temperature (eV to tens-of-eV) electrical resistivity on the onset of the filamentation instability in fast-electron transport is investigated in targets comprising of layers of ordered (diamond) and disordered (vitreous) carbon. It is shown experimentally and numerically that the thickness of the disordered carbon layer influences the degree of filamentation of the fast-electron beam. Strong filamentation is produced if the thickness is of the order of 60 mu m or greater, for an electron distribution driven by a sub-picosecond, mid-10(20) Wcm(-2) laser pulse. It is shown that the position of the vitreous carbon layer relative to the fast-electron source (where the beam current density and background temperature are highest) does not have a strong effect because the resistive filamentation growth rate is high in disordered carbon over a wide range of temperatures up to the Spitzer regime.
C1 [Dance, R. J.; Butler, N. M. H.; Gray, R. J.; MacLellan, D. A.; Rusby, D. R.; Xu, H.; Neely, D.; McKenna, P.] Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland.
[Rusby, D. R.; Scott, G. G.; Robinson, A. P. L.; Neely, D.] STFC Rutherford Appleton Lab, Cent Laser Facil, Didcot OX11 0QX, Oxon, England.
[Zielbauer, B.; Bagnoud, V.] GSI Helmholtzzentrum Schwerionenforsch GmbH, PHELIX Grp, D-64291 Darmstadt, Germany.
[Desjarlais, M. P.] Sandia Natl Labs, Albuquerque, NM 87185 USA.
RP Dance, RJ (reprint author), Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland.
EM paul.mckenna@strath.ac.uk
RI McKenna, Paul/B-9764-2009
OI McKenna, Paul/0000-0001-8061-7091
FU EPSRC [EP/J003832/1, EP/K022415/1]; STFC [ST/K502340/1]; LASERLAB-EUROPE
[284464]; Air Force Office of Scientific Research, Air Force Material
Command, USAF [FA8655-13-1-3008]
FX We gratefully acknowledge the PHELIX laser group at GSI and the use of
computing resources provided by STFC's e-Science project. This work is
financially supported by EPSRC (grant numbers EP/J003832/1 and
EP/K022415/1), STFC (grant number ST/K502340/1), LASERLAB-EUROPE (grant
agreement no. 284464, EC's Seventh Framework Programme) and the Air
Force Office of Scientific Research, Air Force Material Command, USAF,
under grant number FA8655-13-1-3008. Data associated with research
published in this paper is accessible at
http://dx.doi.org/10.15129/28c0a330-c993-44ba-811c-746a605774ef.
NR 34
TC 0
Z9 0
U1 1
U2 6
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2016
VL 58
IS 1
SI SI
AR 014027
DI 10.1088/0741-3335/58/1/014027
PG 9
WC Physics, Fluids & Plasmas
SC Physics
GA DB4GQ
UT WOS:000368471900028
ER
PT J
AU Proll, JHE
Mynick, HE
Xanthopoulos, P
Lazerson, SA
Faber, BJ
AF Proll, J. H. E.
Mynick, H. E.
Xanthopoulos, P.
Lazerson, S. A.
Faber, B. J.
TI TEM turbulence optimisation in stellarators
SO PLASMA PHYSICS AND CONTROLLED FUSION
LA English
DT Article
DE stellarator; turbulence; transport; optimisation
ID NEOCLASSICAL TRANSPORT; PHYSICS; GRADIENT; DESIGN; PLASMA; NCSX
AB With the advent of neoclassically optimised stellarators, optimising stellarators for turbulent transport is an important next step. The reduction of ion-temperature-gradient-driven turbulence has been achieved via shaping of the magnetic field, and the reduction of trapped-electron mode (TEM) turbulence is addressed in the present paper. Recent analytical and numerical findings suggest TEMs are stabilised when a large fraction of trapped particles experiences favourable bounce-averaged curvature. This is the case for example in Wendelstein 7-X (Beidler et al 1990 Fusion Technol. 17 148) and other Helias-type stellarators. Using this knowledge, a proxy function was designed to estimate the TEM dynamics, allowing optimal configurations for TEM stability to be determined with the STELLOPT (Spong et al 2001 Nucl. Fusion 41 711) code without extensive turbulence simulations. A first proof-of-principle optimised equilibrium stemming from the TEM-dominated stellarator experiment HSX (Anderson et al 1995 Fusion Technol. 27 273) is presented for which a reduction of the linear growth rates is achieved over a broad range of the operational parameter space. As an important consequence of this property, the turbulent heat flux levels are reduced compared with the initial configuration.
C1 [Proll, J. H. E.] Max Planck Princeton Ctr Plasma Phys, D-17491 Greifswald, Germany.
[Proll, J. H. E.; Xanthopoulos, P.] Max Planck Inst Plasma Phys, D-17491 Greifswald, Germany.
[Mynick, H. E.; Lazerson, S. A.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA.
[Faber, B. J.] Univ Wisconsin, HSX Plasma Lab, Madison, WI 53706 USA.
[Faber, B. J.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA.
RP Proll, JHE (reprint author), Max Planck Princeton Ctr Plasma Phys, Wendelsteinstr 1, D-17491 Greifswald, Germany.
EM jproll@ipp.mpg.de
RI Lazerson, Samuel/E-4816-2014;
OI Lazerson, Samuel/0000-0001-8002-0121; Faber,
Benjamin/0000-0003-4934-400X
FU Max Planck/Princeton Center for Plasma Physics; Euratom research and
training programme [633053]
FX Some of these simulations were performed on the HELIOS supercomputer,
Japan. One of the authors (J H E Proll) gratefully acknowledges funding
from the Max Planck/Princeton Center for Plasma Physics. This work has
been carried out within the framework of the EUROfusion Consortium and
has received funding from the Euratom research and training programme
2014-2018 under the grant agreement No 633053. The views and opinions
expressed herein do not necessarily reflect those of the European
Commission.
NR 48
TC 1
Z9 1
U1 5
U2 15
PU IOP PUBLISHING LTD
PI BRISTOL
PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
SN 0741-3335
EI 1361-6587
J9 PLASMA PHYS CONTR F
JI Plasma Phys. Control. Fusion
PD JAN
PY 2016
VL 58
IS 1
SI SI
AR 014006
DI 10.1088/0741-3335/58/1/014006
PG 9
WC Physics, Fluids & Plasmas
SC Physics
GA DB4GQ
UT WOS:000368471900007
ER
PT J
AU Xu, YW
Wang, WY
Wang, YY
Zhu, JH
Uhrig, D
Lu, XY
Keum, JK
Mays, JW
Hong, KL
AF Xu, Yuewen
Wang, Weiyu
Wang, Yangyang
Zhu, Jiahua
Uhrig, David
Lu, Xinyi
Keum, Jong K.
Mays, Jimmy W.
Hong, Kunlun
TI Fluorinated bottlebrush polymers based on poly(trifluoroethyl
methacrylate): synthesis and characterization
SO POLYMER CHEMISTRY
LA English
DT Article
ID TRANSFER RADICAL POLYMERIZATION; SURFACE-PROPERTIES; MOLECULAR BRUSHES;
BULK PROPERTIES; COPOLYMERS; POLY(MACROMONOMER)S; POLYPROPYLENE;
POLYETHYLENE; HOMOPOLYMER; ACRYLATE
AB Bottlebrush polymers are densely grafted polymers with long side-chains attached to a linear polymeric backbone. Their unusual structures endow them with a number of unique and potentially useful properties in solution, in thin films, and in bulk. Despite the many studies of bottlebrushes that have been reported, the structure-property relationships for this class of materials are still poorly understood. In this contribution, we report the synthesis and characterization of fluorinated bottlebrush polymers based on poly(2,2,2-trifluoroethyl methacrylate). The synthesis was achieved by atom transfer radical polymerization (ATRP) using an alpha-bromoisobutyryl bromide functionalized norbornene initiator, followed by ring-opening metathesis polymerization (ROMP) using a third generation Grubbs' catalyst (G3). Rheological characterization revealed that the bottlebrush polymer backbones remained unentangled as indicated by the lack of a rubbery plateau in the modulus. By tuning the size of the backbone of the bottlebrush polymers, near-spherical and elongated particles representing single brush molecular morphologies were observed in a good solvent as evidenced by TEM imaging, suggesting a semi-flexible nature of their backbones in dilute solutions. Thin films of bottlebrush polymers exhibited noticeably higher static water contact angles as compared to that of the macromonomer reaching the hydrophobic regime, where little differences were observed between each bottlebrush polymer. Further investigation by AFM revealed that the surface of the macromonomer film was relatively smooth; in contrast, the surface of bottlebrush polymers displayed certain degrees of nano-scale roughness (R-q = 0.8-2.4 nm). The enhanced hydrophobicity of these bottlebrushes likely results from the preferential enrichment of the fluorine containing end groups at the periphery of the molecules and the film surface due to the side chain crowding effect. Our results provide key information towards the design of architecturally tailored fluorinated polymers with desirable properties.
C1 [Xu, Yuewen; Wang, Yangyang; Zhu, Jiahua; Uhrig, David; Keum, Jong K.; Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
[Wang, Weiyu; Lu, Xinyi; Mays, Jimmy W.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.
[Keum, Jong K.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA.
RP Hong, KL (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.
EM yuewenxu@hotmail.com; hongkq@ornl.gov
RI Keum, Jong/N-4412-2015; Wang, Weiyu/A-6317-2016; Zhu,
Jiahua/F-3204-2012; Wang, Yangyang/A-5925-2010; Hong, Kunlun/E-9787-2015
OI Keum, Jong/0000-0002-5529-1373; Wang, Weiyu/0000-0002-2914-1638; Zhu,
Jiahua/0000-0003-2889-3421; Wang, Yangyang/0000-0001-7042-9804; Hong,
Kunlun/0000-0002-2852-5111
NR 42
TC 3
Z9 3
U1 10
U2 37
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1759-9954
EI 1759-9962
J9 POLYM CHEM-UK
JI Polym. Chem.
PY 2016
VL 7
IS 3
BP 680
EP 688
DI 10.1039/c5py01514f
PG 9
WC Polymer Science
SC Polymer Science
GA DA6ZJ
UT WOS:000367954100020
ER
PT J
AU Lai, CH
Xu, ZJ
Pan, WX
Sun, X
Storlie, C
Marcy, P
Dietiker, JF
Li, TW
Spenik, J
AF Lai, Canhai
Xu, Zhijie
Pan, Wenxiao
Sun, Xin
Storlie, Curtis
Marcy, Peter
Dietiker, Jean-Francois
Li, Tingwen
Spenik, James
TI Hierarchical calibration and validation of computational fluid dynamics
models for solid sorbent-based carbon capture
SO POWDER TECHNOLOGY
LA English
DT Article
DE Computational fluid dynamics carbon capture; hierarchical model
validation methodology; multiphase reactive flow models; Bayesian
calibration; MFIX
ID COMPUTER-SIMULATIONS; MESOPOROUS SILICA; IMMOBILIZED AMINE; CO2 CAPTURE;
BED; UNCERTAINTY; CHALLENGES; ADSORPTION; PARTICLES; TRANSPORT
AB To quantify the predictive confidence of a device scale solid sorbent-based carbon capture design where there is no direct experimental data available,,a hierarchical validation methodology-is first proposed. In this hierarchy, a sequence of increasingly complex "unit problems" are validated using a statistical calibration framework. This paper describes the computational fluid dynamics (CFD) multi-phase reactive flow simulations and the associated data flows within each unit problem. Each validation requires both simulated and physical data, so the bench-top experiments used in each increasingly complex stage were carefully designed to follow the same operating conditions as the simulation scenarios. A Bayesian calibration procedure is employed and the posterior model parameter distributions obtained at one unit-problem level are used as prior distributions for the same parameters in the next-tier simulations. Overall, the results have demonstrated that the calibrated multiphase reactive flow models within MFIX can be used to capture the bed pressure, temperature, CO2 capture capacity, and kinetics with quantitative accuracy. The CFD modeling methodology and associated uncertainty quantification techniques presented herein offer a solid framework for estimating the predictive confidence in the virtual scale up of a larger carbon capture device. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Lai, Canhai; Xu, Zhijie; Pan, Wenxiao; Sun, Xin] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Storlie, Curtis; Marcy, Peter] Los Alamos Natl Lab, Los Alamos, NM 87545 USA.
[Dietiker, Jean-Francois; Li, Tingwen; Spenik, James] Natl Energy Technol Lab, Morgantown, WV 26507 USA.
RP Lai, CH (reprint author), 902 Battelle Blvd, Richland, WA 99352 USA.
EM kevin.lai@pnnl.gov
RI Xu, Zhijie/A-1627-2009
OI Xu, Zhijie/0000-0003-0459-4531
FU U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of
Energy, Office of Fossil Energy's Carbon Capture Simulation Initiative
(CCSI) through National Energy Technology Laboratory [1830]
FX The Pacific Northwest National Laboratory is operated by the Battelle
Memorial Institute for the U.S. Department of Energy under Contact No.
of DE-AC05-76RL01830. This work was funded by the U.S. Department of
Energy, Office of Fossil Energy's Carbon Capture Simulation Initiative
(CCSI) (1830) through the National Energy Technology Laboratory.
NR 42
TC 2
Z9 2
U1 0
U2 4
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 0032-5910
EI 1873-328X
J9 POWDER TECHNOL
JI Powder Technol.
PD JAN
PY 2016
VL 288
BP 388
EP 406
DI 10.1016/j.powtec2015.11.021
PG 19
WC Engineering, Chemical
SC Engineering
GA DA5RW
UT WOS:000367861200043
ER
PT J
AU Vera, E
Alcantar-Vazquez, B
Duan, YH
Pfeiffer, H
AF Vera, Elizabeth
Alcantar-Vazquez, Brenda
Duan, Yuhua
Pfeiffer, Heriberto
TI Bifunctional application of sodium cobaltate as a catalyst and captor
through CO oxidation and subsequent CO2 chemisorption processes
SO RSC ADVANCES
LA English
DT Article
ID HIGH-TEMPERATURE; HYDROGEN-PRODUCTION; LI4SIO4-BASED SORBENTS; CAPTURE;
KINETICS; SORPTION; GAS; DECARBONATION; CARBONATION; ABSORPTION
AB The potential bifunctional mechanism of sodium cobaltate (NaCoO2) in the catalysis of CO oxidation and subsequent CO2 chemisorption was systematically analysed. Different catalytic and gravimetric experiments were performed dynamically and isothermally at multiple temperatures. Initially, the CO oxidation process was evaluated using a catalytic reactor connected to a gas chromatograph. Once the production of CO2 was confirmed, its chemisorption capacity with NaCoO2 was studied gravimetrically. Catalytic and gravimetric analysis products were studied by XRD, FTIR and SEM to elucidate the double reaction mechanism. Sodium cobaltate exhibited interesting catalytic properties over a wide temperature range, although the NaCoO2 crystalline structure and chemical composition changed during the CO2 capture process. Furthermore, all the experiments were theoretically supported by first-principles density functional theory thermodynamic calculations. The calculated thermodynamic properties of the CO oxidation and CO2 capture reactions with NaCoO2 under different oxidation conditions were in good agreement with the experimental measurements.
C1 [Vera, Elizabeth; Alcantar-Vazquez, Brenda; Pfeiffer, Heriberto] Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico.
[Duan, Yuhua] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA.
RP Pfeiffer, H (reprint author), Univ Nacl Autonoma Mexico, Inst Invest Mat, Circuito Exterior S-N,Cd Univ, Mexico City 04510, DF, Mexico.
EM pfeiffer@iim.unam.mx
FU SENER-CONACYT; PAPIIT-UNAM; CONACYT
FX This work was financially supported by the projects SENER-CONACYT and
PAPIIT-UNAM. E. Vera thanks to CONACYT for financial support. The
authors thank to O. Novelo, J. Romero and A. Tejeda for technical help.
NR 53
TC 3
Z9 3
U1 5
U2 12
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 2046-2069
J9 RSC ADV
JI RSC Adv.
PY 2016
VL 6
IS 3
BP 2162
EP 2170
DI 10.1039/c5ra22749f
PG 9
WC Chemistry, Multidisciplinary
SC Chemistry
GA DB0IF
UT WOS:000368191100059
ER
PT J
AU Pritychenko, B
AF Pritychenko, B.
TI Fractional authorship in nuclear physics
SO SCIENTOMETRICS
LA English
DT Article
DE Scientific authorship; Publication analysis; Nuclear data mining;
Relational databases
AB Large, multi-institutional groups or collaborations of scientists are engaged in nuclear physics research projects, and the number of research facilities is dwindling. These collaborations have their own authorship rules, and they produce a large number of highly-cited papers. Multiple authorship of nuclear physics publications creates a problem with the assessment of an individual author's productivity relative to his/her colleagues and renders ineffective a performance metrics solely based on annual publication and citation counts. Many institutions are increasingly relying on the total number of first-author papers; however, this approach becomes counterproductive for large research collaborations with an alphabetical order of authors. A concept of fractional authorship (the claiming of credit for authorship by more than one individual) helps to clarify this issue by providing a more complete picture of research activities. In the present work, nuclear physics fractional and total authorships have been investigated using nuclear data mining techniques. Historic total and fractional authorship averages have been extracted from the Nuclear Science References database, and the current range of fractional contributions has been deduced. The results of this study and their implications are discussed and conclusions presented.
C1 [Pritychenko, B.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
RP Pritychenko, B (reprint author), Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
EM pritychenko@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 author is grateful to U.S. Nuclear Data Program members and Dr. V.
Unferth (Viterbo University) for productive discussions and careful
reading of the manuscript and useful suggestions, respectively. This
work was funded 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 16
TC 2
Z9 2
U1 1
U2 8
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0138-9130
EI 1588-2861
J9 SCIENTOMETRICS
JI Scientometrics
PD JAN
PY 2016
VL 106
IS 1
BP 461
EP 468
DI 10.1007/s11192-015-1766-4
PG 8
WC Computer Science, Interdisciplinary Applications; Information Science &
Library Science
SC Computer Science; Information Science & Library Science
GA DA8SG
UT WOS:000368075800026
ER
PT J
AU Atanassova, I
Mills, G
AF Atanassova, Irena
Mills, Gary
TI Biogenic and Anthropogenic Lipid Markers in Sediments from a Marsh
Habitat Associated with the LCP Chemicals Superfund Site in Brunswick,
Georgia, USA
SO WATER AIR AND SOIL POLLUTION
LA English
DT Article
DE Sediments; Lipids; Alkylphenols; Sources; Contaminants
ID POLYCYCLIC AROMATIC-HYDROCARBONS; STABLE-ISOTOPE DELTA-C-13;
ORGANIC-MATTER; PETROLEUM-HYDROCARBONS; MARINE-SEDIMENTS; SURFACE
SEDIMENTS; GAS-CHROMATOGRAPHY; CULTIVATED SOIL; FATTY-ACIDS; INDICATORS
AB Sediment samples from a salt marsh habitat in the vicinity of Linden Chemical Plant (LCP) Superfund site in Brunswick Georgia, USA, were analyzed for the composition of total solvent extracts and sources of lipid compounds. Stable isotope analysis of carbon and nitrogen and gas chromatography-mass spectrometry analysis infer past multiple sources of organic matter (OM) from aquatic and terrestrial origin, e.g., phytoplankton, bacteria, and land plants, as well as anthropogenic contamination. The n-alkane and n-alkanol distributions in the sediment samples were dominated by long-chain homologues maximizing at C-25-C-27 for alkanes (carbon preference index (CPI) similar to 1) and C-32 for nalkanols indicating inputs from higher plants, but also microbial and petroleum-related sources. Fatty acid distribution was characterized by short-chain (< C-18) and branched homologues indicative of bacterial origin. The high abundance of dehydroabietic acid and anthropogenic contaminants, including alkylphenols, are indicative of the effects of past industrial activities in the LCP marsh area in Brunswick, Georgia.
C1 [Atanassova, Irena] N Poushkarov Inst Soil Sci Agrotechnol & Plant Pr, Sofia 1080, Bulgaria.
[Atanassova, Irena; Mills, Gary] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
RP Atanassova, I (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA.
EM i.d.atanassova@abv.bg; gmills@srel.uga.edu
FU SREL; Georgia University; Fulbright fellowship of DSc Irena Atanassova
FX We acknowledge the support of SREL, Georgia University and the Fulbright
fellowship of DSc Irena Atanassova.
NR 64
TC 0
Z9 0
U1 2
U2 2
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0049-6979
EI 1573-2932
J9 WATER AIR SOIL POLL
JI Water Air Soil Pollut.
PD JAN
PY 2016
VL 227
IS 1
DI 10.1007/s11270-015-2740-8
PG 13
WC Environmental Sciences; Meteorology & Atmospheric Sciences; Water
Resources
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences;
Water Resources
GA DA6FN
UT WOS:000367898100042
ER
PT J
AU Stavila, V
Parthasarathi, R
Davi, RW
El Gabaly, F
Sale, KL
Simmons, BA
Singh, S
Allendorf, MD
AF Stavila, Vitalie
Parthasarathi, Ramakrishnan
Davi, Ryan W.
El Gabaly, Farid
Sale, Kenneth L.
Simmons, Blake A.
Singh, Seema
Allendorf, Mark D.
TI MOF-Based Catalysts for Selective Hydrogenolysis of Carbon Oxygen Ether
Bonds
SO ACS CATALYSIS
LA English
DT Article
DE metal-organic frameworks; catalysis; C-O bond cleavage; hydrogenolysis;
aromatic ethers
ID METAL-ORGANIC FRAMEWORKS; ARYL ETHERS; HYDROGENATION; NICKEL;
ADSORPTION; NANOPARTICLES; CONVERSION; CHEMICALS; PORES
AB We demonstrate that metal organic frameworks (MOFs) can catalyze hydrogenolysis of aryl ether bonds under mild conditions. Mg-IRMOF-74(I) and Mg-IRMOF-74(II) are stable under reducing conditions and can cleave phenyl ethers containing beta-O-4, alpha-O-4, and 4-O-5 linkages to the corresponding hydrocarbons and phenols. Reaction occurs at 10 bar H-2 and 120 degrees C without added base. DFT-optimized structures and charge transfer analysis suggest that the MOF orients the substrate near Mg2+ ions on the pore walls. Ti and Ni doping further increase conversions to as high as 82% with 96% selectivity for hydrogenolysis versus ring hydrogenation. Repeated cycling induces no loss of activity, making this a promising route for mild aryl-ether bond scission.
C1 [Stavila, Vitalie; Parthasarathi, Ramakrishnan; Davi, Ryan W.; El Gabaly, Farid; Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema; Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA 94550 USA.
[Parthasarathi, Ramakrishnan; Sale, Kenneth L.; Simmons, Blake A.; Singh, Seema] Joint BioEnergy Inst, Emeryville, CA 94608 USA.
RP Stavila, V (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA.
EM vnstavi@sandia.gov; mdallen@sandia.gov
FU Sandia Laboratory Directed Research and Development Program; U.S.
Department of Energy's National Nuclear Security Administration
[DE-AC04-94AL85000]; DOE Joint BioEnergy Institute - U. S. Department of
Energy, Office of Science, Office of Biological and Environmental
Research [DE-AC02-05CH11231]
FX This work was supported by the Sandia Laboratory Directed Research and
Development Program. Sandia National Laboratories is a multiprogram
laboratory managed and operated by Sandia Corporation, a wholly owned
subsidiary of Lockheed Martin Corporation, for the U.S. Department of
Energy's National Nuclear Security Administration under contract
DE-AC04-94AL85000). A portion of this work was funded by the DOE Joint
BioEnergy Institute (http://www.jbei.org) supported by the U. S.
Department of Energy, Office of Science, Office of Biological and
Environmental Research, through contract DE-AC02-05CH11231 between
Lawrence Berkeley National Laboratory and the U. S. Department of
Energy.
NR 30
TC 5
Z9 5
U1 28
U2 129
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2016
VL 6
IS 1
BP 55
EP 59
DI 10.1021/acscatal.5b02061
PG 5
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800006
ER
PT J
AU Sasaki, K
Marinkovic, N
Isaacs, HS
Adzic, RR
AF Sasaki, Kotaro
Marinkovic, Nebojsa
Isaacs, Hugh S.
Adzic, Radoslav R.
TI Synchrotron-Based In Situ Characterization of Carbon-Supported Platinum
and Platinum Mono layer Electrocatalysts
SO ACS CATALYSIS
LA English
DT Article
DE carbon-supported platinum nanoparticles; platinum monolayer catalyst; in
situ X-ray absorption spectroscopy; in situ X-ray diffraction; platinum
oxides; place-exchange process
ID RAY-ABSORPTION SPECTROSCOPY; OXYGEN REDUCTION REACTION; OXIDE-FILM
FORMATION; FUEL-CELLS; MONOLAYER ELECTROCATALYSTS; CATALYSTS;
NANOPARTICLES; STABILITY; GROWTH; DISSOLUTION
AB A detailed understanding of oxidation/dissolution mechanisms of Pt is critical in designing durable catalysts for the oxygen reduction reaction (ORR), but exact mechanisms remain unclear. The present work explores the oxidation/dissolution of Pt and Pt monolayer (ML) electrocatalysts over a wide range of applied potentials using cells that facilitate in situ measurements by combining X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) measurements. The X-ray absorption near edge structure (XANES) measurement demonstrated that Pt nanoparticle surfaces were oxidized from metallic Pt to alpha-PtO2-type oxide during the potential sweep from 0.41 to 1.5 V, and the transition state of O or OH adsorption on Pt and the onset of the place exchange process were revealed by the delta mu (Delta mu) method. Only the top layers of Pt nanoparticles were oxidized, while the inner Pt atoms remained intact. At a higher potential over 1.9 V, alpha-PtO2-type surface oxides dissolve due to local acidification caused by the oxygen evolution reaction and carbon corrosion. Pt oxidation of Pt-ML on the Pd nanoparticle electrocatalyst is considerably hampered compared with the Pt/C catalyst, presumably because preferential Pd oxidation proceeds at the defects in Pt MLs up to 0.91 V and through 0 penetrated through the Pt MLs by the place exchange process above 1.11 V.
C1 [Sasaki, Kotaro; Isaacs, Hugh S.; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Marinkovic, Nebojsa] Columbia Univ, Chem Engn, New York, NY 10027 USA.
RP Sasaki, K (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM ksasaki@bnl.gov
FU US Department of Energy, Office of Basic Energy Science, Material
Science and Engineering Division, Division of Chemical Sciences,
Geosciences and Biosciences Division [DE-SC0012704]; Synchrotron
Catalysis Consortium, U.S. Department of Energy [DE-SC0012335]
FX This research was performed at Brookhaven National laboratory under
contract DE-SC0012704 with the US Department of Energy, Office of Basic
Energy Science, Material Science and Engineering Division, Division of
Chemical Sciences, Geosciences and Biosciences Division. Beamlines X18A,
X18B, and X19A at the NSLS, as well as BL 2-2 at the SSRL were supported
in part by the Synchrotron Catalysis Consortium, U.S. Department of
Energy Grant No DE-SC0012335.
NR 41
TC 8
Z9 8
U1 18
U2 79
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2016
VL 6
IS 1
BP 69
EP 76
DI 10.1021/acscatal.5b01862
PG 8
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800008
ER
PT J
AU Johnson, GR
Bell, AT
AF Johnson, Gregory R.
Bell, Alexis T.
TI Role of ZrO2 in Promoting the Activity and Selectivity of Co-Based
Fischer-Tropsch Synthesis Catalysts
SO ACS CATALYSIS
LA English
DT Article
DE Fischer-Tropsch synthesis; heterogeneous catalysis; cobalt; zirconium;
promotion
ID SUPPORTED COBALT CATALYSTS; TEMPERATURE-PROGRAMMED REDUCTION;
ZIRCONIA-MODIFIED ALUMINA; CO/GAMMA-AL2O3 CATALYSTS; CO/SIO2;
PERFORMANCE; WATER; H-2; HYDROGENATION; KINETICS
AB The effects of Zr promotion on the structure and performance of Co-based Fischer-Tropsch synthesis (FTS) catalysts were investigated. Inclusion of Zr in the catalysts was found to increase the FTS turnover frequency and the selectivity to C5+ hydrocarbons and to decrease the selectivity to methane under most operating conditions. These improvements to the catalytic performance are a function of Zr loading up to an atomic ratio of Zr/Co = 1.0, above which the product selectivity is insensitive to higher concentrations of the promoter. Characterization of the Co nanoparticles by different methods demonstrated that the optimal Zr loading corresponds to half monolayer coverage of the Co surface by the promoter. Measurements of the rate of FTS at different pressures and temperatures established that the kinetics data for both the Zr-promoted and unpromoted catalysts are described by a two-parameter Langmuir-Hinshelwood expression. The parameters used to fit this rate law to the experimental data indicate that the apparent rate coefficient and the CO adsorption constant for the Zr-promoted catalysts are higher than those for the unpromoted catalyst. Elemental mapping by means of STEM-EDS provided evidence that Zr is highly dispersed over the catalyst surface and has limited preference for association with the Co nanoparticles. In situ X-ray absorption spectroscopy confirmed the absence of mixing between the Zr and Co in the nanoparticles. These results suggest that Zr exists as a partial layer of ZrO2 on the surface of the Co metal nanoparticles. Accordingly, it is proposed that Zr promotion effects originate from sites of enhanced activity at the interface between Co and ZrO2. The possibility that ZrO2 acts as a Lewis acid to assist in CO dissociation as well as to increase the ratio of CO to H adsorbed on the catalyst surface is discussed.
C1 [Johnson, Gregory R.; Bell, Alexis T.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
[Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
EM bell@cchem.berkeley.edu
RI BM, MRCAT/G-7576-2011
FU BP through the XC2 catalysis program; Office of Science, Office of Basic
Energy Sciences; Division of Chemical Sciences, Geosciences, and
Biosciences of the U.S. Department of Energy at Lawrence Berkeley
National Laboratory [DE-AC02-05CH11231]; Office of Science, Office of
Basic Energy Sciences, of the U.S. Department of Energy
[DE-AC02-05CH11231]; DOE Office of Science [DE-AC02-06CH11357];
Northwestern University; E.I. DuPont de Nemours Co.; The Dow Chemical
Company; Department of Energy; MRCAT member institutions
FX The funding for this study was provided by BP through the XC2
catalysis program and by the Director, Office of Science, Office of
Basic Energy Sciences and by the Division of Chemical Sciences,
Geosciences, and Biosciences of the U.S. Department of Energy at
Lawrence Berkeley National Laboratory under Contract No.
DE-AC02-05CH11231. Work at the Molecular Foundry was supported by the
Office of Science, Office of Basic Energy Sciences, of the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231. This research
used resources of the Advanced Photon Source, a U.S. Department of
Energy (DOE) Office of Science User Facility operated for the DOE Office
of Science by Argonne National Laboratory under Contract No.
DE-AC02-06CH11357. Portions of this work were performed at the
DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at
Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by
Northwestern University, E.I. DuPont de Nemours & Co., and The Dow
Chemical Company. MRCAT operations are supported by the Department of
Energy and the MRCAT member institutions. The authors would like to
thank Dr. Konstantinos Goulas for his assistance with the XAS
experiments.
NR 53
TC 7
Z9 7
U1 15
U2 64
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2016
VL 6
IS 1
BP 100
EP 114
DI 10.1021/acscatal.5b02205
PG 15
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800012
ER
PT J
AU Lum, Y
Kwon, Y
Lobaccaro, P
Chen, L
Clark, EL
Bell, AT
Ager, JW
AF Lum, Yanwei
Kwon, Youngkook
Lobaccaro, Peter
Chen, Le
Clark, Ezra Lee
Bell, Alexis T.
Ager, Joel W.
TI Trace Levels of Copper in Carbon Materials Show Significant
Electrochemical CO2 Reduction Activity
SO ACS CATALYSIS
LA English
DT Article
DE CO2 electroreduction; Faradaic efficiency; electrocatalytic activity;
graphene oxide; carbon nanotubes
ID HYDROGEN EVOLUTION REACTION; SUPPORTED CU NANOPARTICLES; METALLIC
IMPURITIES; DIOXIDE REDUCTION; HYDROCARBON FUELS; ELECTRODES; NANOTUBES;
CATALYSTS; ELECTROREDUCTION; SURFACES
AB Carbon materials are frequently used as supports for electrocatalysts because they are conductive and have high surface area. However, recent studies have shown that these materials can contain significant levels of metallic impurities that can dramatically alter their electrochemical properties. Here, the electrocatalytic activity of pure graphite (PG), graphene oxide (GO), and carbon nanotubes (CNT) dispersed on glassy carbon (GC) are investigated for the electrochemical CO2 reduction reaction (CO2RR) in aqueous solution. It was observed that GO and CNT dispersed on GC all exhibit significant electrochemical activity that can be ascribed to impurities of Ni, Fe, Mn, and Cu. The level of Cu in GO can be particularly high and is the cause for the appearance of methane in the products produced over this material when it is used for the CO2RR. Washing these supports in ultrapure nitric acid is effective in removing the metal impurities and results in a reduction in the electrochemical activity of these forms of carbon. In particular, for GO, nearly all of the catalytically relevant metals can be removed. Electrochemical deposition of Cu on GO and PG supported on GC, and on GC itself, increased both the electrochemical activity of these materials and the production of methane via the CO2RR Particularly high rates of methane formation per unit of Cu mass were obtained for Cu electrodeposited on GO and PG supported on GC. We suggest that this high activity may be due to the preferential deposition of Cu onto defects present in the graphene sheets comprising these materials.
C1 [Lum, Yanwei; Kwon, Youngkook; Lobaccaro, Peter; Chen, Le; Clark, Ezra Lee; Bell, Alexis T.; Ager, Joel W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Lum, Yanwei; Kwon, Youngkook; Lobaccaro, Peter; Chen, Le; Clark, Ezra Lee; Ager, Joel W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.
[Lum, Yanwei; Ager, Joel W.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.
[Lobaccaro, Peter; Clark, Ezra Lee; Bell, Alexis T.] Univ Calif Berkeley, Dept Biomol & Chem Engn, Berkeley, CA 94720 USA.
RP Bell, AT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM alexbell@berkeley.edu; jwager@lbl.gov
FU Office of Science of the U.S. Department of Energy [DE-SC0004993];
California Energy Commission [500-11-023]; A*STAR National Science
Scholarship
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 design, construction, and operation of
the electrochemical cell were supported by the California Energy
Commission under agreement 500-11-023. Y.L. acknowledges the support of
an A*STAR National Science Scholarship. We thank Li Yang from Berkeley
Lab Earth Sciences Division for technical assistance with the ICP-MS
analysis.
NR 37
TC 8
Z9 8
U1 45
U2 183
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2016
VL 6
IS 1
BP 202
EP 209
DI 10.1021/acscatal.5b02399
PG 8
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800023
ER
PT J
AU Wang, CY
Garbarino, G
Allard, LF
Wilson, F
Busca, G
Flytzani-Stephanopoulos, M
AF Wang, Chongyang
Garbarino, Gabriella
Allard, Lawrence F.
Wilson, Faith
Busca, Guido
Flytzani-Stephanopoulos, Maria
TI Low-Temperature Dehydrogenation of Ethanol on Atomically Dispersed Gold
Supported on ZnZrOx
SO ACS CATALYSIS
LA English
DT Article
DE ethanol dehydrogenation; acetone; acetaldehyde; gold catalysts;
zirconia; zinc oxide
ID WATER-GAS SHIFT; METAL-OXIDE SURFACES; SELECTIVE OXIDATION;
HYDROGEN-PRODUCTION; CATALYTIC DECOMPOSITION; THERMODYNAMIC ANALYSIS;
REACTION-MECHANISM; COPPER-CATALYSTS; MIXED OXIDES; ZINC-OXIDE
AB Atomically dispersed gold supported on nanoscale ZnZrOx composite oxides was prepared and investigated in this work as a catalyst for the low-temperature ethanol dehydrogenation reactions. The composite ZnZrOx support disperses gold atomically and stabilizes it against growth much better than either of the neat oxides. Sequential ethanol conversion reactions to acetaldehyde and acetone take place on the Au/ZnZrOx catalysts within well-separated temperature windows over the range of tested temperatures (30-400 degrees C). ZnO modulates the acidity of the ZrO2 surface, and the extent of this was followed by isopropanol temperature-programmed desorption with online mass spectrometry (IPA-TPD/MS; and by diffuse reflectance UV-Vis-IR). Catalyst activity and selectivity were tested by temperature-programmed surface reaction (TPSR) and under steady-state reaction conditions. The work has demonstrated that ZnZrOx with optimized ZnO distribution preserves the active Au-O-x surface species under reaction conditions and suppresses undesired dehydration reactions. Addition of gold on the bare zirconia support passivates the acid sites catalyzing ethanol dehydration and introduces desired dehydrogenation sites at low temperatures (similar to 200 degrees C).
C1 [Wang, Chongyang; Garbarino, Gabriella; Wilson, Faith; Flytzani-Stephanopoulos, Maria] Tufts Univ, Dept Chem & Biol Engn, Medford, MA 02155 USA.
[Garbarino, Gabriella; Busca, Guido] Univ Genoa, Dept Civil Chem & Environm Engn DICCA, I-16129 Genoa, Italy.
[Allard, Lawrence F.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA.
RP Flytzani-Stephanopoulos, M (reprint author), Tufts Univ, Dept Chem & Biol Engn, 4 Colby St, Medford, MA 02155 USA.
EM mflytzan@tufts.edu
RI Garbarino, Gabriella/B-7976-2015
OI Garbarino, Gabriella/0000-0002-5590-6155
FU U.S. Department of Energy [DE-FG02-05ER15730]; University of Genoa; U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Vehicle Technologies Office, Propulsion Materials Program
FX We acknowledge the financial support of this work by the U.S. Department
of Energy under Grant No. DE-FG02-05ER15730. C.W. thanks Dr. Y. Zhang
and Dr. C. Settens at the Center for Material Science and Engineering of
MIT; and Dr. H. Lin at the Center for Nanoscale Systems of Harvard
University for their assistance with sample characterization. G.G.
acknowledges the University of Genoa for financial support to conduct
research at Tufts University. Aberration-corrected electron microscopy
research at Oak Ridge National Laboratory was sponsored by the U.S.
Department of Energy, Office of Energy Efficiency and Renewable Energy,
Vehicle Technologies Office, Propulsion Materials Program.
NR 62
TC 5
Z9 5
U1 32
U2 87
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2016
VL 6
IS 1
BP 210
EP 218
DI 10.1021/acscatal.5b01593
PG 9
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800024
ER
PT J
AU Mei, DH
Dagle, VL
Xing, R
Albrecht, KO
Dagle, RA
AF Mei, Donghai
Dagle, Vanessa Lebarbier
Xing, Rong
Albrecht, Karl O.
Dagle, Robert A.
TI Steam Reforming of Ethylene Glycol over MgAl2O4 Supported Rh, Ni, and Co
Catalysts
SO ACS CATALYSIS
LA English
DT Article
DE ethylene glycol; steam reforming; density functional theory; cobalt;
rhodium; nickel
ID DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE
METHOD; HYDROGEN-PRODUCTION; WATER DISSOCIATION; PLATINUM CATALYSTS; IR
CATALYSTS; BASIS-SET; SURFACES; REACTIVITY
AB Steam reforming of ethylene glycol (EG) over Mg,Al2O4 supported metal (15 wt % Ni, 5 wt % Rh, and IS wt % Co) catalysts was investigated using combined experimental and theoretical methods. Compared to highly active Rh and Ni catalysts with 100% conversion, the steam reforming activity of EG over the Co catalyst is comparatively lower with only 42% conversion under the same reaction conditions (500 degrees C, 1 atm, 119 000 h(-1), S/C = 3.3 mol). However, CH4 selectivity over the Co catalyst is remarkably lower. For example, by varying the gas hour space velocity (GHSV) such that complete conversion is achieved for all the catalysts, CH4 selectivity for the Co catalyst is only 8%, which is much lower than the equilibrium CH4 selectivity of similar to 24% obtained for both the Rh and Ni catalysts. Further studies show that varying H2O concentration over the Co catalyst has a negligible effect on activity, thus indicating zero-order dependence on H2O. These experimental results suggest that the supported Co catalyst is a promising EG steam reforming catalyst for high hydrogen production. To gain mechanistic insight for rationalizing the lower CH4 selectivity observed for the Co catalyst, the initial decomposition reaction steps of ethylene glycol via C-O, O-H, C-H, and C-C bond scissions on the Rh(111), Ni(111), and Co(0001) surfaces were investigated using density functional theory (DFT) calculations. Despite the fact that the bond scission sequence in the EG decomposition on the three metal surfaces varies, which leads to different reaction intermediates, the lower CH4 selectivity over the Co catalyst, as compared to the Rh and Ni catalysts, is primarily due to the higher barrier for CH4 formation. The higher S/C ratio enhances the Co catalyst stability, which can be elucidated by the facile water dissociation and an alternative reaction path to remove the CH species as a coking precursor via the HCOH formation.
C1 [Mei, Donghai] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Inst Integrated Catalysis, Richland, WA 99352 USA.
[Dagle, Vanessa Lebarbier; Xing, Rong; Albrecht, Karl O.; Dagle, Robert A.] Pacific NW Natl Lab, Energy & Environm Directorate, Inst Integrated Catalysis, Richland, WA 99352 USA.
RP Mei, DH (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Inst Integrated Catalysis, Richland, WA 99352 USA.
EM donghai.mei@pnnl.gov; robert.dagle@pnnl.gov
RI Mei, Donghai/A-2115-2012; Mei, Donghai/D-3251-2011
OI Mei, Donghai/0000-0002-0286-4182;
FU United States Department of Energy (DOE)'s Bioenergy Technologies Office
(BETO); Department of Energy's Office of Biological and Environmental
Research; Office of Science of the U.S. Department of Energy
[DE-AC02-05CH11231]
FX This work was financially supported by the United States Department of
Energy (DOE)'s Bioenergy Technologies Office (BETO) and performed at the
Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram
national laboratory operated for DOE by Battelle Memorial Institute.
Computing time and advanced catalyst characterization use was granted by
a user proposal at the William R. Wiley Environmental Molecular Sciences
Laboratory (EMSL). EMSL is a national scientific user facility sponsored
by the Department of Energy's Office of Biological and Environmental
Research and located at PNNL. This research used resources of the
National Energy Research Scientific Computing Center, a DOE Office of
Science User Facility supported by the Office of Science of the U.S.
Department of Energy under contract no. DE-AC02-05CH11231.
NR 51
TC 6
Z9 6
U1 8
U2 43
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2016
VL 6
IS 1
BP 315
EP 325
DI 10.1021/acscatal.5b01666
PG 11
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800035
ER
PT J
AU Nguyen-Phan, TD
Luo, S
Voychok, D
Llorca, J
Graciani, J
Sanz, JF
Sallis, S
Xu, WQ
Bai, JM
Piper, LFJ
Polyansky, DE
Fujita, E
Senanayake, SD
Stacchiola, DJ
Rodriguez, JA
AF Thuy-Duong Nguyen-Phan
Luo, Si
Voychok, Dimitriy
Llorca, Jordi
Graciani, Jesus
Fernandez Sanz, Javier
Sallis, Shawn
Xu, Wenqian
Bai, Jianming
Piper, Louis F. J.
Polyansky, Dmitry E.
Fujita, Etsuko
Senanayake, Sanjaya D.
Stacchiola, Dario J.
Rodriguez, Jose A.
TI Visible Light-Driven H-2 Production over Highly Dispersed Ruthenia on
Rutile TiO2 Nanorods
SO ACS CATALYSIS
LA English
DT Article
DE titanium; ruthenium; H-2 production; water splitting; heterojunction
ID TITANIUM-DIOXIDE NANOMATERIALS; PHOTOCATALYTIC OXIDATION;
CATALYTIC-PROPERTIES; HYDROGEN-PRODUCTION; PHASE-TRANSITION;
RAMAN-SPECTRA; METAL-OXIDE; RUO2; NANOPARTICLES; SURFACES
AB The immobilization of miniscule quantities of RuO2 (similar to 0.1%) onto one-dimensional (ID) TiO2 nanorods (NRs) allows H-2 evolution from water under visible light irradiation. Rod-like rutile TiO2 structures, exposing preferentially (110) surfaces, are shown to be critical for the deposition of RuO2 to enable photocatalytic activity in the visible region. The superior performance is rationalized on the basis of fundamental experimental studies and theoretical calculations, demonstrating that RuO2(110) grown as ID nanowires on rutile TiO2(110), which occurs only at extremely low loads of RuO2, leads to the formation of a heterointerface that efficiently adsorbs visible light. The surface defects, band gap narrowing, visible photoresponse, and favorable upward band bending at the heterointerface drastically facilitate the transfer and separation of photogenerated charge carriers.
C1 [Thuy-Duong Nguyen-Phan; Luo, Si; Voychok, Dimitriy; Polyansky, Dmitry E.; Fujita, Etsuko; Senanayake, Sanjaya D.; Stacchiola, Dario J.; Rodriguez, Jose A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
[Bai, Jianming] Brookhaven Natl Lab, Photon Sci Div, Upton, NY 11973 USA.
[Luo, Si; Voychok, Dimitriy; Rodriguez, Jose A.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11790 USA.
[Llorca, Jordi] Univ Politecn Cataluna, Inst Energy Technol, E-08028 Barcelona, Spain.
[Llorca, Jordi] Univ Politecn Cataluna, Ctr Res NanoEngn, E-08028 Barcelona, Spain.
[Graciani, Jesus; Fernandez Sanz, Javier] Univ Seville, Dept Phys Chem, E-41012 Seville, Spain.
[Sallis, Shawn; Piper, Louis F. J.] SUNY Binghamton, Mat Sci & Engn, Binghamton, NY 13902 USA.
[Xu, Wenqian] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA.
RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
EM djs@bnl.gov; rodrigez@bnl.gov
RI Stacchiola, Dario/B-1918-2009; Polyansky, Dmitry/C-1993-2009; Piper,
Louis/C-2960-2011; COST, CM1104/I-8057-2015; Nguyen Phan, Thuy
Duong/C-8751-2014; Senanayake, Sanjaya/D-4769-2009
OI Stacchiola, Dario/0000-0001-5494-3205; Polyansky,
Dmitry/0000-0002-0824-2296; Piper, Louis/0000-0002-3421-3210;
Senanayake, Sanjaya/0000-0003-3991-4232
FU U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences; Catalysis Science Program [DE-SC0012704]; Ministerio de
Economia y Competitividad, Spain [CTQ2015-64669-P]; EU COST [CM1104]; EU
FEDER; S3IP; Analytical and Diagnostics Laboratory at Binghamton
University
FX The research was performed at Brookhaven National Laboratory, supported
by the U.S. Department of Energy, Office of Science, Office of Basic
Energy Sciences, and Catalysis Science Program under contract No.
DE-SC0012704. This work used resources of the Center for Functional
Nanomaterials (CFN) and Advanced Photon Science - Argonne National
Laboratory (APS-ANL), which are DOE Office of Science User Facilities.
Dr. Viet Hung Pham (CFN) is acknowledged for Raman analysis. J.L. is
Serra Hunter Fellow and is grateful to ENE2014-61715-EXP and ICREA
Academia program. J. Graciani is grateful to the Ministerio de Economia
y Competitividad, Spain (grant CTQ2015-64669-P), EU COST CM1104, and EU
FEDER, for funding the theoretical calculations of this work.
Computational resources for these calculations were provided by the
Barcelona Supercomputing Center/Centro Nacional de Supercomputacion
(Spain). S.S. and L.F.J.P. acknowledge support from the S3IP and
Analytical and Diagnostics Laboratory at Binghamton University.
NR 51
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Z9 9
U1 16
U2 66
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2155-5435
J9 ACS CATAL
JI ACS Catal.
PD JAN
PY 2016
VL 6
IS 1
BP 407
EP 417
DI 10.1021/acscatal.5b02318
PG 11
WC Chemistry, Physical
SC Chemistry
GA DA3OK
UT WOS:000367706800045
ER
PT J
AU Yan, LS
Pu, YQ
Bowden, M
Ragauskas, AJ
Yang, B
AF Yan, Lishi
Pu, Yunqiao
Bowden, Mark
Ragauskas, Arthur J.
Yang, Bin
TI Physiochemical Characterization of Lignocellulosic Biomass Dissolution
by Flowthrough Pretreatment
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Flowthrough pretreatment; Poplar wood; Cellulose; Hemicellulose; Lignin;
Enzymatic hydrolysis; Depolymerization; Decrystallization
ID CORN STOVER; SODIUM-HYDROXIDE; X-RAY; HYDROLYSIS; WATER; CELLULOSE;
LIGNIN; XYLAN; ACID; DIFFRACTION
AB Comprehensive understanding of biomass solubilization chemistry in aqueous pretreatment such as water-only and dilute acid flowthrough pretreatment is of fundamental importance to achieve the goal of valorizing biomass to fermentable sugars and lignin for biofuels production. In this study, poplar wood was flow-through pretreated by water-only or 0.05% (w/w) sulfuric acid at different temperatures (220-270 degrees C), flow rate (25 mL/min), and reaction times (8-90 min), resulting in significant disruption of the lignocellulosic biomass. Ion chromatography (IC), Fourier transform infrared (FTIR) spectroscopy, X-ray diffraction (XRD) analysis, and solid state cross-polarization/magic angle spinning (CP/MAS) C-13 nuclear magnetic resonance (NMR) spectroscopy were applied to characterize the pretreated biomass whole slurries in order to reveal depolymerization as well as solubilization mechanism and identify unique dissolution structural features during these pretreatments. Results showed temperature-dependent cellulose decrystallization in flowthrough pretreatment. Crystalline cellulose was completely disrupted, and mostly converted amorphous cellulose and oligomers by water-only operation at 270 degrees C for 10 mm and by 0.05 wt % H2SO4 flowthrough pretreatment at 220 degrees C for 12 min. Flowthrough pretreatment with 0.05% (w/w) H2SO4 led to a greater disruption of structures in pretreated poplar at a lower temperature compared to water-only pretreatment.
C1 [Yan, Lishi; Yang, Bin] Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA.
[Yan, Lishi] Suzhou Univ Sci & Technol, Sch Chem Biol & Mat Engn, Suzhou 215009, Peoples R China.
[Pu, Yunqiao; Ragauskas, Arthur J.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA.
[Bowden, Mark] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA.
[Ragauskas, Arthur J.] Univ Tennessee, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37996 USA.
RP Yang, B (reprint author), Washington State Univ, Dept Biol Syst Engn, Bioprod Sci & Engn Lab, Richland, WA 99354 USA.
EM binyang@tricity.wsu.edu
RI Pu, Yunqiao/H-3206-2016;
OI Pu, Yunqiao/0000-0003-2554-1447; Ragauskas, Arthur/0000-0002-3536-554X;
yang, bin/0000-0003-1686-8800
FU DARPA Young Faculty Award [N66001-11-1-414]; Sun Grant-DOT Award
[T0013G-A-Task 8]; National Science Foundation [1258504]; U.S. DOE-EERE
[DE-EE0006112]; Department of Energy's Office of Biological and
Environmental Research (BER)
FX We are grateful to the DARPA Young Faculty Award No. N66001-11-1-414,
The Sun Grant-DOT Award No. T0013G-A-Task 8, the National Science
Foundation Award No. 1258504, and U.S. DOE-EERE No. DE-EE0006112 for
funding this research. Part of this work was conducted at the William R.
Wiley Environmental Molecular Sciences Laboratory (EMSL), a national
scientific user facility located at the Pacific Northwest National
Laboratory (PNNL) and sponsored by the Department of Energy's Office of
Biological and Environmental Research (BER). We also thank Dr. Hongfei
Wang and Ms. Marie S. Swita for insightful discussions.
NR 31
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PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD JAN
PY 2016
VL 4
IS 1
BP 219
EP 227
DI 10.1021/acssuschemeng.5b01021
PG 9
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA DA3OJ
UT WOS:000367706700023
ER
PT J
AU Chen, XW
Wang, W
Ciesielski, P
Trass, O
Park, S
Tao, L
Tucker, MP
AF Chen, Xiaowen
Wang, Wei
Ciesielski, Peter
Trass, Olev
Park, Sunkyu
Tao, Ling
Tucker, Melvin P.
TI Improving Sugar Yields and Reducing Enzyme Loadings in the Deacetylation
and Mechanical Refining (DMR) Process through Multistage Disk and Szego
Refining and Corresponding Techno-Economic Analysis
SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING
LA English
DT Article
DE Deacetylation; Alkaline pretreatment; Mechanical refining; Disk
refining; Szego milling; Ethanol; Sugar; Biorefinery; Techno-economic
analysis
ID CLEAN FRACTIONATION PRETREATMENT; CORN STOVER; ACID PRETREATMENT;
BIOMASS; DIGESTIBILITY; TECHNOLOGIES; HYDROLYSIS; PINE
AB Deacetylation and mechanical refining (DMR) has the potential to be a highly efficient biochemical conversion process for converting biomass to low toxicity, high concentration sugar streams. To increase the cost-effectiveness of the DMR process, improvements in enzymatic sugar yields are needed, in addition to reducing the refining energy consumed, and decreasing the enzyme usage. In this study, a second refining step utilizing a Szego mill was introduced, resulting in significant improvements in sugar yields in enzymatic hydrolysis at equivalent or lower refining energy inputs. The multistage DMR process increased the monomeric glucose and xylose yields to approximately 90% and 84%, respectively, with an energy consumption of 200 kWh/ODMT. SEM imaging revealed that Szego milling caused significant surface disruption and severe maceration and delamination of the biomass structure. Our results show that the DMR process is a very promising process for the biorefinery industry in terms of economic feasibility.
C1 [Chen, Xiaowen; Tao, Ling; Tucker, Melvin P.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA.
[Wang, Wei; Ciesielski, Peter] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA.
[Trass, Olev] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada.
[Park, Sunkyu] N Carolina State Univ, Dept Forest Biomat, Raleigh, NC 27695 USA.
RP Chen, XW (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.
EM Xiaowen.Chen@nrel.gov; Melvin.Tucker@nrel.gov
FU USA DOE's Bioenergy Technology Office
FX We greatly appreciate the funding support from USA DOE's Bioenergy
Technology Office.
NR 30
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U1 6
U2 12
PU AMER CHEMICAL SOC
PI WASHINGTON
PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA
SN 2168-0485
J9 ACS SUSTAIN CHEM ENG
JI ACS Sustain. Chem. Eng.
PD JAN
PY 2016
VL 4
IS 1
BP 324
EP 333
DI 10.1021/acssuschemeng.5b01242
PG 10
WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY;
Engineering, Chemical
SC Chemistry; Science & Technology - Other Topics; Engineering
GA DA3OJ
UT WOS:000367706700035
ER
PT J
AU Heitman, KN
Dahlgren, FS
Drexler, NA
Massung, RF
Behravesh, CB
AF Heitman, Kristen Nichols
Dahlgren, F. Scott
Drexler, Naomi A.
Massung, Robert F.
Behravesh, Casey Barton
TI Increasing Incidence of Ehrlichiosis in the United States: A Summary of
National Surveillance of Ehrlichia chaffeensis and Ehrlichia ewingii
Infections in the United States, 2008-2012
SO AMERICAN JOURNAL OF TROPICAL MEDICINE AND HYGIENE
LA English
DT Article
ID MOUNTAIN-SPOTTED-FEVER; HEALTH-CARE PROVIDERS; HUMAN MONOCYTIC
EHRLICHIOSIS; WHITE-TAILED DEER; TRANSPLANT RECIPIENT; GRANULOCYTIC
EHRLICHIOSIS; AMBLYOMMA-AMERICANUM; EMERGING PATHOGEN; CHILDREN;
DOXYCYCLINE
AB Human ehrlichiosis is a potentially fatal disease caused by Ehrlichia chaffeensis and Ehrlichia ewingii. Cases of ehrlichiosis are reported to Centers for Disease Control and Prevention through two national surveillance systems: Nationally Notifiable Diseases Surveillance System (NNDSS) and Case Report Forms. During 2008-2012, 4,613 cases of E. chaffeensis infections were reported through NNDSS. The incidence rate (IR) was 3.2 cases per million person-years (PYs). The hospitalization rate (HR) was 57% and the case fatality rate (CFR) was 1%. Children aged < 5 years had the highest CFR of 4%. During 2008-2012, 55 cases of E. ewingii infection were reported through NNDSS. The national IR was 0.04 cases per million PY. The HR was 77%; no deaths were reported. Immunosuppressive conditions were reported by 26% of cases. The overall rate for ehrlichiosis has increased 4-fold since 2000. Although previous literature suggests E. ewingii primarily affects those who are immunocompromised, this report shows most cases occurred among immunocompetent patients. This is the first report to show children aged < 5 years with ehrlichiosis have an increased CFR, relative to older patients. Ongoing surveillance and reporting of tick-borne diseases are critical to inform public health practice and guide disease treatment and prevention efforts.
C1 [Heitman, Kristen Nichols; Dahlgren, F. Scott; Drexler, Naomi A.; Massung, Robert F.; Behravesh, Casey Barton] Ctr Dis Control & Prevent, Rickettsial Zoonoses Branch, Atlanta, GA 30329 USA.
ORISE, Oak Ridge, TN USA.
RP Heitman, KN (reprint author), Ctr Dis Control & Prevent, 1600 Clifton Rd NE,MS A30, Atlanta, GA 30329 USA.
EM wwd7@cdc.gov; iot0@cdc.gov; isj3@cdc.gov; rfm2@cdc.gov; dlx9@cdc.gov
NR 48
TC 3
Z9 3
U1 2
U2 6
PU AMER SOC TROP MED & HYGIENE
PI MCLEAN
PA 8000 WESTPARK DR, STE 130, MCLEAN, VA 22101 USA
SN 0002-9637
EI 1476-1645
J9 AM J TROP MED HYG
JI Am. J. Trop. Med. Hyg.
PD JAN
PY 2016
VL 94
IS 1
BP 52
EP 60
DI 10.4269/ajtmh.15-0540
PG 9
WC Public, Environmental & Occupational Health; Tropical Medicine
SC Public, Environmental & Occupational Health; Tropical Medicine
GA DA3NX
UT WOS:000367705500009
ER
PT J
AU Kim, JS
Hwang, JS
Kim, ES
Kim, BJ
Oh, CH
AF Kim, Jae Soon
Hwang, Jin-Seok
Kim, Eung Soo
Kim, Byung Jun
Oh, Chang Ho
TI Experimental study on fundamental phenomena in HTGR small break
air-ingress accident
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE HTGR; Air ingress; Small break; Density gradient driven flow
AB This study experimentally investigates fundamental phenomena in the HTGR small break air-ingress accident. Several important parameters including density ratio, break angle, break size, and main flow velocity are considered in the measurement and the analysis. The test-section is made of a circular pipe with small holes drilled around the surface and it is installed in the helium/air flow circulation loop. Oxygen concentrations and flow rates are recorded during the tests with fixed break angles, break sizes, and flow velocities for measurement of the air-ingress rates. According to the experimental results, the higher density difference leads to the higher rates of air-ingress with large sensitivity of the break angles. It is also found that the break angle significantly affects the air-ingress rates, which is gradually increased from 0 degrees to 120 degrees and suddenly decreased to 180 degrees. The minimum air ingress rate is found at 00 and the maximum, at 110 degrees. The air-ingress rate increases with the break size due to the increased flow-exchange area. However, it is not directly proportional to the break area due to the complexity of the phenomena. The increased flow velocity in the channel inside enhances the air-ingress process. However, among all the parameters, the main flow velocity exhibits the lowest effect on this process. In this study, the Froude Number relevant to the small break air-ingress conditions are newly defined considering both heavy and light fluids, and break angles. Based on this definition, the experimental data can be well rearranged and collected. Finally, this study develops and proposes a non-dimensional parameter and a criteria for determination of the small break air-ingress flow regimes. As a result, the non-dimensional parameter higher than 0.49 indicates that the air-ingress is mainly controlled by density gradient effect. On the other hand, that lower than 0.47 indicates that the other effects such as inertia or diffusion are dominant air-ingress mechanisms. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Kim, Jae Soon; Hwang, Jin-Seok; Kim, Eung Soo] Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea.
[Kim, Byung Jun] Korea Inst Ind Technol, Busan 618230, South Korea.
[Oh, Chang Ho] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Kim, ES (reprint author), Seoul Natl Univ, Dept Nucl Engn, Seoul 151742, South Korea.
EM kes7741@snu.ac.kr
FU Nuclear Safety Research Program through the Korea Radiation Safety
Foundation (KORSAFe); Nuclear Safety and Security Commission (NSSC),
Republic of Korea [1403005]; National Research Foundation of Korea (NRF)
Grant - Ministry of Science, ICT & Future Planning (MSIP)
[0666-20150009]
FX This work was supported by the Nuclear Safety Research Program through
the Korea Radiation Safety Foundation (KORSAFe) and the Nuclear Safety
and Security Commission (NSSC), Republic of Korea (Grant No. 1403005).
This work was also supported by the National Research Foundation of
Korea (NRF) Grant funded by the Ministry of Science, ICT & Future
Planning (MSIP) (No. 0666-20150009).
NR 14
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U1 2
U2 2
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2016
VL 87
BP 145
EP 156
DI 10.1016/j.anucene.2015.08.012
PN 2
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800017
ER
PT J
AU Gauld, IC
Giaquinto, JM
Delashmitt, JS
Hu, J
Ilas, G
Haverlock, TJ
Romano, C
AF Gauld, I. C.
Giaquinto, J. M.
Delashmitt, J. S.
Hu, J.
Ilas, G.
Haverlock, T. J.
Romano, C.
TI Re-evaluation of spent nuclear fuel assay data for the Three Mile Island
unit 1 reactor and application to code validation
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Three Mile Island unit 1 reactor; Spent fuel radiochemical analysis;
Inductively coupled plasma mass spectrometry with isotopic dilution;
Isotopic assay benchmark data; SCALE nuclear systems modeling and
simulation code
ID SCALE; CAPABILITIES; TECHNOLOGY; DEPLETION; SCIENCE
AB Destructive radiochemical assay measurements of spent nuclear fuel rod segments from an assembly irradiated in the Three Mile Island unit 1 (TMI-1) pressurized water reactor have been performed at Oak Ridge National Laboratory (ORNL). Assay data are reported for five samples from two fuel rods of the same assembly. The TMI-1 assembly was a 15 x 15 design with an initial enrichment of 4.013 wt% U-235, and the measured samples achieved burnups between 45.5 and 54.5 gigawatt days per metric ton of initial uranium (GWd/t). Measurements were performed mainly using inductively coupled plasma mass spectrometry after elemental separation via high performance liquid chromatography. High precision measurements were achieved using isotope dilution techniques for many of the lanthanides, uranium, and plutonium isotopes. Measurements are reported for more than 50 different isotopes and 16 elements. One of the two TMI-1 fuel rods measured in this work had been measured previously by Argonne National Laboratory (ANL); and these data have been widely used to support code and nuclear data validation. The recent measurements performed by ORNL provided an important opportunity to independently cross check results against previous measurements performed at ANL. These measurements serve to improve confidence in the data, to verify reported uncertainties, and to investigate previous anomalies noted in the plutonium measurements. The measured nuclide concentrations are used to validate burnup calculations using the SCALE nuclear systems modeling and simulation code suite. These results show that the new measurements provide reliable benchmark data for computer code validation. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Gauld, I. C.; Giaquinto, J. M.; Delashmitt, J. S.; Hu, J.; Ilas, G.; Haverlock, T. J.; Romano, C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
RP Gauld, IC (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA.
EM gauldi@ornl.gov
OI Gauld, Ian/0000-0002-3893-7515; Ilas, Germina/0000-0003-4222-6393
FU U.S. Department of Energy, Office of Defense Nuclear Nonproliferation RD
(NA-22) [DE-AC05-00OR22725]; U.S. Department of Energy, Office of
Nonproliferation and Arms Control (NA-24) [DE-AC05-00OR22725]
FX This work was supported by the U.S. Department of Energy, Office of
Defense Nuclear Nonproliferation R&D (NA-22) and Office of
Nonproliferation and Arms Control (NA-24) under contract No.
DE-AC05-00OR22725. Acquisition of the spent fuel rod sections from ANL
that were used in this work was coordinated under previous activities of
the Office of Civilian Radioactive Waste Management, Yucca Mountain
Project.
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PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2016
VL 87
BP 267
EP 281
DI 10.1016/j.anucene.2015.08.026
PN 2
PG 15
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800030
ER
PT J
AU Reichenberger, MA
Unruh, TC
Ugorowski, PB
Ito, T
Roberts, JA
Stevenson, SR
Nichols, DM
McGregor, DS
AF Reichenberger, Michael A.
Unruh, Troy C.
Ugorowski, Philip B.
Ito, Takashi
Roberts, Jeremy A.
Stevenson, Sarah R.
Nichols, Daniel M.
McGregor, Douglas S.
TI Micro-Pocket Fission Detectors (MPFDs) for in-core neutron detection
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Reactor instrumentation; Fission chamber; Neutron detector; Micro-Pocket
Fission Detectors
AB Neutron sensors capable of real-time measurement of neutrons in high-flux environments are necessary for tests aimed at demonstrating the performance of experimental nuclear reactor fuels and materials in material test reactors (MTRs). In-core Micro-Pocket Fission Detectors (MPFDs) have been studied at Kansas State University for many years. Previous MPFD prototypes were successfully built and tested with promising results. Efforts are now underway to develop advanced MPFDs with radiation-resistant, high-temperature materials capable of withstanding irradiation test conditions in high performance material and test reactors. Stackable MPFDs have been designed, built, and successfully demonstrated as in-core neutron sensors. Advances in the electrodeposition and measurement of neutron reactive material, along with refinements to composition optimization simulations, have enhanced the capabilities of contemporary MPFDs. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Reichenberger, Michael A.; Ugorowski, Philip B.; Roberts, Jeremy A.; Stevenson, Sarah R.; Nichols, Daniel M.; McGregor, Douglas S.] Kansas State Univ, Mech & Nucl Engn Dept, SMART Lab, Manhattan, KS 66506 USA.
[Unruh, Troy C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
[Ito, Takashi] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA.
RP Reichenberger, MA (reprint author), Kansas State Univ, Mech & Nucl Engn Dept, SMART Lab, Manhattan, KS 66506 USA.
RI Ito, Takashi/A-4193-2008;
OI Ito, Takashi/0000-0001-7443-3157; Reichenberger,
Michael/0000-0001-8749-4645
FU US Department of Energy Office of Nuclear Energy under DOE-NE Idaho
Operations Office Contract [DE-AC07 05ID14517]; US Department of Energy
Office of Nuclear Energy [DE-NE0008305]
FX Portions of this work were supported by the US Department of Energy
Office of Nuclear Energy under DOE-NE Idaho Operations Office Contract
DE-AC07 05ID14517 & US Department of Energy Office of Nuclear Energy
under DE-NE0008305. The authors thank Dr. Amy Betz and the Kansas State
University Multiphase Microfluidics Laboratory for use of equipment and
assistance in machining shadow masks for this work.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2016
VL 87
BP 318
EP 323
DI 10.1016/j.anucene.2015.08.022
PN 2
PG 6
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800035
ER
PT J
AU Zou, L
Zhao, HH
Zhang, HB
AF Zou, Ling
Zhao, Haihua
Zhang, Hongbin
TI Numerical implementation, verification and validation of two-phase flow
four-equation drift flux model with Jacobian-free Newton-Krylov method
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Drift flux model; Jacobian-free Newton-Krylov method; Verification;
Validation
ID 8 X 8; EQUATIONS; TASS/SMR; SYSTEMS; SCHEME; SMART
AB This paper presents a numerical investigation on using the Jacobian-free Newton-Krylov (JENK) method to solve the two-phase flow four-equation drift flux model with realistic constitutive correlations ('closure models'). The drift flux model is based on Isshi and his collaborators' work. Additional constitutive correlations for vertical channel flow, such as two-phase flow pressure drop, flow regime map, wall boiling and interfacial heat transfer models, were taken from the RELAP5-3D Code Manual and included to complete the model. The staggered grid finite volume method and fully implicit backward Euler method was used for the spatial discretization and time integration schemes, respectively. The Jacobian-free Newton-Krylov method shows no difficulty in solving the two-phase flow drift flux model with a discrete flow regime map. In addition to the Jacobian-free approach, the preconditioning matrix is obtained by using the default finite differencing method provided in the PETSc package, and consequently the labor-intensive implementation of complex analytical Jacobian matrix is avoided. Extensive and successful numerical verification and validation have been performed to prove the correct implementation of the models and methods. Code-to-code comparison with RELAP5-3D has further demonstrated the successful implementation of the drift flux model. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zou, Ling; Zhao, Haihua; Zhang, Hongbin] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Zou, L (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM ling.zou@inl.gov
RI Zou, Ling/D-7577-2016
OI Zou, Ling/0000-0003-0664-0474
FU United States (U.S.) Department of Energy under Department of Energy
Idaho Operations Office [DE-AC07-05ID14517]
FX This work is supported by the United States (U.S.) Department of Energy,
under Department of Energy Idaho Operations Office Contract
DE-AC07-05ID14517. Accordingly, the U.S. Government retains a
nonexclusive, royalty-free license to publish or reproduce the published
form of this contribution, or allow others to do so, for U.S. Government
purposes.
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PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2016
VL 87
BP 707
EP 719
DI 10.1016/j.anucene.2015.07.033
PN 2
PG 13
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800075
ER
PT J
AU Goorley, T
James, M
Booth, T
Brown, F
Bull, J
Cox, LJ
Durkee, J
Elson, J
Fensin, M
Forster, RA
Hendricks, J
Hughes, HG
Johns, R
Kiedrowski, B
Martz, R
Mashnik, S
McKinney, G
Pelowitz, D
Prael, R
Sweezy, J
Waters, L
Wilcox, T
Zukaitis, T
AF Goorley, T.
James, M.
Booth, T.
Brown, F.
Bull, J.
Cox, L. J.
Durkee, J.
Elson, J.
Fensin, M.
Forster, R. A.
Hendricks, J.
Hughes, H. G.
Johns, R.
Kiedrowski, B.
Martz, R.
Mashnik, S.
McKinney, G.
Pelowitz, D.
Prael, R.
Sweezy, J.
Waters, L.
Wilcox, T.
Zukaitis, T.
TI Features of MCNP6
SO ANNALS OF NUCLEAR ENERGY
LA English
DT Article
DE Monte Carlo; Particle transport; MCNP; MCNP6
ID INTRANUCLEAR CASCADE CALCULATION; NUCLEAR-DATA; VERIFICATION;
ENDF/B-VII.0; TECHNOLOGY; SCIENCE; YIELDS; MODEL
AB MCNP6 can be described as the merger of MCNP5 and MCNPX capabilities, but it is much more than the sum of these two computer codes. MCNP6 is the result of six years of effort by the MCNP5 and MCNPX code development teams. These groups of people, residing in Los Alamos National Laboratory's X Computational Physics Division, Monte Carlo Codes Group (XCP-3) and Nuclear Engineering and Nonproliferation Division, Radiation Transport Modeling Team (NEN-5) respectively, have combined their code development efforts to produce the next evolution of MCNP. While maintenance and major bug fixes will continue for MCNP5 1.60 and MCNPX 2.7.0 for upcoming years, new code development capabilities only will be developed and released in MCNP6. In fact, the initial release of MCNP6 contains numerous new features not previously found in either code. These new features are summarized in this document. Packaged with MCNP6 is also the new production release of the ENDF/B-VII.1 nuclear data files usable by MCNP. The high quality of the overall merged code, usefulness of these new features, along with the desire in the user community to start using the merged code, have led us to make the first MCNP6 production release: MCNP6 version 1. High confidence in the MCNP6 code is based on its performance with the verification and validation test suites, comparisons to its predecessor codes, our automated nightly software debugger tests, the underlying high quality nuclear and atomic databases, and significant testing by many beta testers. (C) 2015 Published by Elsevier Ltd.
C1 [Goorley, T.; Brown, F.; Bull, J.; Cox, L. J.; Forster, R. A.; Hughes, H. G.; Kiedrowski, B.; Martz, R.; Mashnik, S.; Prael, R.; Sweezy, J.; Zukaitis, T.] Los Alamos Natl Lab, Grp XCP 3, Los Alamos, NM 87545 USA.
[James, M.; Durkee, J.; Elson, J.; Fensin, M.; Hendricks, J.; Johns, R.; McKinney, G.; Pelowitz, D.; Waters, L.; Wilcox, T.] Los Alamos Natl Lab, Grp NEN 5, Los Alamos, NM 87545 USA.
[Booth, T.] Los Alamos Natl Lab, Grp XCP 7, Los Alamos, NM 87545 USA.
RP Hughes, HG (reprint author), Los Alamos Natl Lab, Grp XCP 3, MS A143, Los Alamos, NM 87545 USA.
EM hgh@lanl.gov
FU US Department of Energy's National Nuclear Security
Administration-Advanced Simulation and Computing (NNSA-ASC); Nuclear
Criticality Safety Program (NCSP); Department of Defense; Department of
Homeland Security
FX MCNP development over the last ten years has been supported by funding
from the US Department of Energy's National Nuclear Security
Administration-Advanced Simulation and Computing (NNSA-ASC), Nuclear
Criticality Safety Program (NCSP), Department of Defense, and Department
of Homeland Security. We thank these sponsors.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0306-4549
J9 ANN NUCL ENERGY
JI Ann. Nucl. Energy
PD JAN
PY 2016
VL 87
BP 772
EP 783
DI 10.1016/j.anucene.2015.02.020
PN 2
PG 12
WC Nuclear Science & Technology
SC Nuclear Science & Technology
GA DA3LE
UT WOS:000367697800081
ER
PT J
AU Hall, J
Aalseth, CE
Bonicalzi, RM
Brandenberger, JM
Day, AR
Humble, PH
Mace, EK
Panisko, ME
Seifert, A
AF Hall, Jeter
Aalseth, Craig E.
Bonicalzi, Ricco M.
Brandenberger, Jill M.
Day, Anthony R.
Humble, Paul H.
Mace, Emily K.
Panisko, Mark E.
Seifert, Allen
TI Ar-39/Ar measurements using ultra-low background proportional counters
SO APPLIED RADIATION AND ISOTOPES
LA English
DT Article
DE Water age-dating; Ar-39; Low level couning
ID COUNTING SYSTEM; ARGON
AB Age-dating groundwater and seawater using the Ar-39/Ar ratio is an important tool to understand water mass-flow rates and mean residence time. Low-background proportional counters developed at Pacific Northwest National Laboratory use mixtures of argon and methane as counting gas. We demonstrate sensitivity to Ar-39 by comparing geological (ancient) argon recovered from a carbon dioxide gas well and commercial argon. The demonstrated sensitivity to the Ar-39/Ar ratio is sufficient to date water masses as old as 1000 years. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Hall, Jeter; Aalseth, Craig E.; Bonicalzi, Ricco M.; Brandenberger, Jill M.; Day, Anthony R.; Humble, Paul H.; Mace, Emily K.; Panisko, Mark E.; Seifert, Allen] Pacific NW Natl Lab, Richland, WA 99352 USA.
RP Hall, J (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA.
EM jeter@pnnl.gov
RI Humble, Paul/K-1961-2012
OI Humble, Paul/0000-0002-2632-6557
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0969-8043
J9 APPL RADIAT ISOTOPES
JI Appl. Radiat. Isot.
PD JAN
PY 2016
VL 107
BP 187
EP 190
DI 10.1016/j.apradiso.2015.10.006
PG 4
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology,
Nuclear Medicine & Medical Imaging
SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA CZ9IC
UT WOS:000367410300031
PM 26516993
ER
PT J
AU Gharibyan, N
Moody, KJ
Tumey, SJ
Brown, TA
Despotopulos, JD
Faye, SA
Roberts, KE
Shaughnessy, DA
AF Gharibyan, N.
Moody, K. J.
Tumey, S. J.
Brown, T. A.
Despotopulos, J. D.
Faye, S. A.
Roberts, K. E.
Shaughnessy, D. A.
TI Production and separation of carrier-free Be-7
SO APPLIED RADIATION AND ISOTOPES
LA English
DT Article
DE Be-7; Carrier-free; CAMS; Ion-exchange; Nuclear forensics
ID BERYLLIUM-7; ATMOSPHERE; RATES
AB A high-purity carrier-free Be-7 was efficiently isolated following proton bombardment of a lithium hydroxide-aluminum target. The separation of beryllium from lithium and aluminum was achieved through a hydrochloric acid elution system utilizing cation exchange chromatography. The beryllium recovery, +99%, was assessed through gamma spectroscopy while the chemical purity was established by mass spectrometry. The decontamination factors of beryllium from lithium and aluminum were determined to be 6900 and 300, respectively. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Gharibyan, N.; Moody, K. J.; Despotopulos, J. D.; Roberts, K. E.; Shaughnessy, D. A.] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA.
[Tumey, S. J.; Brown, T. A.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA.
[Faye, S. A.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA.
RP Gharibyan, N (reprint author), Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, 7000 East Ave L-236, Livermore, CA 94551 USA.
EM gharibyan1@llnl.gov
FU U.S. Department of Energy by Lawrence Livermore National Laboratory
[DE-AC52-07NA27344]; Nuclear Science and Security Consortium through the
Department of Energy National Nuclear Security Administration
[DE-NA0000979]
FX The authors would like to acknowledge Jason Burke for help with the
target chamber assembly and design, Rachel Lindvall for the
mass-spectrometry measurements and Phil Torretto and Todd Wooddy for
support of the Nuclear Counting Facility. 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 supported in
part by the Nuclear Science and Security Consortium through the
Department of Energy National Nuclear Security Administration under
Award no. DE-NA0000979.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0969-8043
J9 APPL RADIAT ISOTOPES
JI Appl. Radiat. Isot.
PD JAN
PY 2016
VL 107
BP 199
EP 202
DI 10.1016/j.apradiso.2015.10.028
PG 4
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology,
Nuclear Medicine & Medical Imaging
SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA CZ9IC
UT WOS:000367410300034
PM 26524406
ER
PT J
AU Adam, J
Chilap, VV
Furman, VI
Kadykov, MG
Khushvaktov, J
Pronskikh, VS
Solnyshkin, AA
Stegailov, VI
Suchopar, M
Tsoupko-Sitnikov, VM
Tyutyunnikov, SI
Vrzalova, J
Wagner, V
Zavorka, L
AF Adam, J.
Chilap, V. V.
Furman, V. I.
Kadykov, M. G.
Khushvaktov, J.
Pronskikh, V. S.
Solnyshkin, A. A.
Stegailov, V. I.
Suchopar, M.
Tsoupko-Sitnikov, V. M.
Tyutyunnikov, S. I.
Vrzalova, J.
Wagner, V.
Zavorka, L.
TI Study of secondary neutron interactions with Th-232, I-129, and I-127
nuclei with the uranium assembly "QUINTA" at 2, 4, and 8 GeV deuteron
beams of the JINR Nuclotron accelerator
SO APPLIED RADIATION AND ISOTOPES
LA English
DT Article
DE Transmutation; Fission reactions; Accelerator driven system
ID REACTION-RATES; TRANSMUTATION; SPECTRUM; PU-238; NP-237; TARGET; GAMMA
AB The natural uranium assembly, "QUINTA", was irradiated with 2, 4, and 8 GeV deuterons. The Th-232, I-127, and I-129 samples have been exposed to secondary neutrons produced in the assembly at a 20-cm radial distance from the deuteron beam axis. The spectra of gamma rays emitted by the activated Th-232, I-127, and I-129 samples have been analyzed and several tens of product nuclei have been identified. For each of those products, neutron-induced reaction rates have been determined. The transmutation power for the I-129 samples is estimated. Experimental results were compared to those calculated with well-known stochastic and deterministic codes. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Adam, J.; Furman, V. I.; Kadykov, M. G.; Khushvaktov, J.; Pronskikh, V. S.; Solnyshkin, A. A.; Stegailov, V. I.; Tsoupko-Sitnikov, V. M.; Tyutyunnikov, S. I.; Vrzalova, J.; Zavorka, L.] Joint Inst Nucl Res, Dubna, Russia.
[Adam, J.; Suchopar, M.; Wagner, V.] Nucl Phys Inst ASCR PRI, Prague, Czech Republic.
[Chilap, V. V.] Ctr Phys & Tech Projects Atomenergomash, Moscow, Russia.
[Pronskikh, V. S.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA.
RP Khushvaktov, J (reprint author), Joint Inst Nucl Res, Dubna, Russia.
EM khushvaktov@jinr.ru
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0969-8043
J9 APPL RADIAT ISOTOPES
JI Appl. Radiat. Isot.
PD JAN
PY 2016
VL 107
BP 225
EP 233
DI 10.1016/j.apradiso.2015.11.002
PG 9
WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology,
Nuclear Medicine & Medical Imaging
SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine &
Medical Imaging
GA CZ9IC
UT WOS:000367410300039
PM 26556554
ER
PT J
AU Rim, D
Gall, ET
Maddalena, RL
Nazaroff, WW
AF Rim, Donghyun
Gall, Elliott T.
Maddalena, Randy L.
Nazaroff, William W.
TI Ozone reaction with interior building materials: Influence of diurnal
ozone variation, temperature and humidity
SO ATMOSPHERIC ENVIRONMENT
LA English
DT Article
DE Deposition velocity; Reaction probability; Exposure; Surface aging;
Regeneration
ID INDOOR AIR; DEPOSITION VELOCITIES; REACTION PROBABILITIES; SECONDARY
EMISSIONS; ORGANIC-COMPOUNDS; OUTDOOR OZONE; DECAY-RATES; REMOVAL;
CHEMISTRY; PRODUCTS
AB Elevated tropospheric ozone concentrations are associated with increased morbidity and mortality. Indoor ozone chemistry affects human exposure to ozone and reaction products that also may adversely affect health and comfort. Reactive uptake of ozone has been characterized for many building materials; however, scant information is available on how diurnal variation of ambient ozone influences ozone reaction with indoor surfaces. The primary objective of this study is to investigate ozone-surface reactions in response to a diurnally varying ozone exposure for three common building materials: ceiling tile, painted drywall, and carpet tile. A secondary objective is to examine the effects of air temperature and humidity. A third goal is to explore how conditioning of materials in an occupied office building might influence subsequent ozone-surface reactions. Experiments were performed at bench-scale with inlet ozone concentrations varied to simulate daytime (ozone elevated) and nighttime (ozone-free in these experiments) periods. To simulate office conditions, experiments were conducted at two temperatures (22 degrees C and 28 degrees C) and three relative humidity values (25%, 50%, 75%). Effects of indoor surface exposures were examined by placing material samples in an occupied office and repeating bench-scale characterization after exposure periods of 1 and 2 months. Deposition velocities were observed to be highest during the initial hour of ozone exposure with slow decrease in the subsequent hours of simulated daytime conditions. Daily-average ozone reaction probabilities for fresh materials are in the respective ranges of (1.7-2.7) x 10(-5), (2.8-4.7) x 10(-5), and (3.0-4.5) x 10(-5) for ceiling tile, painted drywall, and carpet tile. The reaction probability decreases by 7%-47% across the three test materials after two 8-h periods of ozone exposure. Measurements with the samples from an occupied office reveal that deposition velocity can decrease or increase with time. Influence of temperature and humidity on ozone-surface reactivity was not strong. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Rim, Donghyun] Penn State Univ, Architectural Engn Dept, University Pk, PA 16802 USA.
[Gall, Elliott T.] Nanyang Technol Univ, Singapore 138602, Singapore.
[Gall, Elliott T.] Berkeley Educ Alliance Res Singapore, Singapore 138602, Singapore.
[Gall, Elliott T.] Portland State Univ, Dept Mech & Mat Engn, Portland, OR 97207 USA.
[Maddalena, Randy L.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA.
[Nazaroff, William W.] Univ Calif Berkeley, Civil & Environm Engn Dept, Berkeley, CA 94720 USA.
RP Rim, D (reprint author), Penn State Univ, Engn Unit A 104, University Pk, PA 16802 USA.
EM drim@psu.edu
OI Gall, Elliott/0000-0003-1351-0547
FU Republic of Singapore's National Research Foundation
FX This research was funded by the Republic of Singapore's National
Research Foundation through a grant to the Berkeley Education Alliance
for Research in Singapore (BEARS) for the Singapore-Berkeley Building
Efficiency and Sustainability in the Tropics (SinBerBEST) Program. BEARS
has been established by the University of California, Berkeley as a
center for intellectual excellence in research and education in
Singapore.
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PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1352-2310
EI 1873-2844
J9 ATMOS ENVIRON
JI Atmos. Environ.
PD JAN
PY 2016
VL 125
BP 15
EP 23
DI 10.1016/j.atmosenv.2015.10.093
PN A
PG 9
WC Environmental Sciences; Meteorology & Atmospheric Sciences
SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences
GA DA2OU
UT WOS:000367636500003
ER
PT J
AU Annesley, T
Diamandis, E
Bachmann, L
Hanash, S
Hart, B
Javahery, R
Singh, R
Smith, R
AF Annesley, Thomas
Diamandis, Eleftherios
Bachmann, Lorin
Hanash, Samir
Hart, Bradley
Javahery, Reza
Singh, Ravinder
Smith, Richard
TI A Spectrum of Views on Clinical Mass Spectrometry
SO CLINICAL CHEMISTRY
LA English
DT Editorial Material
C1 [Annesley, Thomas] Univ Michigan Hlth Syst, Dept Pathol, Ann Arbor, MI USA.
[Diamandis, Eleftherios] Univ Toronto, Dept Lab Med & Pathobiol, Toronto, ON, Canada.
[Bachmann, Lorin] Virginia Commonwealth Univ Hlth Syst, Clin Chem, Richmond, VA USA.
[Hanash, Samir] Univ Texas MD Anderson Canc Ctr, Canc Prevent, Houston, TX 77030 USA.
[Hart, Bradley] Thermo Fisher Sci, LSMS Translat Res IVD Toxicol, Chromatog & Mass Spectrometry Div, Waltham, MA USA.
[Javahery, Reza] Ionis Mass Spectrometry, Bolton, ON, Canada.
[Singh, Ravinder] Mayo Clin, Mayo Clin Endocrine Lab, Rochester, MN USA.
[Smith, Richard] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Smith, Richard] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA.
RP Annesley, T (reprint author), Univ Hosp Rm 2G332,1500 East Med Ctr Dr, Ann Arbor, MI 48109 USA.
EM annesley@umich.edu
FU NCI NIH HHS [P30 CA016672]
NR 0
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PU AMER ASSOC CLINICAL CHEMISTRY
PI WASHINGTON
PA 2101 L STREET NW, SUITE 202, WASHINGTON, DC 20037-1526 USA
SN 0009-9147
EI 1530-8561
J9 CLIN CHEM
JI Clin. Chem.
PD JAN
PY 2016
VL 62
IS 1
BP 30
EP 36
DI 10.1373/clinchem.2015.250258
PG 7
WC Medical Laboratory Technology
SC Medical Laboratory Technology
GA DA3NC
UT WOS:000367703400008
PM 26553793
ER
PT J
AU Hoofnagle, AN
Whiteaker, JR
Carr, SA
Kuhn, E
Liu, T
Massoni, SA
Thomas, SN
Townsend, RR
Zimmerman, LJ
Boja, E
Chen, J
Crimmins, DL
Davies, SR
Gao, YG
Hiltke, TR
Ketchum, KA
Kinsinger, CR
Mesri, M
Meyer, MR
Qian, WJ
Schoenherr, RM
Scott, MG
Shi, TJ
Whiteley, GR
Wrobel, JA
Wu, CC
Ackermann, BL
Aebersold, R
Barnidge, DR
Bunk, DM
Clarke, N
Fishman, JB
Grant, RP
Kusebauch, U
Kushnir, MM
Lowenthal, MS
Moritz, RL
Neubert, H
Patterson, SD
Rockwood, AL
Rogers, J
Singh, RJ
Van Eyk, JE
Wong, SH
Zhang, SC
Chan, DW
Chen, X
Ellis, MJ
Liebler, DC
Rodland, KD
Rodriguez, H
Smith, RD
Zhang, Z
Zhang, H
Paulovich, AG
AF Hoofnagle, Andrew N.
Whiteaker, Jeffrey R.
Carr, Steven A.
Kuhn, Eric
Liu, Tao
Massoni, Sam A.
Thomas, Stefani N.
Townsend, R. Reid
Zimmerman, Lisa J.
Boja, Emily
Chen, Jing
Crimmins, Daniel L.
Davies, Sherri R.
Gao, Yugian
Hiltke, Tara R.
Ketchum, Karen A.
Kinsinger, Christopher R.
Mesri, Mehdi
Meyer, Matthew R.
Qian, Wei-Jun
Schoenherr, Regine M.
Scott, Mitchell G.
Shi, Tujin
Whiteley, Gordon R.
Wrobel, John A.
Wu, Chaochao
Ackermann, Brad L.
Aebersold, Ruedi
Barnidge, David R.
Bunk, David M.
Clarke, Nigel
Fishman, Jordan B.
Grant, Russ P.
Kusebauch, Ulrike
Kushnir, Mark M.
Lowenthal, Mark S.
Moritz, Robert L.
Neubert, Hendrik
Patterson, Scott D.
Rockwood, Alan L.
Rogers, John
Singh, Ravinder J.
Van Eyk, Jennifer E.
Wong, Steven H.
Zhang, Shucha
Chan, Daniel W.
Chen, Xian
Ellis, Matthew J.
Liebler, Daniel C.
Rodland, Karin D.
Rodriguez, Henry
Smith, Richard D.
Zhang, Zhen
Zhang, Hui
Paulovich, Amanda G.
TI Recommendations for the Generation, Quantification, Storage, and
Handling of Peptides Used for Mass Spectrometry-Based Assays
SO CLINICAL CHEMISTRY
LA English
DT Article
ID AMINO-ACID-ANALYSIS; PERFORMANCE LIQUID-CHROMATOGRAPHY; PROTEIN
QUANTIFICATION; ISOTOPE-DILUTION; QUANTITATIVE BIOANALYSIS; PROTEOTYPIC
PEPTIDES; INTERNAL STANDARD; LC-MS/MS; PROTEOMICS; PREDICTION
AB BACKGROUND: For many years, basic and clinical researchers have taken advantage of the analytical sensitivity and specificity afforded by mass spectrometry in the measurement of proteins. Clinical laboratories are now beginning to deploy these work flows as well. For assays that use proteolysis to generate peptides for protein quantification and characterization, synthetic stable isotope labeled internal standard peptides are of central importance. No general recommendations are currently available surrounding the use of peptides in protein mass spectrometric assays.
CONTENT: The Clinical Proteomic Tumor Analysis Consortium of the National Cancer Institute has collaborated with clinical laboratorians, peptide manufacturers, metrologists, representatives of the pharmaceutical industry, and other professionals to develop a consensus set of recommendations for peptide procurement, characterization, storage, and handling, as well as approaches to the interpretation of the data generated by mass spectrometric protein assays. Additionally, the importance of carefully characterized reference materials in particular, peptide standards for the improved concordance of amino acid analysis methods across the industry is highlighted. The alignment of practices around the use of peptides and the transparency of sample preparation protocols should allow for the harmonization of peptide and protein quantification in research and clinical care. (C) 2015 American Association for Clinical Chemistry
C1 [Hoofnagle, Andrew N.] Univ Washington, Seattle, WA 98115 USA.
[Whiteaker, Jeffrey R.; Schoenherr, Regine M.; Paulovich, Amanda G.] Fred Hutchinson Canc Res Ctr, Seattle, WA 98109 USA.
[Carr, Steven A.; Kuhn, Eric] Broad Inst, Cambridge, MA USA.
[Liu, Tao; Gao, Yugian; Qian, Wei-Jun; Shi, Tujin; Wu, Chaochao; Rodland, Karin D.; Smith, Richard D.] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Massoni, Sam A.] New England Peptide Inc, Gardner, MA USA.
[Thomas, Stefani N.; Zhang, Zhen; Zhang, Hui] Johns Hopkins Univ, Baltimore, MD USA.
[Townsend, R. Reid; Crimmins, Daniel L.; Davies, Sherri R.; Meyer, Matthew R.; Scott, Mitchell G.] Washington Univ, St Louis, MO USA.
[Zimmerman, Lisa J.; Liebler, Daniel C.] Vanderbilt Univ, Nashville, TN 37235 USA.
[Boja, Emily; Hiltke, Tara R.; Mesri, Mehdi; Rodriguez, Henry] NCI, Bethesda, MD 20892 USA.
[Ketchum, Karen A.] ESAC Inc, Rockville, MD USA.
[Whiteley, Gordon R.] Frederick Natl Lab Canc Res, Frederick, MD USA.
[Wrobel, John A.] Univ N Carolina, Sch Med, Chapel Hill, NC USA.
[Ackermann, Brad L.] Eli Lilly & Co, Indianapolis, IN 46285 USA.
[Aebersold, Ruedi] Swiss Fed Inst Technol, Inst Mol Syst Biol, Zurich, Switzerland.
[Barnidge, David R.] Mayo Clin, Coll Med, Rochester, MN USA.
[Bunk, David M.; Lowenthal, Mark S.] NIST, Gaithersburg, MD 20899 USA.
[Clarke, Nigel] Quest Diagnost, San Juan Capistrano, CA USA.
[Fishman, Jordan B.] 21st Century Biochem Inc, Marlborough, MA USA.
[Grant, Russ P.] Lab Corp Amer Holdings Inc, Burlington, NC USA.
[Moritz, Robert L.] Inst Syst Biol, Seattle, WA USA.
[Kushnir, Mark M.; Rockwood, Alan L.] Univ Utah, Salt Lake City, UT USA.
[Kushnir, Mark M.; Rockwood, Alan L.] ARUP Labs, Salt Lake City, UT USA.
[Neubert, Hendrik] Pfizer Inc, Andover, MA USA.
[Patterson, Scott D.] Gilead Sci Inc, Foster City, CA USA.
[Rogers, John] Thermo Fisher Sci, Rockford, IL USA.
[Van Eyk, Jennifer E.] Cedars Sinai Med Ctr, Los Angeles, CA 90048 USA.
[Wong, Steven H.] Wake Forest Sch Med, Winston Salem, NC USA.
[Zhang, Shucha] Enanta Pharmaceut, Watertown, MA USA.
[Ellis, Matthew J.] Baylor Coll Med, Houston, TX 77030 USA.
RP Hoofnagle, AN (reprint author), Univ Washington, Box 357110, Seattle, WA 98115 USA.
EM ahoof@u.washington.edu; apaulovi@fhcrc.org
RI Smith, Richard/J-3664-2012
OI Smith, Richard/0000-0002-2381-2349
FU Waters Inc.; Thermo Inc.; NIDDK [U01DK085689]; NCI [U24CA115102]; NIGMS
[P50GM076547, R01GM087221]; NCI CPTAC [U24CA160034, U24CA160019,
U24CA160036, U24CA160035, U24CA159988]
FX A.N. Hoofnagle, Waters Inc. and Thermo Inc.; J.E. Van Eyk, NIDDK
(U01DK085689); D.W. Chan, NCI (U24CA115102); R.L. Moritz, NIGMS
(P50GM076547 and R01GM087221); S.A. Carr (PI), A.N. Hoofnagle, E. Kuhn,
A.G. Paulovich (PI), and R.M. Schoenherr, NCI CPTAC (U24CA160034); Y.
Gao, T. Liu, W-J. Qian, K.D. Rodland (PI), T. Shi, R.D. Smith (PI), and
C. Wu, NCI CPTAC (U24CA160019); D.W. Chan (PI), J. Chen, S.N. Thomas, H.
Zhang (PI), and Z. Zhang (PI), NCI CPTAC (U24CA160036); X. Chen (PI),
D.L. Crimmins, S.R. Davies, M.J. Ellis (PI), M.R. Meyer, KG. Scott, and
R.R. Townsend (PI), NCI CPTAC (U24CA160035); D.C. Liebler (PI) and L.J.
Zimmerman, NCI CPTAC (U24CA159988).
NR 76
TC 16
Z9 16
U1 10
U2 30
PU AMER ASSOC CLINICAL CHEMISTRY
PI WASHINGTON
PA 2101 L STREET NW, SUITE 202, WASHINGTON, DC 20037-1526 USA
SN 0009-9147
EI 1530-8561
J9 CLIN CHEM
JI Clin. Chem.
PD JAN
PY 2016
VL 62
IS 1
BP 48
EP 69
DI 10.1373/clinchem.2015.250563
PG 22
WC Medical Laboratory Technology
SC Medical Laboratory Technology
GA DA3NC
UT WOS:000367703400013
PM 26719571
ER
PT J
AU Jacobs, AC
Fair, JM
AF Jacobs, Anne C.
Fair, Jeanne M.
TI Bacteria-killing ability of fresh blood plasma compared to frozen blood
plasma
SO COMPARATIVE BIOCHEMISTRY AND PHYSIOLOGY A-MOLECULAR & INTEGRATIVE
PHYSIOLOGY
LA English
DT Article
DE Ecological immunology; Microbicidal ability of blood; Repeatability
ID ECOLOGICAL IMMUNOLOGY; WESTERN BLUEBIRDS; IMMUNE; DISEASE; BIRDS;
RESPONSES; CAPACITY; GROWTH; SYSTEM
AB In recent years, the bacteria-killing assay (BM) has become a popular technique among ecoimmunologists. New variations of that assay allow researchers to use smaller volumes of blood, an important consideration for those working on small-bodied animals. However, this version of the assay requires access to a lab with a nanodrop spectrophotometer, something that may not be available in the field. One possible solution is to freeze plasma for transport; however, this assumes that frozen plasma samples will give comparable results to fresh ones. We tested this assumption using plasma samples from three species of birds: chickens (Gallus gallus), ashthroated flycatchers (Myiarchus cinerascens), and western bluebirds (Sialia mexicana). Chicken plasma samples lost most or all of their bacterial killing ability after freezing. This did not happen in flycatchers and bluebirds; however, frozen plasma did not produce results comparable to those obtained using fresh plasma. We caution researchers using the BM to use fresh samples whenever possible, and to validate the use of frozen samples on a species-by-species basis. (c) 2015 Elsevier Inc. All rights reserved.
C1 [Jacobs, Anne C.] Univ Calif Riverside, Dept Biol, Riverside, CA 92521 USA.
[Fair, Jeanne M.] Los Alamos Natl Lab, Global Secur Emerging Threats, Los Alamos, NM 87545 USA.
RP Jacobs, AC (reprint author), Allegheny Coll, Dept Biol, Meadville, PA 16335 USA.
EM ajacobs@allegheny.edu
FU Research Coordination Network in Ecoimmunology; Los Alamos National
Security, LLC of the Los Alamos National Laboratory [DE-AC52-06NA25396];
US Department of Energy
FX We would like to thank C. Hathcock for assistance in the field and S.
Loftin for giving us access to his chickens. We thank Y. Shou, K.
McCabe, and the Bradbury laboratory for assistance with the immune
assays. Training for ACJ was funded by a travel grant from the Research
Coordination Network in Ecoimmunology. This project was funded by Los
Alamos National Security, LLC, operator of the Los Alamos National
Laboratory under Contract No. DE-AC52-06NA25396 with the US Department
of Energy.
NR 26
TC 1
Z9 1
U1 5
U2 13
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 1095-6433
EI 1531-4332
J9 COMP BIOCHEM PHYS A
JI Comp. Biochem. Physiol. A-Mol. Integr. Physiol.
PD JAN
PY 2016
VL 191
BP 115
EP 118
DI 10.1016/j.cbpa.2015.10.004
PG 4
WC Biochemistry & Molecular Biology; Physiology; Zoology
SC Biochemistry & Molecular Biology; Physiology; Zoology
GA DA2NN
UT WOS:000367633100015
PM 26456418
ER
PT J
AU Norheim, HK
Capar, J
Einrem, RF
Gagnon, KJ
Beavers, CM
Vazquez-Lima, H
Ghosh, A
AF Norheim, Hans-Kristian
Capar, Jan
Einrem, Rune F.
Gagnon, Kevin J.
Beavers, Christine M.
Vazquez-Lima, Hugo
Ghosh, Abhik
TI Ligand noninnocence in FeNO corroles: insights from
beta-octabromocorrole complexes
SO DALTON TRANSACTIONS
LA English
DT Article
ID COPPER CORROLES; REDUCTIVE DEMETALATION; METAL CENTERS; IRON; CHEMISTRY;
METALLOCORROLES; REACTIVITY; SPECTRA; APPROXIMATION; STRAIGHT
AB The first FeNO octabromocorroles have been synthesized including four beta-octabromo-meso-tris(p-X-phenyl)corrole derivatives Fe[Br(8)TpXPC](NO) (X = CF3, H, CH3, OCH3) and the beta-octabromo-meso-tris-(pentafluorophenyl)corrole complex, Fe[Br8TPFPC](NO). The last complex, which proved amenable to single-crystal X-ray structure determination, exhibits the geometry parameters: Fe N(O) 1.643(8) angstrom, N O 1.158(9) angstrom, and a FeNO angle of 176.4(6)degrees. The more electron-deficient complexes exhibit increased instability with respect to NO loss and also higher infrared NO stretching frequencies (nu(NO)). Interestingly, DFT calculations and IR marker bands indicate a noninnocent {FeNO}(7)-(corrole(center dot 2-)) formulation for all FeNO corroles, both beta-H-8 and beta-Br-8, with essentially the same degree of corrole radical character. Instead, an electron-deficient corrole appears to exert a field effect resulting in reduced Fe-to-NO back-donation, which accounts for both the increased instability with respect to NO loss and the higher nu(NO)'s.
C1 [Norheim, Hans-Kristian; Capar, Jan; Einrem, Rune F.; Vazquez-Lima, Hugo; Ghosh, Abhik] UiT, Dept Chem, N-9037 Tromso, Norway.
[Norheim, Hans-Kristian; Capar, Jan; Einrem, Rune F.; Vazquez-Lima, Hugo; Ghosh, Abhik] UiT, Ctr Theoret & Computat Chem, N-9037 Tromso, Norway.
[Gagnon, Kevin J.; Beavers, Christine M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
RP Vazquez-Lima, H (reprint author), UiT, Dept Chem, N-9037 Tromso, Norway.
EM hugo.vazquez@uit.no; abhik.ghosh@uit.no
RI Ghosh, Abhik/G-8164-2016; Beavers, Christine/C-3539-2009;
OI Ghosh, Abhik/0000-0003-1161-6364; Beavers,
Christine/0000-0001-8653-5513; Norheim,
Hans-Kristian/0000-0002-0774-7196; Einrem, Rune/0000-0002-0763-1994
FU FRINATEK project of Research Council of Norway [231086]; Advanced Light
Source, Berkeley, California; Office of Science, Office of Basic Energy
Sciences, of U.S. Department of Energy [DE-AC02-05CH11231]
FX This work was supported by FRINATEK project 231086 of the Research
Council of Norway (AG) and the Advanced Light Source, Berkeley,
California (CMB, KJG). 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 55
TC 7
Z9 7
U1 4
U2 13
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1477-9226
EI 1477-9234
J9 DALTON T
JI Dalton Trans.
PY 2016
VL 45
IS 2
BP 681
EP 689
DI 10.1039/c5dt03947a
PG 9
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA CZ7XD
UT WOS:000367312900035
PM 26619363
ER
PT J
AU Bai, FF
Zhu, L
Liu, YL
Wang, XR
Sun, K
Ma, YW
Patel, M
Farantatos, E
Bhatt, N
AF Bai, Feifei
Zhu, Lin
Liu, Yilu
Wang, Xiaoru
Sun, Kai
Ma, Yiwei
Patel, Mahendra
Farantatos, Evangelos
Bhatt, Navin
TI Design and implementation of a measurement-based adaptive wide-area
damping controller considering time delays
SO ELECTRIC POWER SYSTEMS RESEARCH
LA English
DT Article
DE Adaptive wide-area damping control system; Hardware test-bed; System
identification; Residue; Time delay compensation; Wide-area measurement
system
ID STOCHASTIC SUBSPACE IDENTIFICATION; POWER-SYSTEM; INTERAREA
OSCILLATIONS; SIGNALS; COMMUNICATION; OPTIMIZATION
AB Wide-area measurement systems enable the wide-area damping controller (WADC) to use remote signals to enhance the small signal stability of large scale interconnected power systems. System operating condition variations and signal transmission time delays are the major factors to worsen the damping effect and even deteriorate the system stability. This paper proposes a novel measurement-based adaptive wide-area damping control scheme using oscillation mode prediction and system identification techniques. These techniques adjust the parameters of WADC as well as the time delay compensation in an online environment. To achieve fast online implementation, an identified high order multi-input multi-output (MIMO) model is deformed into a low order single-input single-output (SISO) model according to the residue of MIMO model. The SISO model can accurately represent the power system dynamics in the form of a transfer function, capturing the dominant oscillatory behaviors in the frequency range of interest. Moreover, the WADC has been implemented on a hardware test-bed (HTB) by adding its output signal to the excitation system of a selected generator. The effectiveness of the proposed measurement-based adaptive WADC has been demonstrated in a two-area four-machine system on the HTB under various disturbance scenarios. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Bai, Feifei; Wang, Xiaoru] Southwest Jiaotong Univ, Chengdu, Peoples R China.
[Zhu, Lin; Liu, Yilu; Sun, Kai; Ma, Yiwei] Univ Tennessee, Knoxville, TN 37996 USA.
[Liu, Yilu] Oak Ridge Natl Lab, Oak Ridge, TN USA.
[Patel, Mahendra; Farantatos, Evangelos; Bhatt, Navin] Elect Power Res Inst, Palo Alto, CA USA.
RP Zhu, L (reprint author), Univ Tennessee, Knoxville, TN 37996 USA.
EM lzhu12@utk.edu
OI Sun, Kai/0000-0002-0305-2725
FU Electric Power Research Institute; DOE under NSF [EEC1041877]; CURENT
Industry Partnership Program
FX This work is supported by the Electric Power Research Institute and also
makes use of Engineering Research Center Shared Facilities supported by
the DOE under NSF Award Number EEC1041877. Additional support is
provided by the CURENT Industry Partnership Program. The authors
gratefully acknowledge FNET team, Center for ultra-wide-area resilient
electric energy transmission networks (CURENT) in the University of
Tennessee, US Electric Power Research Institute to support this
research.
NR 37
TC 2
Z9 2
U1 2
U2 3
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0378-7796
EI 1873-2046
J9 ELECTR POW SYST RES
JI Electr. Power Syst. Res.
PD JAN
PY 2016
VL 130
BP 1
EP 9
DI 10.1016/j.epsr.2015.08.009
PG 9
WC Engineering, Electrical & Electronic
SC Engineering
GA DA0PB
UT WOS:000367498500001
ER
PT J
AU Porosoff, MD
Yan, BH
Chen, JGG
AF Porosoff, Marc D.
Yan, Binhang
Chen, Jingguang G.
TI Catalytic reduction of CO2 by H-2 for synthesis of CO, methanol and
hydrocarbons: challenges and opportunities
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID WATER-GAS-SHIFT; CARBON-DIOXIDE HYDROGENATION; FISCHER-TROPSCH
SYNTHESIS; PROMOTED CU/SIO2 CATALYST; ACTIVE-SITE; LIGHT OLEFINS;
ELECTROCHEMICAL REDUCTION; HETEROGENEOUS CATALYSIS; BIMETALLIC
CATALYSTS; REACTION-MECHANISM
AB Ocean acidification and climate change are expected to be two of the most difficult scientific challenges of the 21st century. Converting CO2 into valuable chemicals and fuels is one of the most practical routes for reducing CO2 emissions while fossil fuels continue to dominate the energy sector. Reducing CO2 by H-2 using heterogeneous catalysis has been studied extensively, but there are still significant challenges in developing active, selective and stable catalysts suitable for large-scale commercialization. The catalytic reduction of CO2 by H-2 can lead to the formation of three types of products: CO through the reverse water-gas shift (RWGS) reaction, methanol via selective hydrogenation, and hydrocarbons through combination of CO2 reduction with Fischer-Tropsch (FT) reactions. Investigations into these routes reveal that the stabilization of key reaction intermediates is critically important for controlling catalytic selectivity. Furthermore, viability of these processes is contingent on the development of a CO2-free H-2 source on a large enough scale to significantly reduce CO2 emissions.
C1 [Porosoff, Marc D.; Chen, Jingguang G.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA.
[Yan, Binhang; Chen, Jingguang G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.
RP Porosoff, MD (reprint author), Columbia Univ, Dept Chem Engn, 500 W 120th St, New York, NY 10027 USA.
EM jgchen@columbia.edu
FU United States Department of Energy [DE-FG02-13ER16381]
FX The work was sponsored by the United States Department of Energy under
Contract No. DE-FG02-13ER16381.
NR 150
TC 37
Z9 39
U1 97
U2 284
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2016
VL 9
IS 1
BP 62
EP 73
DI 10.1039/c5ee02657a
PG 12
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DA2KC
UT WOS:000367622700004
ER
PT J
AU Doscher, H
Young, JL
Geisz, JF
Turner, JA
Deutsch, TG
AF Doescher, H.
Young, J. L.
Geisz, J. F.
Turner, J. A.
Deutsch, T. G.
TI Solar-to-hydrogen efficiency: shining light on photoelectrochemical
device performance
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID WATER; PHOTOLYSIS; CELLS
AB Illumination characteristics from artificial sources strongly influence the experimental performance of solar water-splitting devices, with the highest impact on tandem structures designed for optimum conversion efficiency. We highlight quantitative and qualitative flaws of common characterization techniques, discuss their impact on research results and strategy, and demonstrate approaches toward advanced measurement accuracy.
C1 [Doescher, H.; Young, J. L.; Geisz, J. F.; Turner, J. A.; Deutsch, T. G.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Doescher, H.] Tech Univ Ilmenau, D-98693 Ilmenau, Germany.
[Doescher, H.] Univ Marburg, D-35037 Marburg, Germany.
[Young, J. L.] Univ Colorado, Boulder, CO 80309 USA.
RP Doscher, H (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM henning.doescher@physik.uni-marburg.de; todd.deutsch@nrel.gov
OI Deutsch, Todd/0000-0001-6577-1226
FU EU Marie Curie fellowship (IOF) [300971]; National Science Foundation
Graduate Research Fellowship [DGE1144083]; U.S. Department of Energy
(DOE) [DE-AC36-08GO28308]; National Renewable Energy Laboratory
FX The authors thank Alan Kibbler for operating the epitaxy system. H. D.
appreciates financial support by an EU Marie Curie fellowship (IOF no.
300971). J. Y. acknowledges support by a National Science Foundation
Graduate Research Fellowship (Grant No. DGE1144083). This work was
supported by the U.S. Department of Energy (DOE) under Contract No.
DE-AC36-08GO28308 with the National Renewable Energy Laboratory.
NR 17
TC 14
Z9 14
U1 12
U2 54
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2016
VL 9
IS 1
BP 74
EP 80
DI 10.1039/c5ee03206g
PG 7
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DA2KC
UT WOS:000367622700005
ER
PT J
AU Singh, MR
Bell, AT
AF Singh, Meenesh R.
Bell, Alexis T.
TI Design of an artificial photosynthetic system for production of alcohols
in high concentration from CO2
SO ENERGY & ENVIRONMENTAL SCIENCE
LA English
DT Article
ID DRIVEN ELECTROCHEMICAL REDUCTION; METASTABLE ZONE WIDTH; CARBON-DIOXIDE;
TERNARY-SYSTEM; PLUS WATER; LIQUID; ELECTROLYTE; MONOXIDE; METHANOL;
ETHANOL
AB Artificial photosynthesis of liquid fuels is a potential source for clean energy. Alcohols are particularly attractive products because of their high energy density and market value per amount of energy input. The major challenges in photo/electrochemical synthesis of alcohols from sunlight, water and CO2 are low product selectivity, high membrane fuel-crossover losses, and high cost of product separation from the electrolyte. Here we propose an artificial photosynthesis scheme for direct synthesis and separation to almost pure ethanol with minimum product crossover using saturated salt electrolytes. The ethanol produced in the saturated salt electrolytes can be readily phase separated into a microemulsion, which can be collected as pure products in a liquid-liquid extractor. A novel design of an integrated artificial photosynthetic system is proposed that continuously produces 490 wt% pure ethanol using a polycrystalline copper cathode at a current density of 0.85 mA cm(-2). The annual production rate of 490 wt% ethanol using such a photosynthesis system operating at 10 mA cm(-2) (12% solar-to-fuel (STF) efficiency) can be 15.27 million gallons per year per square kilometer, which corresponds to 7% of the industrial ethanol production capacity of California.
C1 [Singh, Meenesh R.; Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
[Bell, Alexis T.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Sustainable Chem, Berkeley, CA 94720 USA.
RP Singh, MR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA.
EM alexbell@berkeley.edu
OI Singh, Meenesh/0000-0002-3638-8866
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.
NR 36
TC 2
Z9 2
U1 19
U2 73
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1754-5692
EI 1754-5706
J9 ENERG ENVIRON SCI
JI Energy Environ. Sci.
PY 2016
VL 9
IS 1
BP 193
EP 199
DI 10.1039/c5ee02783g
PG 7
WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical;
Environmental Sciences
SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology
GA DA2KC
UT WOS:000367622700022
ER
PT J
AU Phillips, MB
Leonard, JA
Grulke, CM
Chang, DT
Edwards, SW
Brooks, R
Goldsmith, MR
El-Masri, H
Tan, YM
AF Phillips, Martin B.
Leonard, Jeremy A.
Grulke, Christopher M.
Chang, Daniel T.
Edwards, Stephen W.
Brooks, Raina
Goldsmith, Michael-Rock
El-Masri, Hisham
Tan, Yu-Mei
TI A Workflow to Investigate Exposure and Pharmacokinetic Influences on
High-Throughput in Vitro Chemical Screening Based on Adverse Outcome
Pathways
SO ENVIRONMENTAL HEALTH PERSPECTIVES
LA English
DT Article
ID OCCUPATIONAL-EXPOSURE; DRUG DISCOVERY; TOXICITY; INHIBITION; TOXICOLOGY;
ACETYLCHOLINESTERASE; ECOTOXICOLOGY; APPLICABILITY; CHLORPYRIFOS;
PENTAMIDINE
AB BACKGROUND: Adverse outcome pathways (AOPs) link adverse effects in individuals or populations to a molecular initiating event (MIE) that can be quantified using in vitro methods. Practical application of AOPs in chemical-specific risk assessment requires incorporation of knowledge on exposure, along with absorption, distribution, metabolism, and excretion (ADME) properties of chemicals.
OBJECTIVES: We developed a conceptual workflow to examine exposure and ADME properties in relation to an MIE. The utility of this workflow was evaluated using a previously established AOP, acetylcholinesterase (AChE) inhibition.
METHODS: Thirty chemicals found to inhibit human AChE in the ToxCast (TM) assay were examined with respect to their exposure, absorption potential, and ability to cross the blood-brain barrier (BBB). Structures of active chemicals were compared against structures of 1,029 inactive chemicals to detect possible parent compounds that might have active metabolites.
RESULTS: Application of the workflow screened 10 "low-priority" chemicals of 30 active chemicals. Fifty-two of the 1,029 inactive chemicals exhibited a similarity threshold of >= 75% with their nearest active neighbors. Of these 52 compounds, 30 were excluded due to poor absorption or distribution. The remaining 22 compounds may inhibit AChE in vivo either directly or as a result of metabolic activation.
CONCLUSIONS: The incorporation of exposure and ADME properties into the conceptual workflow eliminated 10 "low-priority" chemicals that may otherwise have undergone additional, resource-consuming analyses. Our workflow also increased confidence in interpretation of in vitro results by identifying possible "false negatives."
C1 [Phillips, Martin B.; Leonard, Jeremy A.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA.
[Grulke, Christopher M.] Lockheed Martin, Res Triangle Pk, NC USA.
[Chang, Daniel T.; Goldsmith, Michael-Rock] Chem Comp Grp Inc, Montreal, PQ, Canada.
[Edwards, Stephen W.; El-Masri, Hisham] US EPA, Natl Hlth & Environm Effects Res Lab, Res Triangle Pk, NC 27711 USA.
[Brooks, Raina] Univ Alabama Birmingham, Dept Epidemiol, Birmingham, AL USA.
[Tan, Yu-Mei] US EPA, Natl Exposure Res Lab, Res Triangle Pk, NC 27711 USA.
RP Tan, YM (reprint author), 109 TW Alexander Dr,Mail Code E205-01, Res Triangle Pk, NC 27709 USA.
EM tan.cecilia@epa.gov
FU Oak Ridge Institute for Science and Education Research Participation
Program at the U.S. EPA
FX M.B.P. and J.A.L. were funded through the Oak Ridge Institute for
Science and Education Research Participation Program at the U.S. EPA.
NR 80
TC 5
Z9 5
U1 3
U2 28
PU US DEPT HEALTH HUMAN SCIENCES PUBLIC HEALTH SCIENCE
PI RES TRIANGLE PK
PA NATL INST HEALTH, NATL INST ENVIRONMENTAL HEALTH SCIENCES, PO BOX 12233,
RES TRIANGLE PK, NC 27709-2233 USA
SN 0091-6765
EI 1552-9924
J9 ENVIRON HEALTH PERSP
JI Environ. Health Perspect.
PD JAN
PY 2016
VL 124
IS 1
BP 53
EP 60
DI 10.1289/ehp.1409450
PG 8
WC Environmental Sciences; Public, Environmental & Occupational Health;
Toxicology
SC Environmental Sciences & Ecology; Public, Environmental & Occupational
Health; Toxicology
GA DA1XQ
UT WOS:000367589600015
PM 25978103
ER
PT J
AU Plaza, DF
Schmieder, SS
Lipzen, A
Lindquist, E
Kunzler, M
AF Plaza, David Fernando
Schmieder, Stefanie Sofia
Lipzen, Anna
Lindquist, Erika
Kuenzler, Markus
TI Identification of a Novel Nematotoxic Protein by Challenging the Model
Mushroom Coprinopsis cinerea with a Fungivorous Nematode
SO G3-GENES GENOMES GENETICS
LA English
DT Article
DE basidiomycete; fungal defense; RNA sequencing; CCTX2; transcriptomics
ID REAL-TIME PCR; COPRINUS-CINEREUS; INNATE IMMUNITY; REFERENCE GENES;
PLANT IMMUNITY; ANTIMICROBIAL PEPTIDES; ASPERGILLUS-NIDULANS; STRUCTURAL
BASIS; EISENIA-ANDREI; HIGHER FUNGI
AB The dung of herbivores, the natural habitat of the model mushroom Coprinopsis cinerea, is a nutrient-rich but also very competitive environment for a saprophytic fungus. We showed previously that C. cinerea expresses constitutive, tissue-specific armories against antagonists such as animal predators and bacterial competitors. In order to dissect the inducible armories against such antagonists, we sequenced the poly(A)-positive transcriptome of C. cinerea vegetative mycelium upon challenge with fungivorous and bacterivorous nematodes, Gram-negative and Gram-positive bacteria and mechanical damage. As a response to the fungivorous nematode Aphelenchus avenae, C. cinerea was found to specifically induce the transcription of several genes encoding previously characterized nematotoxic lectins. In addition, a previously not characterized gene encoding a cytoplasmic protein with several predicted Ricin B-fold domains, was found to be strongly upregulated under this condition. Functional analysis of the recombinant protein revealed a high toxicity toward the bacterivorous nematode Caenorhabditis elegans. Challenge of the mycelium with A. avenae also lead to the induction of several genes encoding putative antibacterial proteins. Some of these genes were also induced upon challenge of the mycelium with the bacteria Escherichia coli and Bacillus subtilis. These results suggest that fungi have the ability to induce specific innate defense responses similar to plants and animals.
C1 [Plaza, David Fernando; Schmieder, Stefanie Sofia; Kuenzler, Markus] ETH, Inst Microbiol, Dept Biol, CH-8093 Zurich, Switzerland.
[Lipzen, Anna; Lindquist, Erika] Joint Genome Inst, Genom Technol, Walnut Creek, CA 94598 USA.
RP Kunzler, M (reprint author), ETH, Inst Microbiol, HCI F413,Vladimirprelog Weg 4, CH-8093 Zurich, Switzerland.
EM mkuenzle@ethz.ch
OI Kunzler, Markus/0000-0003-1275-0629
FU Swiss National Science Foundation [31003A_130671]; Office of Science of
U.S. Department of Energy [DE-AC02-05CH11231]
FX We thank Markus Aebi for his continuing interest, helpful discussions,
and critical reading of the manuscript. This project was supported by
the Swiss National Science Foundation Grant 31003A_130671. Illumina
libraries from C. cinerea Okayama 7 were sequenced as part of the DOE
Joint Genome Institute's Community Sequencing Program 'Functional
genomics in the model mushroom Coprinopsis cinerea'. 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 69
TC 0
Z9 0
U1 6
U2 14
PU GENETICS SOCIETY AMERICA
PI BETHESDA
PA 9650 ROCKVILLE AVE, BETHESDA, MD 20814 USA
SN 2160-1836
J9 G3-GENES GENOM GENET
JI G3-Genes Genomes Genet.
PD JAN 1
PY 2016
VL 6
IS 1
BP 87
EP 98
DI 10.1534/g3.115.023069
PG 12
WC Genetics & Heredity
SC Genetics & Heredity
GA DA3UQ
UT WOS:000367725000009
PM 26585824
ER
PT J
AU Niu, J
Arentshorst, M
Nair, PDS
Dai, ZY
Baker, SE
Frisvad, JC
Nielsen, KF
Punt, PJ
Ram, AFJ
AF Niu, Jing
Arentshorst, Mark
Nair, P. Deepa S.
Dai, Ziyu
Baker, Scott E.
Frisvad, Jens C.
Nielsen, Kristian F.
Punt, Peter J.
Ram, Arthur F. J.
TI Identification of a Classical Mutant in the Industrial Host Aspergillus
niger by Systems Genetics: LaeA Is Required for Citric Acid Production
and Regulates the Formation of Some Secondary Metabolites
SO G3-GENES GENOMES GENETICS
LA English
DT Article
DE organic acids; filamentous fungi; bulk segregant analysis; parasexual
cycle; genome sequencing
ID BULK SEGREGANT ANALYSIS; FILAMENTOUS FUNGI;
BIOCHEMICAL-CHARACTERIZATION; FUSARIUM-VERTICILLIOIDES;
PENICILLIUM-CHRYSOGENUM; TARGET PROTEINS; AMBIENT PH; PYRG-GENE;
EXPRESSION; PROTEASES
AB The asexual filamentous fungus Aspergillus niger is an important industrial cell factory for citric acid production. In this study, we genetically characterized a UV-generated A. niger mutant that was originally isolated as a nonacidifying mutant, which is a desirable trait for industrial enzyme production. Physiological analysis showed that this mutant did not secrete large amounts of citric acid and oxalic acid, thus explaining the nonacidifying phenotype. As traditional complementation approaches to characterize the mutant genotype were unsuccessful, we used bulk segregant analysis in combination with high-throughput genome sequencing to identify the mutation responsible for the nonacidifying phenotype. Since A. niger has no sexual cycle, parasexual genetics was used to generate haploid segregants derived from diploids by loss of whole chromosomes. We found that the nonacidifying phenotype was caused by a point mutation in the laeA gene. LaeA encodes a putative methyltransferase-domain protein, which we show here to be required for citric acid production in an A. niger lab strain (N402) and in other citric acid production strains. The unexpected link between LaeA and citric acid production could provide new insights into the transcriptional control mechanisms related to citric acid production in A. niger. Interestingly, the secondary metabolite profile of a Delta laeA strain differed from the wild-type strain, showing both decreased and increased metabolite levels, indicating that LaeA is also involved in regulating the production of secondary metabolites. Finally, we show that our systems genetics approach is a powerful tool to identify trait mutations.
C1 [Niu, Jing; Arentshorst, Mark; Nair, P. Deepa S.; Punt, Peter J.; Ram, Arthur F. J.] Leiden Univ, Inst Biol Leiden, Mol Microbiol & Biotechnol, NL-2333 BE Leiden, Netherlands.
[Dai, Ziyu] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA.
[Baker, Scott E.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA.
[Frisvad, Jens C.; Nielsen, Kristian F.] Tech Univ Denmark, Dept Syst Biol, DK-2800 Lyngby, Denmark.
[Punt, Peter J.] Dutch DNA Biotech, NL-3700 AJ Zeist, Netherlands.
RP Ram, AFJ (reprint author), Leiden Univ, Sylvius Lab, Inst Biol Leiden, Mol Microbiol & Biotechnol, Sylviusweg 72, NL-2333 BE Leiden, Netherlands.
EM a.f.j.ram@biology.leidenuniv.nl
RI Nielsen, Kristian/C-7233-2011
OI Nielsen, Kristian/0000-0002-5848-0911
FU China Scholarship Council; PNNL Technical Development Use at Facility
Funds
FX We thank Idriss Iziyi, Abeer Hossain, Ulrike Gericke, and Karin Overkamp
for technical assistance. Peter van de Vondervoort, Fons Debets, and
Kees van den Hondel are acknowledged for advice and stimulating
discussions. We thank Frans Klis for helpful comments on the manuscript.
We are grateful to Agilent Technologies for the Thought Leader Donation
of the Agilent UHPLC-QTOF system. J.N. is supported by a grant from the
China Scholarship Council. S.E.B. and Z.D. were supported by PNNL
Technical Development Use at Facility Funds.
NR 86
TC 6
Z9 7
U1 7
U2 28
PU GENETICS SOCIETY AMERICA
PI BETHESDA
PA 9650 ROCKVILLE AVE, BETHESDA, MD 20814 USA
SN 2160-1836
J9 G3-GENES GENOM GENET
JI G3-Genes Genomes Genet.
PD JAN 1
PY 2016
VL 6
IS 1
BP 193
EP 204
DI 10.1534/g3.115.024067
PG 12
WC Genetics & Heredity
SC Genetics & Heredity
GA DA3UQ
UT WOS:000367725000019
PM 26566947
ER
PT J
AU Zhu, MQ
Frandsen, C
Wallace, AF
Legg, B
Khalid, S
Zhang, H
Morup, S
Banfield, JF
Waychunas, GA
AF Zhu, Mengqiang
Frandsen, Cathrine
Wallace, Adam F.
Legg, Benjamin
Khalid, Syed
Zhang, Hengzhong
Morup, Steen
Banfield, Jillian F.
Waychunas, Glenn A.
TI Precipitation pathways for ferrihydrite formation in acidic solutions
SO GEOCHIMICA ET COSMOCHIMICA ACTA
LA English
DT Article
ID K-EDGE EXAFS; RAY-ABSORPTION-SPECTROSCOPY; AQUEOUS-SOLUTIONS; GROWTH
MECHANISMS; PO4 IONS; IRON OXYHYDROXIDES; MOSSBAUER-SPECTROSCOPY; FE
OXYHYDROXIDE; FERRIC IRON; KEGGIN ION
AB Iron oxides and oxyhydroxides form via Fe3+ hydrolysis and polymerization in many aqueous environments, but the pathway from Fe3+ monomers to oligomers and then to solid phase nuclei is unknown. In this work, using combined X-ray, UV-vis, and Mossbauer spectroscopic approaches, we were able to identify and quantify the long-time sought ferric speciation over time during ferric oxyhydroxide formation in partially-neutralized ferric nitrate solutions ([Fe3+] = 0.2 M, 1.8 < pH < 3). Results demonstrate that Fe exists mainly as Fe(H2O)(6)(3+), mu-oxo aquo dimers and ferrihydrite, and that with time, the mu-oxo dimer decreases while the other two species increase in their concentrations. No larger Fe oligomers were detected. Given that the structure of the mu-oxo dimer is incompatible with those of all Fe oxides and oxyhydroxides, our results suggest that reconfiguration of the mu-oxo dimer structure occurs prior to further condensation leading up to the nucleation of ferrihydrite. The structural reconfiguration is likely the rate-limiting step involved in the nucleation process. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Zhu, Mengqiang] Univ Wyoming, Dept Ecosyst Sci & Management, Laramie, WY 82071 USA.
[Zhu, Mengqiang; Banfield, Jillian F.; Waychunas, Glenn A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Frandsen, Cathrine; Morup, Steen] Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark.
[Wallace, Adam F.] Univ Delaware, Dept Geol Sci, Newark, DE 19713 USA.
[Legg, Benjamin; Zhang, Hengzhong] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
[Khalid, Syed] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA.
RP Zhu, MQ (reprint author), Univ Wyoming, Dept Ecosyst Sci & Management, Laramie, WY 82071 USA.
EM mzhu6@uwyo.edu
RI Frandsen, Cathrine/A-5729-2011
OI Frandsen, Cathrine/0000-0001-5006-924X
FU U.S. Department of Energy, Office of Basic Energy Sciences
[DE-AC02-05CH11231]; U.S. National Science Foundation [EAR-1529937];
Danish council for independent research; U.S. DOE Office of Science,
Office of Basic Energy Sciences [DE-AC02-98CH10886]; DOE Office of
Science [DE-AC02-06CH11357]; U.S. Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]
FX The work was supported by the U.S. Department of Energy, Office of Basic
Energy Sciences, under Award Number DE-AC02-05CH11231 to Lawrence
Berkeley National laboratory. M. Z. also thanks the partial support from
the U.S. National Science Foundation under Grant EAR-1529937. C.F.
acknowledges funding from the Danish council for independent research.
Use of the National Synchrotron Light Source, Brookhaven National
Laboratory was supported by the U.S. DOE Office of Science, Office of
Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. This
research used resources of the Advanced Photon Source, a U.S. Department
of Energy (DOE) Office of Science User Facility operated for the DOE
Office of Science by Argonne National Laboratory under Contract No.
DE-AC02-06CH11357. Use of the Stanford Synchrotron Radiation
Lightsource, SLAC National Accelerator Laboratory, is supported by the
U.S. Department of Energy, Office of Science, Office of Basic Energy
Sciences under Contract No. DE-AC02-76SF00515.
NR 75
TC 8
Z9 8
U1 22
U2 55
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0016-7037
EI 1872-9533
J9 GEOCHIM COSMOCHIM AC
JI Geochim. Cosmochim. Acta
PD JAN 1
PY 2016
VL 172
BP 247
EP 264
DI 10.1016/j.gca.2015.09.015
PG 18
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DA1AP
UT WOS:000367529000015
ER
PT J
AU Villa, IM
Bonardi, ML
De Bievre, P
Holden, NE
Renne, PR
AF Villa, I. M.
Bonardi, M. L.
De Bievre, P.
Holden, N. E.
Renne, P. R.
TI IUPAC-IUGS status report on the half-lives of U-238, U-235 and U-234
SO GEOCHIMICA ET COSMOCHIMICA ACTA
LA English
DT Article
ID CA-TIMS METHOD; MASS-SPECTROMETRY; DECAY CONSTANTS; ISOTOPE
FRACTIONATION; TECHNICAL REPORT; ATOMIC WEIGHTS; SOLAR-SYSTEM; DOUBLE
SPIKE; URANIUM; PB
AB The current state of knowledge on the half-lives of the long-lived U radionuclides has been reviewed by the IUPAC-IUGS joint Task Group "Isotopes in Geosciences". U-238 is assigned a half-life of (4.4683 +/- 0.0096) Ga, i.e. a decay constant lambda(238) = (0.155125 +/- 0.000333) Ga-1. The coverage factor is k = 2 for this and all other estimates presented here. The U-238 half-life can be used as a reference for the half-lives/decay constants of all other isotopic geochronometers.
A revision of the half-life of U-235 based on intercomparison of natural geological samples is premature. The improved repeatability of mass spectrometric measurements has revealed Type B uncertainties that had been dismissed as subordinate in the past. The combined uncertainty of these as yet incompletely charted and quantified sources of Type B uncertainty may be no smaller than the currently accepted uncertainty of the alpha counting experiments.
A provisional value for the U-234 half-life can be calculated with the assumption of secular equilibrium in the analyzed natural samples. This assumption has not yet been verified independently and its metrological traceability appears sub-optimum. A Type B evaluation suggests that the ca. 0.17% offset between the N(U-234)/N(U-238) number-ratios of the natural samples used to estimate the U-235 half-life and those of the four samples used to estimate the U-234 half-life should be compounded into the standard measurement uncertainty of the latter. The resulting provisional uncertainty interval (k = 2) for the U-234 half-life is (244.55-247.77) ka, corresponding to lambda(234) = (2.8203-2.8344) Ma(-1). (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Villa, I. M.; Bonardi, M. L.; De Bievre, P.; Holden, N. E.; Renne, P. R.] Univ Bern, Inst Geol, Joint IUPAC IUGS Task Grp Isotope Data Geosci, CH-3012 Bern, Switzerland.
[Villa, I. M.; Renne, P. R.] Int Union Geol Sci, Beijing 100037, Peoples R China.
[Bonardi, M. L.; De Bievre, P.; Holden, N. E.] Int Union Pure & Appl Chem, Res Triangle Pk, NC 27709 USA.
[Villa, I. M.] Univ Bern, Inst Geol, CH-3012 Bern, Switzerland.
[Villa, I. M.] Univ Milano Bicocca, Ctr Univ Dataz & Archeometria, I-20126 Milan, Italy.
[Bonardi, M. L.] Univ Milan, LASA, I-20090 Segrate, Italy.
[Bonardi, M. L.] INFN, I-20090 Segrate, Italy.
[De Bievre, P.] Metrology, Chem, B-2460 Kasterlee, Belgium.
[Holden, N. E.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA.
[Renne, P. R.] Berkeley Geochronol Ctr, Berkeley, CA 94720 USA.
[Renne, P. R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA.
RP Villa, IM (reprint author), Univ Bern, Inst Geol, CH-3012 Bern, Switzerland.
OI Villa, Igor M/0000-0002-8070-8142
FU International Union of Geological Sciences; International Unit of Pure
and Applied Chemistry
FX Reviews by Friedrich Begemann, Dan Condon, Blair Schoene, and three
anonymous referees, as well as substantial editorial input by Yuri
Amelin and Frank Podosek, are very gratefully acknowledged. The TGIG was
funded in equal parts by the International Union of Geological Sciences
and the International Unit of Pure and Applied Chemistry.
NR 39
TC 5
Z9 5
U1 2
U2 7
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0016-7037
EI 1872-9533
J9 GEOCHIM COSMOCHIM AC
JI Geochim. Cosmochim. Acta
PD JAN 1
PY 2016
VL 172
BP 387
EP 392
DI 10.1016/j.gca.2015.10.011
PG 6
WC Geochemistry & Geophysics
SC Geochemistry & Geophysics
GA DA1AP
UT WOS:000367529000022
ER
PT J
AU Aravena, D
Munoz, M
Morata, D
Lahsen, A
Parada, MA
Dobson, P
AF Aravena, Diego
Munoz, Mauricio
Morata, Diego
Lahsen, Alfredo
Angel Parada, Miguel
Dobson, Patrick
TI Assessment of high enthalpy geothermal resources and promising areas of
Chile
SO GEOTHERMICS
LA English
DT Article
DE Geothermal power potential; High enthalpy; Chilean Andes; USGS Heat in
Place; Monte Carlo
ID NORTHERN CHILE; VOLCANIC ZONE; DISCHARGES; SYSTEM; FIELD; FLOW
AB This work aims to assess geothermal power potential in identified high enthalpy geothermal areas in the Chilean Andes, based on reservoir temperature and volume. In addition, we present a set of highly favorable geothermal areas, but without enough data in order to quantify the resource. Information regarding geothermal systems was gathered and ranked to assess Indicated or Inferred resources, depending on the degree of confidence that a resource may exist as indicated by the geoscientific information available to review. Resources were estimated through the USGS Heat in Place method. A Monte Carlo approach is used to quantify variability in boundary conditions. Estimates of total Indicated resource are confined to 3 geothermal systems; Apacheta, El Tatio and Tolhuaca, yielding a total value of 228 +/- 154 MWe. The estimates of the total Inferred resources for Chile include 6 geothermal systems and yield a total value of 431 +/- 321 MWe. Standard deviation reflects the high variability of reservoir specific parameters for each system. A set of 65 favorable geothermal areas are proposed as the most likely future development targets. Eight of them have initial exploration results that suggest they are highly favorable targets as potential geothermal resources. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Aravena, Diego; Munoz, Mauricio; Morata, Diego; Lahsen, Alfredo; Angel Parada, Miguel] Univ Chile, CEGA, Fac Ciencias Fis & Matemat, Santiago, Chile.
[Aravena, Diego; Munoz, Mauricio; Morata, Diego; Lahsen, Alfredo; Angel Parada, Miguel] Univ Chile, Dept Geol, Fac Ciencias Fis & Matemat, Santiago, Chile.
[Dobson, Patrick] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Aravena, D (reprint author), Univ Chile, CEGA, Plaza Ercilla 803, Santiago, Chile.
EM daravena@ing.uchile.cl; maumunoz@ing.uchile.cl
RI Dobson, Patrick/D-8771-2015; Morata, Diego/G-4871-2016; Parada, Miguel
Angel/I-6755-2016
OI Dobson, Patrick/0000-0001-5031-8592; Morata, Diego/0000-0002-9751-2429;
Parada, Miguel Angel/0000-0002-8049-7576
FU FONDAP/CONICYT (Centro de Excelencia en Geotermia de los Andes, CEGA)
[15090013]; Departamento de Geologia, FCFM, Universidad de Chile;
Lawrence Berkeley National Laboratory under U.S. Department of Energy;
U.S. Department of Energy [DE-AC02-05CH11231]
FX This work has been supported by the FONDAP/CONICYT Project number
15090013 (Centro de Excelencia en Geotermia de los Andes, CEGA) and
Departamento de Geologia, FCFM, Universidad de Chile. P. Dobson was
supported by Lawrence Berkeley National Laboratory under U.S. Department
of Energy, Assistant Secretary for Energy Efficiency and Renewable
Energy, Geothermal Technologies Office, under the U.S. Department of
Energy Contract no. DE-AC02-05CH11231. The authors would especially like
to thank Dra. Jennifer Blank and two anonymous reviewers for their
valuable comments.
NR 77
TC 1
Z9 1
U1 4
U2 17
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD JAN
PY 2016
VL 59
BP 1
EP 13
DI 10.1016/j.geothermics.2015.09.001
PN A
PG 13
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA DA4NS
UT WOS:000367777200001
ER
PT J
AU Siler, DL
Kennedy, BM
AF Siler, Drew L.
Kennedy, B. Mack
TI Regional crustal-scale structures as conduits for deep geothermal upflow
SO GEOTHERMICS
LA English
DT Article
DE Exploration; Geothermal; Structure; Helium; Deep fluid flow; Great
Basin; McGinness Hills; Dixie Valley
ID WESTERN UNITED-STATES; NORTH-CENTRAL NEVADA; GOLD DEPOSITS; RANGE
PROVINCE; MANTLE HELIUM; THRUST BELT; FAULT-ZONE; CALIFORNIA; BASIN;
SYSTEM
AB Geothermal fluids produced from two of the largest production geothermal fields in the Great Basin have helium isotope ratios that are anomalously high relative to basin-wide trends. These data indicate that the geothermal systems, Dixie Valley, Nevada and McGinness Hills, Nevada have an anomalously high fraction of mantle derived fluid. These connections to deeply derived fluid and heat may supplement crustal heat production and be responsible, in part, for the anomalously high production capacity, relative to other Great Basin geothermal fields, that Dixie Valley and McGinness Hills support. Deep-seated crustal structures across the Great Basin and around the world are known to be associated with structural reactivation, can have relatively high permeability, and can act as fluid flow conduits. These deep seated structures across the Great Basin control upflow of deeply derived heat and fluids into the shallow geothermal systems at Dixie Valley and McGinness Hills, contributing to their productivity. (C) 2015 Published by Elsevier Ltd.
C1 [Siler, Drew L.; Kennedy, B. Mack] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
RP Siler, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
EM dlsiler@lbl.gov
RI Siler, Drew/D-1508-2015
OI Siler, Drew/0000-0001-7540-8244
FU Lawrence Berkeley National Laboratory under U.S. Department of Energy;
U.S. Department of Energy [DE-AC02-05CH11231]
FX Discussions and comments from Phil Wannamaker and an anonymous reviewer
greatly improved this paper. This work was supported by Lawrence
Berkeley National Laboratory under U.S. Department of Energy, Assistant
Secretary for Energy Efficiency and Renewable Energy, Geothermal
Technologies Program, under the U.S. Department of Energy Contract No.
DE-AC02-05CH11231. Thanks to Mark Coolbaugh for compiling the power
plant capacity data.
NR 101
TC 3
Z9 3
U1 3
U2 6
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0375-6505
EI 1879-3576
J9 GEOTHERMICS
JI Geothermics
PD JAN
PY 2016
VL 59
BP 27
EP 37
DI 10.1016/j.geothermics.2015.10.007
PN A
PG 11
WC Energy & Fuels; Geosciences, Multidisciplinary
SC Energy & Fuels; Geology
GA DA4NS
UT WOS:000367777200003
ER
PT J
AU Palty, R
Isacoff, EY
AF Palty, Raz
Isacoff, Ehud Y.
TI Cooperative Binding of Stromal Interaction Molecule 1 (STIM1) to the N
and C Termini of Calcium Release-activated Calcium Modulator 1 (Orai1)
SO JOURNAL OF BIOLOGICAL CHEMISTRY
LA English
DT Article
DE calcium channel; calcium release-activated calcium channel protein 1
(ORAI1); gating; ion channel; stromal interaction molecule 1 (STIM1)
ID CRAC CHANNEL ACTIVATION; OPERATED CA2+ ENTRY; PLASMA-MEMBRANE; DOMAIN;
PROTEIN; SENSOR; OLIGOMERIZATION; CONFORMATION; DEPLETION; COUPLES
AB Calcium flux through store-operated calcium entry is a central regulator of intracellular calcium signaling. The two key components of the store-operated calcium release-activated calcium channel are the Ca2+-sensing protein stromal interaction molecule 1 (STIM1) and the channel pore-forming protein Orai1. During store-operated calcium entry activation, calcium depletion from the endoplasmic reticulum triggers a series of conformational changes in STIM1 that unmask a minimal Orai1-activating domain (CRAC activation region (CAD)). To gate Orai1 channels, the exposed STIM1-activating domain binds to two sites in Orai1, one in the N terminus and one in the C terminus. Whether the two sites operate as distinct binding domains or cooperate in CAD binding is unknown. In this study, we show that the N and C-terminal domains of Orai1 synergistically contribute to the interaction with STIM1 and couple STIM1 binding with channel gating and modulation of ion selectivity.
C1 [Palty, Raz; Isacoff, Ehud Y.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA.
[Isacoff, Ehud Y.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA.
[Isacoff, Ehud Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.
RP Isacoff, EY (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.
EM ehud@berkeley.edu
FU American Heart Association Postdoctoral Fellowship [13POST14000008];
National Institutes of Health [R01 NS35549]
FX This work was supported by American Heart Association Postdoctoral
Fellowship 13POST14000008 (to R.P.) and National Institutes of Health
Grant R01 NS35549 (to E.Y.I.). The authors declare that they have no
conflicts of interest with the contents of this article. The content is
solely the responsibility of the authors and does not necessarily
represent the official views of the National Institutes of Health.
NR 31
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U1 1
U2 2
PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC
PI BETHESDA
PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA
SN 0021-9258
EI 1083-351X
J9 J BIOL CHEM
JI J. Biol. Chem.
PD JAN 1
PY 2016
VL 291
IS 1
BP 334
EP 341
DI 10.1074/jbc.M115.685289
PG 8
WC Biochemistry & Molecular Biology
SC Biochemistry & Molecular Biology
GA DA1XP
UT WOS:000367589500026
PM 26546674
ER
PT J
AU Zeigler, BP
Nutaro, JJ
AF Zeigler, Bernard P.
Nutaro, James J.
TI Towards a framework for more robust validation and verification of
simulation models for systems of systems
SO JOURNAL OF DEFENSE MODELING AND SIMULATION-APPLICATIONS METHODOLOGY
TECHNOLOGY-JDMS
LA English
DT Article
DE Validation; verification; modeling and simulation; experimental frames;
intended use; Discrete Event System Specification
AB We present a framework for verification and validation of simulation models of System of Systems that is based on an existing framework for modeling and simulation. The framework addresses problems arising especially in recently emerging Systems of Systems such as cyber-physical autonomous cooperative systems. The design of such systems presents challenges to the currently employed independent use of simplified models for formal verification or brute-force simulations which are severely limited in the range of conditions they can test. The proposed framework is applied to integration of formal analytic and simulation verification methods where there is a need to have confidence that the properties proved for idealized abstract models also hold in more realistic models which gave rise to the abstractions. Taking both logical and probabilistic perspectives clarifies the situation and suggests where more research is needed.
C1 [Zeigler, Bernard P.] RTSync Corp, Phoenix, AZ 85042 USA.
[Zeigler, Bernard P.] Arizona Ctr Integrat Modeling & Simulat, Tucson, AZ USA.
[Nutaro, James J.] Oak Ridge Natl Lab, M&S Grp, Oak Ridge, TN USA.
RP Zeigler, BP (reprint author), RTSync Corp, Phoenix, AZ 85042 USA.
EM zeigler@ece.arizona.edu
OI Nutaro, James/0000-0001-7360-2836
NR 55
TC 1
Z9 1
U1 2
U2 2
PU SAGE PUBLICATIONS INC
PI THOUSAND OAKS
PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA
SN 1548-5129
EI 1557-380X
J9 J DEF MODEL SIMUL-AP
JI J. Def. Model. Simul.-Appl. Methodol. Technol.-JDMS
PD JAN
PY 2016
VL 13
IS 1
BP 3
EP 16
DI 10.1177/1548512914568657
PG 14
WC Engineering, Multidisciplinary
SC Engineering
GA DA5IF
UT WOS:000367836000001
ER
PT J
AU Nutaro, J
Allgood, G
Kuruganti, T
AF Nutaro, James
Allgood, Glenn
Kuruganti, Teja
TI Towards improving software security by using simulation to inform
requirements and conceptual design
SO JOURNAL OF DEFENSE MODELING AND SIMULATION-APPLICATIONS METHODOLOGY
TECHNOLOGY-JDMS
LA English
DT Article
DE Cyber-security; simulation; requirements; design; reliability;
supervisory control
ID RESILIENCE; SYSTEMS
AB In this article we illustrate the use of modeling and simulation early in the system life-cycle to improve security and reduce costs. The models that we develop for this illustration are inspired by problems in reliability analysis and supervisory control, for which similar models are used to quantify failure probabilities and rates. In the context of security, we propose that models of this general type can be used to understand trades between risk and cost while writing system requirements and during conceptual design, and thereby significantly reduce the need for expensive security corrections after a system enters operation.
C1 [Nutaro, James] Oak Ridge Natl Lab, Computat Sci & Engn Div, Modeling & Simulat Grp, Oak Ridge, TN 37831 USA.
[Allgood, Glenn] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA.
[Kuruganti, Teja] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA.
RP Nutaro, J (reprint author), Oak Ridge Natl Lab, One Bethel Valley Rd, Oak Ridge, TN 37831 USA.
EM nutarojj@ornl.gov
OI Nutaro, James/0000-0001-7360-2836
NR 21
TC 0
Z9 0
U1 0
U2 1
PU SAGE PUBLICATIONS INC
PI THOUSAND OAKS
PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA
SN 1548-5129
EI 1557-380X
J9 J DEF MODEL SIMUL-AP
JI J. Def. Model. Simul.-Appl. Methodol. Technol.-JDMS
PD JAN
PY 2016
VL 13
IS 1
BP 35
EP 41
DI 10.1177/1548512915591049
PG 7
WC Engineering, Multidisciplinary
SC Engineering
GA DA5IF
UT WOS:000367836000004
ER
PT J
AU Turick, CE
Berry, CJ
AF Turick, Charles E.
Berry, Christopher J.
TI Review of concrete biodeterioration in relation to nuclear waste
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Review
DE Concrete; Biodegradation; Nuclear waste storage; Biogeochemistry;
Biofilms
ID MICROBIALLY-INFLUENCED DEGRADATION; SULFUR-OXIDIZING BACTERIA; CORRODED
CONCRETE; SEWER PIPES; CORROSION; CEMENT; DETERIORATION; BIOFILMS;
BIODEGRADATION; SYSTEMS
AB Storage of radioactive waste in concrete structures is a means of containing wastes and related radio-nuclides generated from nuclear operations in many countries. Previous efforts related to microbial impacts on concrete structures that are used to contain radioactive waste showed that microbial activity can play a significant role in the process of concrete degradation and ultimately structural deterioration.
This literature review examines the research in this field and is focused on specific parameters that are applicable to modeling and prediction of the fate of concrete structures used to store or dispose of radioactive waste. Rates of concrete biodegradation vary with the environmental conditions, illustrating a need to understand the bioavailability of key compounds involved in microbial activity. Specific parameters require pH and osmotic pressure to be within a certain range to allow for microbial growth as well as the availability and abundance of energy sources such as components involved in sulfur, iron and nitrogen oxidation. Carbon flow and availability are also factors to consider in predicting concrete biodegradation.
The microbial contribution to degradation of the concrete structures containing radioactive waste is a constant possibility. The rate and degree of concrete biodegradation is dependent on numerous physical, chemical and biological parameters. Parameters to focus on for modeling activities and possible options for mitigation that would minimize concrete biodegradation are discussed and include key conditions that drive microbial activity on concrete surfaces. (C) 2015 Published by Elsevier Ltd.
C1 [Turick, Charles E.; Berry, Christopher J.] Savannah River Natl Lab, Environm Sci & Biotechnol, Aiken, SC 29808 USA.
RP Turick, CE (reprint author), Savannah River Natl Lab, Environm Sci & Biotechnol, Bldg 999-W, Aiken, SC 29808 USA.
EM Charles.Turick@srnl.doe.gov
FU U.S. Department of Energy [DE-AC09-08SR22470]
FX This work was funded by the U.S. Department of Energy under contract
number DE-AC09-08SR22470.
NR 61
TC 1
Z9 1
U1 16
U2 33
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD JAN
PY 2016
VL 151
BP 12
EP 21
DI 10.1016/j.jenvrad.2015.09.005
PN 1
PG 10
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA DA4JZ
UT WOS:000367767500002
PM 26397745
ER
PT J
AU Snow, MS
Snyder, DC
AF Snow, Mathew S.
Snyder, Darin C.
TI Cs-135/Cs-137 isotopic composition of environmental samples across
Europe: Environmental transport and source term emission applications
SO JOURNAL OF ENVIRONMENTAL RADIOACTIVITY
LA English
DT Article
DE Cs-135; Cs-137; Chernobyl; Sellafield; Attribution
ID CHERNOBYL ACCIDENT; RADIOACTIVE CONTAMINATION; GAMMA-EMITTERS; NUCLEAR;
RATIOS; CS-137; SOIL; FALLOUT; CS-137/CS-135; RADIOCESIUM
AB Cs-135/Cs-137 isotopic analyses represent an important tool for studying the fate and transport of radiocesium in the environment; in this work the Cs-135/Cs-137 isotopic composition in environmental samples taken from across Europe is reported. Surface soil and vegetation samples from western Russia, Ukraine, Austria, and Hungary show consistent aged thermal fission product Cs-135/Cs-137 isotope ratios of 0.58 +/- 0.01 (age corrected to 1/1/15), with the exception of one sample of soil-moss from Hungary which shows an elevated Cs-135/Cs-137 ratio of 1.78 +/- 0.12. With the exception of the outlier sample from Hungary, surface soil/vegetation data are in quantitative agreement with values previously reported for soils within the Chernobyl exclusion zone, suggesting that radiocesium at these locations is primarily composed of homogenous airborne deposition from Chernobyl. Seawater samples taken from the Irish Sea show Cs-135/Cs-137 isotope ratios of 1.22 +/- 0.11 (age corrected to 1/1/15), suggesting aged thermal fission product Cs discharged from Sellafield. The differences in Cs-135/Cs-137 isotope ratios between Sellafield, Chernobyl, and global nuclear weapons testing fallout indicate that Cs-135/Cs-137 isotope ratios can be utilized to discriminate between and track radiocesium transport from different nuclear production source terms, including major emission sources in Europe. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Snow, Mathew S.; Snyder, Darin C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Snow, MS (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA.
EM mathew.snow@inl.gov
RI Snyder, Darin/B-6863-2017
OI Snyder, Darin/0000-0001-8104-4248
FU U.S. Department of Homeland Security [2012-DN-130-NF0001-02]; Battelle
Energy Alliance, LLC [DE-AC07-05ID14517]; U.S. Department of Energy
FX This material is based upon work supported in part by the U.S.
Department of Homeland Security under Grant Award Number,
2012-DN-130-NF0001-02, and in part, by Battelle Energy Alliance, LLC
under Contract No. DE-AC07-05ID14517 with the U.S. Department of Energy.
Neither the U.S. 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.
References 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 U.S. Government or any agency thereof. Views and
opinions of the authors expressed herein do not necessarily state or
reflect those of the U.S. Government or any agency thereof.
NR 45
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U1 4
U2 13
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0265-931X
EI 1879-1700
J9 J ENVIRON RADIOACTIV
JI J. Environ. Radioact.
PD JAN
PY 2016
VL 151
BP 258
EP 263
DI 10.1016/j.jenvrad.2015.10.025
PN 1
PG 6
WC Environmental Sciences
SC Environmental Sciences & Ecology
GA DA4JZ
UT WOS:000367767500030
PM 26540258
ER
PT J
AU White, AC
Rogers, A
Rees, M
Osborne, CP
AF White, Angela C.
Rogers, Alistair
Rees, Mark
Osborne, Colin P.
TI How can we make plants grow faster? A source-sink perspective on growth
rate
SO JOURNAL OF EXPERIMENTAL BOTANY
LA English
DT Review
DE Carbon; crops; models; nitrogen; plant growth; regulation; sink; source
ID ELEVATED CARBON-DIOXIDE; VEGETATIVE STORAGE PROTEIN; AIR CO2 ENRICHMENT;
NITRATE REDUCTASE; WHEAT PLANTS; CROP YIELD; TREHALOSE
6-PHOSPHATE/SNRK1; PHOTOSYNTHETIC ACCLIMATION; LEAF PHOTOSYNTHESIS;
RESOURCE-ALLOCATION
AB Growth is a major component of fitness in all organisms, an important mediator of competitive interactions in plant communities, and a central determinant of yield in crops. Understanding what limits plant growth is therefore of fundamental importance to plant evolution, ecology, and crop science, but each discipline views the process from a different perspective. This review highlights the importance of source-sink interactions as determinants of growth. The evidence for source-and sink-limitation of growth, and the ways in which regulatory molecular feedback systems act to maintain an appropriate source: sink balance, are first discussed. Evidence clearly shows that future increases in crop productivity depend crucially on a quantitative understanding of the extent to which sources or sinks limit growth, and how this changes during development. To identify bottlenecks limiting growth and yield, a holistic view of growth is required at the whole-plant scale, incorporating mechanistic interactions between physiology, resource allocation, and plant development. Such a holistic perspective on source-sink interactions will allow the development of a more integrated, whole-system level understanding of growth, with benefits across multiple disciplines.
C1 [White, Angela C.; Rees, Mark; Osborne, Colin P.] Univ Sheffield, Dept Anim & Plant Sci, Sheffield S10 2TN, S Yorkshire, England.
[Rogers, Alistair] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA.
RP White, AC (reprint author), Univ Sheffield, Dept Anim & Plant Sci, Sheffield S10 2TN, S Yorkshire, England.
EM angela.white@sheffield.ac.uk; c.p.osborne@sheffield.ac.uk
RI Rogers, Alistair/E-1177-2011
OI Rogers, Alistair/0000-0001-9262-7430
FU Society for Experimental Biology (SEB); United States Department of
Energy [DE-SC00112704]; Next-Generation Ecosystem Experiments (NGEE
Tropics) project by the Office of Biological and Environmental Research
in the Department of Energy, Office of Science
FX We thank Professor Andrew Fleming (Department of Animal and Plant
Sciences, University of Sheffield) for helpful discussions relating to
the manuscript. We are grateful to the three anonymous reviewers who
provided constructive and insightful comments that significantly
improved the manuscript. We thank Tiffany Bowman (Brookhaven National
Laboratory) for assistance with graphic design. AW was supported by a
PhD studentship from the Society for Experimental Biology (SEB). AR was
supported by the United States Department of Energy contract No.
DE-SC00112704 to Brookhaven National Laboratory and by the
Next-Generation Ecosystem Experiments (NGEE Tropics) project that is
supported by the Office of Biological and Environmental Research in the
Department of Energy, Office of Science.
NR 142
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U1 33
U2 122
PU OXFORD UNIV PRESS
PI OXFORD
PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND
SN 0022-0957
EI 1460-2431
J9 J EXP BOT
JI J. Exp. Bot.
PD JAN
PY 2016
VL 67
IS 1
BP 31
EP 45
DI 10.1093/jxb/erv447
PG 15
WC Plant Sciences
SC Plant Sciences
GA DA5BE
UT WOS:000367816300003
PM 26466662
ER
PT J
AU Yan, ZZ
Tracy, C
Veeraraghavan, M
Jin, T
Liu, ZY
AF Yan, Zhenzhen
Tracy, Chris
Veeraraghavan, Malathi
Jin, Tian
Liu, Zhengyang
TI A Network Management System for Handling Scientific Data Flows
SO JOURNAL OF NETWORK AND SYSTEMS MANAGEMENT
LA English
DT Article
DE NetFlow traffic analysis; Elephant flows; Scientific computing; Research
and education networks (RENs); MPLS; Virtual circuits
ID INTERNET; MPLS
AB Large scientific data transfers often occur at high rates causing increased burstiness in Internet traffic. To limit the adverse effects of these high-rate large-sized flows, which are referred to as flows, on delay-sensitive audio/video flows, a network management system called Alpha Flow Traffic Engineering System (AFTES) is proposed for intra-domain traffic engineering. An offline approach is used in which AFTES analyzes NetFlow records collected by routers, extracts source-destination address prefixes of flows, and uses these prefixes to configure firewall filters at ingress routers of a provider's network to redirect future flows to traffic-engineered paths and isolated queues. The effectiveness of this scheme was evaluated through an analysis of 7 months of NetFlow data obtained from an ESnet router. For this data set, 91 % of bytes generated by flows during high-rate intervals would have been directed had AFTES been deployed. The negative aspect of using address prefixes in firewall filters, i.e., the redirection of flows to -flow paths/queues, was also quantified.
C1 [Yan, Zhenzhen; Veeraraghavan, Malathi] Univ Virginia, Dept Elect & Comp Engn, Charlottesville, VA 22904 USA.
[Tracy, Chris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Energy Sci Network ESnet, Berkeley, CA 94720 USA.
[Jin, Tian; Liu, Zhengyang] Univ Virginia, Dept Comp Sci, Charlottesville, VA 22904 USA.
RP Veeraraghavan, M (reprint author), Univ Virginia, Dept Elect & Comp Engn, Charlottesville, VA 22904 USA.
EM zy4d@virginia.edu; ctracy@es.net; mv5g@virginia.edu; tj3sr@virginia.edu;
zl4ef@virginia.edu
FU NSF [OCI-1127340, CNS-1116081, ACI-1340910, CNS-1405171]; U.S. DOE
[DE-SC0002350, DE-SC0007341]; Office of Science, Office of Basic Energy
Sciences, of the U.S. DOE [DE-AC02-05CH11231]; Office of Science of the
U.S. DOE through the American Recovery and Reinvestment Act
[DE-AC02-05CH11231]
FX The UVA portion was supported by NSF grants OCI-1127340, CNS-1116081,
ACI-1340910, CNS-1405171 and U.S. DOE grants DE-SC0002350 and
DE-SC0007341. The ESnet portion was supported by the Director, Office of
Science, Office of Basic Energy Sciences, of the U.S. DOE under Contract
No. DE-AC02-05CH11231. This research used resources of the ESnet ANI
Testbed, which is supported by the Office of Science of the U.S. DOE
under contract DE-AC02-05CH11231, funded through the American Recovery
and Reinvestment Act of 2009.
NR 46
TC 0
Z9 0
U1 3
U2 5
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 1064-7570
EI 1573-7705
J9 J NETW SYST MANAG
JI J. Netw. Syst. Manag.
PD JAN
PY 2016
VL 24
IS 1
BP 1
EP 33
DI 10.1007/s10922-014-9336-2
PG 33
WC Computer Science, Information Systems; Telecommunications
SC Computer Science; Telecommunications
GA DA3FM
UT WOS:000367682400001
ER
PT J
AU Dziarzhytski, S
Gerasimova, N
Goderich, R
Mey, T
Reininger, R
Rubhausen, M
Siewert, F
Weigelt, H
Brenner, G
AF Dziarzhytski, Siarhei
Gerasimova, Natalia
Goderich, Rene
Mey, Tobias
Reininger, Ruben
Ruebhausen, Michael
Siewert, Frank
Weigelt, Holger
Brenner, Guenter
TI Microfocusing at the PG1 beamline at FLASH
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE free-electron laser; Kirkpatrick-Baez mirror system; microfocus;
plane-grating monochromator beamline
ID FREE-ELECTRON LASER; COHERENCE PROPERTIES; RAY; MONOCHROMATOR;
METROLOGY; MIRROR; BESSY
AB The Kirkpatrick-Baez (KB) refocusing mirror system installed at the PG1 branch of the plane-grating monochromator beamline at the soft X-ray/XUV free-electron laser in Hamburg (FLASH) is designed to provide tight aberration-free focusing down to 4 mu m x 6 mu m full width at half-maximum (FWHM) on the sample. Such a focal spot size is mandatory to achieve ultimate resolution and to guarantee best performance of the vacuum-ultraviolet (VUV) off-axis parabolic double-monochromator Raman spectrometer permanently installed at the PG1 beamline as an experimental end-station. The vertical beam size on the sample of the Raman spectrometer, which operates without entrance slit, defines and limits the energy resolution of the instrument which has an unprecedented design value of 2 meV for photon energies below 70 eV and about 15 meV for higher energies up to 200 eV. In order to reach the designed focal spot size of 4 mu m FWHM (vertically) and to hold the highest spectrometer resolution, special fully motorized in-vacuum manipulators for the KB mirror holders have been developed and the optics have been aligned employing wavefront-sensing techniques as well as ablative imprints analysis. Aberrations like astigmatism were minimized. In this article the design and layout of the KB mirror manipulators, the alignment procedure as well as microfocus optimization results are presented.
C1 [Dziarzhytski, Siarhei; Weigelt, Holger; Brenner, Guenter] DESY, D-22067 Hamburg, Germany.
[Gerasimova, Natalia] European XFEL GmbH, D-22761 Hamburg, Germany.
[Goderich, Rene] Univ S Florida, Tampa, FL 33620 USA.
[Mey, Tobias] Laser Lab Gottingen eV, D-37077 Gottingen, Germany.
[Reininger, Ruben] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Ruebhausen, Michael] Univ Hamburg, D-22607 Hamburg, Germany.
[Ruebhausen, Michael] Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany.
[Siewert, Frank] Helmholtz Zentrum Berlin BESSY II, Inst Nanometre Opt & Technol, D-12489 Berlin, Germany.
RP Dziarzhytski, S (reprint author), DESY, Notkestr 85, D-22067 Hamburg, Germany.
EM siarhei.dziarzhytski@desy.de
FU European Metrology Research Project, EMRP-JRP SIB58 Angles within the
EURAMET program of the European Union; US Department of Energy, Office
of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]
FX The authors are grateful to the DESY FS-BT workshop team lead by Jens
Brehling for assistance and help in KB mirrors holders production and
also to the MEA-2 survey group with Markus Schloesser for assistance in
fiducialization and prealignment of the KB mirrors. The work of F.
Siewert is partly funded by the European Metrology Research Project,
EMRP-JRP SIB58 Angles within the EURAMET program of the European Union.
The work of R. Reininger was supported by the US Department of Energy,
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. We also thank B. Keitel and E. Plonjes for assistance
with the wavefront sensor operation.
NR 24
TC 1
Z9 1
U1 2
U2 10
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2016
VL 23
BP 123
EP 131
DI 10.1107/S1600577515023127
PN 1
PG 9
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900017
PM 26698054
ER
PT J
AU Bencivenga, F
Zangrando, M
Svetina, C
Abrami, A
Battistoni, A
Borghes, R
Capotondi, F
Cucini, R
Dallari, F
Danailov, M
Demidovich, A
Fava, C
Gaio, G
Gerusina, S
Gessini, A
Giacuzzo, F
Gobessi, R
Godnig, R
Grisonich, R
Kiskinova, M
Kurdi, G
Loda, G
Lonza, M
Mahne, N
Manfredda, M
Mincigrucci, R
Pangon, G
Parisse, P
Passuello, R
Pedersoli, E
Pivetta, L
Prica, M
Principi, E
Rago, I
Raimondi, L
Sauro, R
Scarcia, M
Sigalotti, P
Zaccaria, M
Masciovecchio, C
AF Bencivenga, Filippo
Zangrando, Marco
Svetina, Cristian
Abrami, Alessandro
Battistoni, Andrea
Borghes, Roberto
Capotondi, Flavio
Cucini, Riccardo
Dallari, Francesco
Danailov, Miltcho
Demidovich, Alexander
Fava, Claudio
Gaio, Giulio
Gerusina, Simone
Gessini, Alessandro
Giacuzzo, Fabio
Gobessi, Riccardo
Godnig, Roberto
Grisonich, Riccardo
Kiskinova, Maya
Kurdi, Gabor
Loda, Giorgio
Lonza, Marco
Mahne, Nicola
Manfredda, Michele
Mincigrucci, Riccardo
Pangon, Gianpiero
Parisse, Pietro
Passuello, Roberto
Pedersoli, Emanuele
Pivetta, Lorenzo
Prica, Milan
Principi, Emiliano
Rago, Ilaria
Raimondi, Lorenzo
Sauro, Roberto
Scarcia, Martin
Sigalotti, Paolo
Zaccaria, Maurizio
Masciovecchio, Claudio
TI Experimental setups for FEL-based four-wave mixing experiments at FERMI
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE free-electron lasers; non-linear optics; four-wave-mixing; transient
grating
ID FREE-ELECTRON LASER; TRANSIENT GRATING SPECTROSCOPY; X-RAY-SCATTERING;
EXTREME-ULTRAVIOLET; DYNAMICS; COHERENT; SCIENCE; OPTICS; SYSTEM; PULSES
AB The recent advent of free-electron laser (FEL) sources is driving the scientific community to extend table-top laser research to shorter wavelengths adding elemental selectivity and chemical state specificity. Both a compact setup (mini-TIMER) and a separate instrument (EIS-TIMER) dedicated to four-wavemixing (FWM) experiments has been designed and constructed, to be operated as a branch of the Elastic and Inelastic Scattering beamline: EIS. The FWM experiments that are planned at EIS-TIMER are based on the transient grating approach, where two crossed FEL pulses create a controlled modulation of the sample excitations while a third time-delayed pulse is used to monitor the dynamics of the excited state. This manuscript describes such experimental facilities, showing the preliminary results of the commissioning of the EIS-TIMER beamline, and discusses original experimental strategies being developed to study the dynamics of matter at the fs-nm time-length scales. In the near future such experimental tools will allow more sophisticated FEL-based FWM applications, that also include the use of multiple and multi-color FEL pulses.
C1 [Bencivenga, Filippo; Zangrando, Marco; Svetina, Cristian; Abrami, Alessandro; Borghes, Roberto; Capotondi, Flavio; Cucini, Riccardo; Danailov, Miltcho; Demidovich, Alexander; Fava, Claudio; Gaio, Giulio; Gerusina, Simone; Gessini, Alessandro; Giacuzzo, Fabio; Gobessi, Riccardo; Godnig, Roberto; Grisonich, Riccardo; Kiskinova, Maya; Kurdi, Gabor; Loda, Giorgio; Lonza, Marco; Mahne, Nicola; Manfredda, Michele; Mincigrucci, Riccardo; Pangon, Gianpiero; Parisse, Pietro; Passuello, Roberto; Pedersoli, Emanuele; Pivetta, Lorenzo; Prica, Milan; Principi, Emiliano; Rago, Ilaria; Raimondi, Lorenzo; Sauro, Roberto; Scarcia, Martin; Sigalotti, Paolo; Zaccaria, Maurizio; Masciovecchio, Claudio] ELETTRA Sincrotrone Trieste SCpA, I-34149 Trieste, Italy.
[Zangrando, Marco] IOM CNR, Lab TASC, I-34149 Trieste, Italy.
[Svetina, Cristian] Univ Trieste, Grad Sch Nanotechnol, I-34127 Trieste, Italy.
[Battistoni, Andrea] Stanford Univ, SLAC, PULSE Inst Ultrafast Energy Sci, Stanford, CA 94305 USA.
[Dallari, Francesco] Univ Trento, Dept Phys, Trento, Italy.
[Mincigrucci, Riccardo] Univ Perugia, Dept Phys & Geol, I-06100 Perugia, Italy.
RP Bencivenga, F (reprint author), ELETTRA Sincrotrone Trieste SCpA, SS 14,Km 163-5 AREA Sci Pk, I-34149 Trieste, Italy.
EM filippo.bencivenga@elettra.eu
RI Zangrando, Marco/E-1326-2015;
OI Zangrando, Marco/0000-0001-8860-3962; PARISSE,
Pietro/0000-0002-7420-2778
FU European Research Council through the ERC [202804-TIMER]
FX M. Svandrlik and all the FERMI team are gratefully acknowledged for
their valuable support. The authors acknowledge support from the
European Research Council through the ERC Grant N.202804-TIMER.
NR 41
TC 2
Z9 2
U1 2
U2 10
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2016
VL 23
BP 132
EP 140
DI 10.1107/S1600577515021104
PN 1
PG 9
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900018
PM 26698055
ER
PT J
AU Antipov, S
Baryshev, SV
Butler, JE
Antipova, O
Liu, Z
Stoupin, S
AF Antipov, S.
Baryshev, S. V.
Butler, J. E.
Antipova, O.
Liu, Z.
Stoupin, S.
TI Single-crystal diamond refractive lens for focusing X-rays in two
dimensions
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE diamond two-dimensional lens; X-ray optics; compound refractive lens;
laser etching
ID FREE-ELECTRON LASER; MONOCHROMATOR; 3RD-GENERATION; REFLECTIVITY;
OPTICS; BEAMS
AB The fabrication and performance evaluation of single-crystal diamond refractive X-ray lenses of which the surfaces are paraboloids of revolution for focusing X-rays in two dimensions simultaneously are reported. The lenses were manufactured using a femtosecond laser micromachining process and tested using X-ray synchrotron radiation. Such lenses were stacked together to form a standard compound refractive lens (CRL). Owing to the superior physical properties of the material, diamond CRLs could become indispensable wavefront-preserving primary focusing optics for X-ray free-electron lasers and the next-generation synchrotron storage rings. They can be used for highly efficient refocusing of the extremely bright X-ray sources for secondary optical schemes with limited aperture such as nanofocusing Fresnel zone plates and multilayer Laue lenses.
C1 [Antipov, S.; Baryshev, S. V.; Butler, J. E.] Euclid Techlabs LLC, Solon, OH 44139 USA.
[Butler, J. E.] Russian Acad Sci, Inst Appl Phys, Nizhnii Novgorod, Russia.
[Antipova, O.] IIT, Dept Biol & Chem Sci, Chicago, IL 60616 USA.
[Liu, Z.; Stoupin, S.] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA.
EM s.antipov@euclidtechlabs.com
RI Butler, James/B-7965-2008
OI Butler, James/0000-0002-4794-7176
FU DOE SBIR program [DE-SC0013129]; US Department of Energy, Office of
Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Act 220 of
the Russian Government [14.B25.31.0021]; National Institute of General
Medical Sciences of the National Institutes of Health [9 P41 GM103622]
FX We are indebted to K.-J. Kim, Yu. V. Shvyd'ko, C. Jacobsen and A. Sandy
for helpful discussions on the topic of X-ray refractive optics. R.
Woods and K. Lang are acknowledged for technical support. Euclid
Techlabs LLC acknowledges support from DOE SBIR program grant No.
DE-SC0013129. Use of the Center for Nanoscale Materials, an Office of
Science user facility, was supported by the US Department of Energy,
Office of Science, Office of Basic Energy Sciences, under Contract No.
DE-AC02-06CH11357. Use of the Advanced Photon Source was supported by
the US Department of Energy, Office of Science, Office of Basic Energy
Sciences, under Contract No. DE-AC02-06CH11357. JEB acknowledges the
support of the Act 220 of the Russian Government (Agreement No.
14.B25.31.0021 with the host organization IAP RAS). BioCAT acknowledges
support by grant 9 P41 GM103622 from the National Institute of General
Medical Sciences of the National Institutes of Health.
NR 23
TC 4
Z9 4
U1 2
U2 20
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2016
VL 23
BP 163
EP 168
DI 10.1107/S1600577515020639
PN 1
PG 6
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900022
PM 26698059
ER
PT J
AU Zhou, L
Idir, M
Bouet, N
Kaznatcheev, K
Huang, L
Vescovi, M
Dai, YF
Li, SY
AF Zhou, Lin
Idir, Mourad
Bouet, Nathalie
Kaznatcheev, Konstantine
Huang, Lei
Vescovi, Matthew
Dai, Yifan
Li, Shengyi
TI One-dimensional ion-beam figuring for grazing-incidence reflective
optics
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE ion beam figuring; synchrotron optics; one-dimensional
ID REMOVAL FUNCTIONS
AB One-dimensional ion-beam figuring (1D-IBF) can improve grazing-incidence reflective optics, such as Kirkpatrick-Baez mirrors. 1D-IBF requires only one motion degree of freedom, which reduces equipment complexity, resulting in compact and low-cost IBF instrumentation. Furthermore, 1D-IBF is easy to integrate into a single vacuum system with other fabrication processes, such as a thin-film deposition. The NSLS-II Optical Metrology and Fabrication Group has recently integrated the 1D-IBF function into an existing thin-film deposition system by adding an RF ion source to the system. Using a rectangular grid, a 1D removal function needed to perform 1D-IBF has been produced. In this paper, demonstration experiments of the 1D-IBF process are presented on one spherical and two plane samples. The final residual errors on both plane samples are less than 1 nm r.m.s. The surface error on the spherical sample has been successfully reduced by a factor of 12. The results show that the 1D-IBF method is an effective method to process high-precision 1D synchrotron optics.
C1 [Zhou, Lin; Dai, Yifan; Li, Shengyi] Natl Univ Def Technol, Coll Mechatron Engn & Automat, Changsha 410073, Hunan, Peoples R China.
[Zhou, Lin; Idir, Mourad; Bouet, Nathalie; Kaznatcheev, Konstantine; Huang, Lei; Vescovi, Matthew] Brookhaven Natl Lab, NSLS 2, Upton, NY 11973 USA.
[Zhou, Lin; Dai, Yifan; Li, Shengyi] Hunan Key Lab Ultraprecis Machining Technol, Changsha 410073, Hunan, Peoples R China.
RP Idir, M (reprint author), Brookhaven Natl Lab, NSLS 2, POB 5000, Upton, NY 11973 USA.
EM midir@bnl.gov
OI Bouet, Nathalie/0000-0002-5816-9429
FU US Department of Energy, Office of Science, Office of Basic Energy
sciences [DE-AC-02-98CH10886]; Program for New Century Excellent Talents
in University [NCET-13-0165]; National Natural Science Foundation of
China [91323302]
FX This work was supported by the US Department of Energy, Office of
Science, Office of Basic Energy sciences, under contract No.
DE-AC-02-98CH10886. LZ was supported by the Program for New Century
Excellent Talents in University (No. NCET-13-0165) and the National
Natural Science Foundation of China (No. 91323302). The authors
acknowledge Ray Conley for his support during the beginning of this
project. The authors greatly appreciate the valuable suggestions and
specific comments of the different referees to improve this article.
NR 14
TC 1
Z9 1
U1 1
U2 13
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2016
VL 23
BP 182
EP 186
DI 10.1107/S1600577515021621
PN 1
PG 5
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900025
PM 26698062
ER
PT J
AU Ross, S
Haji-Sheikh, M
Huntington, A
Kline, D
Lee, A
Li, YL
Rhee, J
Tarpley, M
Walko, DA
Westberg, G
Williams, G
Zou, HF
Landahl, E
AF Ross, Steve
Haji-Sheikh, Michael
Huntington, Andrew
Kline, David
Lee, Adam
Li, Yuelin
Rhee, Jehyuk
Tarpley, Mary
Walko, Donald A.
Westberg, Gregg
Williams, George
Zou, Haifeng
Landahl, Eric
TI X-ray characterization of a multichannel smart-pixel array detector
SO JOURNAL OF SYNCHROTRON RADIATION
LA English
DT Article; Proceedings Paper
CT 2nd Workshop on FEL Photon Diagnostics, Instrumentation and Beamlines
Design (PhotonDiag)
CY JUN 08-10, 2015
CL Int Ctr Theoretical Phys, Trieste, ITALY
SP Elettra Sincrotrone Trieste, FELs EUROPE
HO Int Ctr Theoretical Phys
DE X-ray detector; pixel array detector; CMOS ASIC
ID TIME; PILATUS; DIFFRACTION; DYNAMICS; CHIP
AB The Voxtel VX-798 is a prototype X-ray pixel array detector (PAD) featuring a silicon sensor photodiode array of 48 x 48 pixels, each 130 mu m x 130 mu m x 520 mu m thick, coupled to a CMOS readout application specific integrated circuit (ASIC). The first synchrotron X-ray characterization of this detector is presented, and its ability to selectively count individual X-rays within two independent arrival time windows, a programmable energy range, and localized to a single pixel is demonstrated. During our first trial run at Argonne National Laboratory's Advance Photon Source, the detector achieved a 60 ns gating time and 700 eV full width at half-maximum energy resolution in agreement with design parameters. Each pixel of the PAD holds two independent digital counters, and the discriminator for X-ray energy features both an upper and lower threshold to window the energy of interest discarding unwanted background. This smart-pixel technology allows energy and time resolution to be set and optimized in software. It is found that the detector linearity follows an isolated dead-time model, implying that megahertz count rates should be possible in each pixel. Measurement of the line and point spread functions showed negligible spatial blurring. When combined with the timing structure of the synchrotron storage ring, it is demonstrated that the area detector can perform both picosecond time-resolved X-ray diffraction and fluorescence spectroscopy measurements.
C1 [Ross, Steve; Haji-Sheikh, Michael; Westberg, Gregg] No Illinois Univ, Dept Elect Engn, De Kalb, IL 60115 USA.
[Huntington, Andrew; Lee, Adam; Rhee, Jehyuk; Williams, George; Zou, Haifeng] Voxtel Inc, Beaverton, OR 97006 USA.
[Kline, David; Li, Yuelin; Walko, Donald A.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA.
[Tarpley, Mary; Landahl, Eric] De Paul Univ, Dept Phys, Chicago, IL 60614 USA.
RP Landahl, E (reprint author), De Paul Univ, Dept Phys, Chicago, IL 60614 USA.
EM elandahl@depaul.edu
FU US Department of Energy (DOE) Small Business Innovative Research program
[DE-SC0004235]; US DOE [DE-AC02-06CH11357]; College of Engineering and
Engineering Technology, Northern Illinois University
FX Detector development by Voxtel Inc. was supported by the US Department
of Energy (DOE) Small Business Innovative Research program contract
DE-SC0004235. Use of beamlines 7-ID-C and 8-ID-I of the Advanced Photon
Source, an Office of Science User Facility operated for the US DOE
Office of Science by Argonne National Laboratory, was supported by the
US DOE under Contract No. DE-AC02-06CH11357. The MRDL facility is
supported by the College of Engineering and Engineering Technology,
Northern Illinois University.
NR 26
TC 2
Z9 2
U1 3
U2 3
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 1600-5775
J9 J SYNCHROTRON RADIAT
JI J. Synchrot. Radiat.
PD JAN
PY 2016
VL 23
BP 196
EP 205
DI 10.1107/S1600577515018044
PN 1
PG 10
WC Instruments & Instrumentation; Optics; Physics, Applied
SC Instruments & Instrumentation; Optics; Physics
GA DA1IG
UT WOS:000367548900027
PM 26698064
ER
PT J
AU Skevas, T
Hayden, NJ
Swinton, SM
Lupi, F
AF Skevas, Theodoros
Hayden, Noel J.
Swinton, Scott M.
Lupi, Frank
TI Landowner willingness to supply marginal land for bioenergy production
SO LAND USE POLICY
LA English
DT Article
DE Bioenergy; Land use; Marginal land; Michigan; Survey
ID CROPS; MODEL; SWITCHGRASS; ATTITUDES; BIOFUELS; PRICES
AB This study elicits willingness to supply marginal land for biomass cultivation in Southern Lower Michigan. Most of the surveyed landowners are not interested in renting land for bioenergy crop production. Those who are interested offer relatively little land for bioenergy crops, even at rental rates three times current levels. Willing landowners would prefer to grow a significant portion of these crops on cropland rather than non-crop, marginal land. Hence, the area of marginal land that owners are willing to supply for bioenergy crop production falls far short of area estimates based on remote sensing that ignore landowner preferences. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Skevas, Theodoros; Hayden, Noel J.; Swinton, Scott M.; Lupi, Frank] Michigan State Univ, Dept Agr Food & Resource Econ, E Lansing, MI 48824 USA.
[Skevas, Theodoros; Hayden, Noel J.; Swinton, Scott M.] Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA.
RP Skevas, T (reprint author), Univ Florida, Gulf Coast Res & Educ Ctr, 14625 Co Rd 672, Wimauma, FL 32611 USA.
EM skevast@ufl.edu
FU DOE Great Lakes Bioenergy Research Center (DOE BER Office of Science)
[DE-FC02-07ER64494]
FX This work was funded by the DOE Great Lakes Bioenergy Research Center
(DOE BER Office of Science DE-FC02-07ER64494).
NR 30
TC 6
Z9 6
U1 5
U2 12
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 0264-8377
EI 1873-5754
J9 LAND USE POLICY
JI Land Use Pol.
PD JAN
PY 2016
VL 50
BP 507
EP 517
DI 10.1016/j.landusepol.2015.09.027
PG 11
WC Environmental Studies
SC Environmental Sciences & Ecology
GA DA4FO
UT WOS:000367755700046
ER
PT J
AU Jiang, YY
Rocha, AV
Rastetter, EB
Shaver, GR
Mishra, U
Zhuang, QL
Kwiatkowski, BL
AF Jiang, Yueyang
Rocha, Adrian V.
Rastetter, Edward B.
Shaver, Gaius R.
Mishra, Umakant
Zhuang, Qianlai
Kwiatkowski, Bonnie L.
TI C-N-P interactions control climate driven changes in regional patterns
of C storage on the North Slope of Alaska
SO LANDSCAPE ECOLOGY
LA English
DT Article
DE Climate warming; Nutrient budget; C balance; Nutrient limitation;
C-nutrient interaction
ID ARCTIC TUNDRA ECOSYSTEMS; SOIL ORGANIC-MATTER; LONG-TERM NUTRIENT;
CARBON STORAGE; ENVIRONMENTAL-FACTORS; SPECIES COMPOSITION; NITROGEN
DYNAMICS; GLOBAL CHANGE; PLANT-GROWTH; CO2 FLUX
AB As climate warms, changes in the carbon (C) balance of arctic tundra will play an important role in the global C balance. The C balance of tundra is tightly coupled to the nitrogen (N) and phosphorus (P) cycles because soil organic matter is the principal source of plant-available nutrients and determines the spatial variation of vegetation biomass across the North Slope of Alaska. Warming will accelerate these nutrient cycles, which should stimulate plant growth.
We applied the multiple element limitation model to investigate the spatial distribution of soil organic matter and vegetation on the North Slope of Alaska and examine the effects of changes in N and P cycles on tundra C budgets under climate warming.
The spatial variation of vegetation biomass on the North Slope is mainly determined by nutrient mineralization, rather than air temperature. Our simulations show substantial increases in N and P mineralization with climate warming and consequent increases in nutrient availability to plants. There are distinctly different changes in N versus P cycles in response to warming. N is lost from the region because the warming-induced increase in N mineralization is in excess of plant uptake. However, P is more tightly cycled than N and the small loss of P under warming can be compensated by entrainment of recently weathered P into the ecosystem cycle. The increase in nutrient availability results in larger C gains in vegetation than C losses from soils and hence a net accumulation of C in the ecosystems.
The ongoing climate warming in Arctic enhances mineralization and leads to a net transfer of nutrient from soil organic matter to vegetation, thereby stimulating tundra plant growth and increased C sequestration in the tundra ecosystems. The C balance of the region is predominantly controlled by the internal nutrient cycles, and the external nutrient supply only exerts a minor effect on C budget.
C1 [Jiang, Yueyang] Oregon State Univ, Dept Forest Ecosyst & Soc, Corvallis, OR 97331 USA.
[Jiang, Yueyang; Rastetter, Edward B.; Shaver, Gaius R.; Kwiatkowski, Bonnie L.] Ctr Ecosyst, Marine Biol Lab, Woods Hole, MA 02543 USA.
[Rocha, Adrian V.] Univ Notre Dame, Dept Biol, Notre Dame, IN 46556 USA.
[Mishra, Umakant] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA.
[Zhuang, Qianlai] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA.
RP Jiang, YY (reprint author), Oregon State Univ, Dept Forest Ecosyst & Soc, Corvallis, OR 97331 USA.
EM yueyang.jiang@oregonstate.edu
OI Rastetter, Edward/0000-0002-8620-5431; Kwiatkowski,
Bonnie/0000-0003-0158-9753
FU NSF [DEB-1026843, EF-1065587, OPP-1107707]
FX We gratefully acknowledge support from NSF Grants # DEB-1026843,
EF-1065587, and OPP-1107707 to the Marine Biological Laboratory, Woods
Hole, MA. We acknowledge the use of Alaska Arctic Bioclimate Subzones
map, Alaska Arctic Biomass map, and Alaska Arctic Vegetation map derived
from the Toolik-Arctic Geobotanical Atlas (http://www.arcticatlas.org/).
NR 70
TC 1
Z9 1
U1 9
U2 34
PU SPRINGER
PI DORDRECHT
PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
SN 0921-2973
EI 1572-9761
J9 LANDSCAPE ECOL
JI Landsc. Ecol.
PD JAN
PY 2016
VL 31
IS 1
BP 195
EP 213
DI 10.1007/s10980-015-0266-5
PG 19
WC Ecology; Geography, Physical; Geosciences, Multidisciplinary
SC Environmental Sciences & Ecology; Physical Geography; Geology
GA DA2AR
UT WOS:000367598200015
ER
PT J
AU Yuan, JY
Cheriyadat, AM
AF Yuan, Jiangye
Cheriyadat, Anil M.
TI Image feature based GPS trace filtering for road network generation and
road segmentation
SO MACHINE VISION AND APPLICATIONS
LA English
DT Article
DE GPS; Aerial image; Road map; Segmentation
ID EXTRACTION
AB We propose a new method to infer road networks from GPS trace data and accurately segment road regions in high-resolution aerial images. Unlike previous efforts that rely on GPS traces alone, we exploit image features to infer road networks from noisy trace data. The inferred road network is used to guide road segmentation. We show that the number of image segments spanned by the traces and the trace orientation validated with image features are important attributes for identifying GPS traces on road regions. Based on filtered traces , we construct road networks and integrate them with image features to segment road regions. Our experiments show that the proposed method produces more accurate road networks than the leading method that uses GPS traces alone, and also achieves high accuracy in segmenting road regions even with very noisy GPS data.
C1 [Yuan, Jiangye; Cheriyadat, Anil M.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37830 USA.
RP Yuan, JY (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37830 USA.
EM yuanj@ornl.gov
FU U.S. Department of Energy [DE-AC05-00OR22725]
FX This manuscript has been authored by employees of UT-Battelle, LLC,
under contract DE-AC05-00OR22725 with the U.S. Department of Energy.
Accordingly, 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 27
TC 0
Z9 0
U1 4
U2 11
PU SPRINGER
PI NEW YORK
PA 233 SPRING ST, NEW YORK, NY 10013 USA
SN 0932-8092
EI 1432-1769
J9 MACH VISION APPL
JI Mach. Vis. Appl.
PD JAN
PY 2016
VL 27
IS 1
BP 1
EP 12
DI 10.1007/s00138-015-0722-x
PG 12
WC Computer Science, Artificial Intelligence; Computer Science,
Cybernetics; Engineering, Electrical & Electronic
SC Computer Science; Engineering
GA DA4XB
UT WOS:000367804800001
ER
PT J
AU Bozovic, I
AF Bozovic, Ivan
TI HIGH-TEMPERATURE SUPERCONDUCTIVITY A conventional conundrum
SO NATURE PHYSICS
LA English
DT News Item
ID LAYER FESE FILMS; SRTIO3
AB High-temperature superconductivity in ultrathin films of iron selenide deposited on strontium titanate has been attributed to various exotic mechanisms. New experiments indicate that it may be conventional, with broader implications.
C1 [Bozovic, Ivan] Brookhaven Natl Lab, Upton, NY 11973 USA.
[Bozovic, Ivan] Yale Univ, Dept Appl Phys, New Haven, CT 06520 USA.
RP Bozovic, I (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA.
EM bozovic@bnl.gov
NR 10
TC 4
Z9 4
U1 10
U2 51
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD JAN
PY 2016
VL 12
IS 1
BP 22
EP 24
DI 10.1038/nphys3626
PG 5
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400010
ER
PT J
AU Spethmann, N
Kohler, J
Schreppler, S
Buchmann, L
Stamper-Kurn, DM
AF Spethmann, Nicolas
Kohler, Jonathan
Schreppler, Sydney
Buchmann, Lukas
Stamper-Kurn, Dan M.
TI Cavity-mediated coupling of mechanical oscillators limited by quantum
back-action
SO NATURE PHYSICS
LA English
DT Article
ID MICROWAVE FIELDS; OPTOMECHANICS; ATOMS; ENTANGLEMENT; TRANSITION; LIGHT
AB A complex quantum system can be constructed by coupling simple elements. For example, trapped-ion(1,2) or superconducting(3) quantum bits may be coupled by Coulomb interactions, mediated by the exchange of virtual photons. Alternatively, quantum objects can be made to emit and exchange real photons, providing either unidirectional coupling in cascaded geometries(4-6), or bidirectional coupling that is particularly strong when both objects are placed within a common electromagnetic resonator(7). However, in such an open system, the capacity of a coupling channel to convey quantum information or generate entanglement may be compromised by photon loss(8). Here, we realize phase-coherent interactions between two addressable, spatially separated, near-groundstate mechanical oscillators within a driven optical cavity. We observe the quantum back-action noise imparted by the optical coupling resulting in correlated mechanical fluctuations of the two oscillators. Our results illustrate challenges and opportunities of coupling quantum objects with light for applications of quantum cavity optomechanics(8-14).
C1 [Spethmann, Nicolas; Kohler, Jonathan; Schreppler, Sydney; Buchmann, Lukas; Stamper-Kurn, Dan M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Spethmann, Nicolas] Tech Univ Kaiserslautern, Fachbereich Phys, D-67663 Kaiserslautern, Germany.
[Stamper-Kurn, Dan M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
RP Spethmann, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM spethmann@berkeley.edu
OI Buchmann, Lukas/0000-0002-2527-6789; Kohler,
Jonathan/0000-0003-3881-1514
FU Air Force Office of Scientific Research; NSF; Marie Curie International
Outgoing Fellowship; US Department of Defense through National Defense
Science and Engineering Graduate Fellowship Program; Swiss National
Science Foundation
FX This work was supported by the Air Force Office of Scientific Research
and NSF. N.S. was supported by a Marie Curie International Outgoing
Fellowship, J.K. and S.S. by the US Department of Defense through the
National Defense Science and Engineering Graduate Fellowship Program,
and L.B. by the Swiss National Science Foundation.
NR 39
TC 6
Z9 6
U1 4
U2 9
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD JAN
PY 2016
VL 12
IS 1
BP 27
EP U53
DI 10.1038/NPHYS3515
PG 8
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400014
ER
PT J
AU Kim, YK
Sung, NH
Denlinger, JD
Kim, BJ
AF Kim, Y. K.
Sung, N. H.
Denlinger, J. D.
Kim, B. J.
TI Observation of a d-wave gap in electron-doped Sr2IrO4
SO NATURE PHYSICS
LA English
DT Article
ID HIGH-TEMPERATURE SUPERCONDUCTORS; PARTICLE; PHASE; STATE
AB High-temperature superconductivity in cuprates emerges out of a highly enigmatic 'pseudogap' metal phase. The mechanism of high-temperature superconductivity is probably encrypted in the elusive relationship between the two phases, which spectroscopically is manifested as Fermi arcs-disconnected segments of zero-energy states-collapsing into d-wave point nodes upon entering the superconducting phase. Here, we reproduce this distinct cuprate phenomenology in the 5d transition-metal oxide Sr2IrO4. Using angle-resolved photo-emission, we show that the clean, low-temperature phase of 6-8% electron-doped Sr2IrO4 has gapless excitations only at four isolated points in the Brillouin zone, with a predominant d-wave symmetry of the gap. Our work thus establishes a connection between the low-temperature d-wave instability and the previously reported high-temperature Fermi arcs in electron-doped Sr2IrO4 (ref. 1). Although the physical origin of the d-wave gap remains to be understood, Sr2IrO4 is the first non-cuprate material to spectroscopically reproduce the complete phenomenology of the cuprates, thus offering a new material platform to investigate the relationship between the pseudogap and the d-wave gap.
C1 [Kim, Y. K.; Denlinger, J. D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Kim, Y. K.] Inst for Basic Sci Korea, Ctr Correlated Electron Syst, Seoul 151742, South Korea.
[Sung, N. H.; Kim, B. J.] Seoul Natl Univ, Dept Phys & Astron, Seoul 151747, South Korea.
[Sung, N. H.; Kim, B. J.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany.
RP Kim, YK (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
EM bjkim@fkf.mpg.de
RI Kim, Yeong Kwan/L-8207-2016
FU Office of Science, Office of Basic Energy Sciences, of US Department of
Energy [DE-AC02-05CH11231]; [IBS-R009-D1]
FX We acknowledge helpful discussions with C. Kim, G. Khaliullin, B.
Keimer, M. Le Tacon, G. Jackeli, J. F. Mitchell, M. Norman and J. W.
Allen. We thank B. Y. Kim for technical assistance. The Advanced Light
Source is supported by the Director, Office of Science, Office of Basic
Energy Sciences, of the US Department of Energy under Contract No.
DE-AC02-05CH11231. This work was supported by IBS-R009-D1.
NR 38
TC 38
Z9 38
U1 19
U2 54
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD JAN
PY 2016
VL 12
IS 1
BP 37
EP U65
DI 10.1038/NPHYS3503
PG 6
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400016
ER
PT J
AU Kemper, JB
Vafek, O
Betts, JB
Balakirev, FF
Hardy, WN
Liang, RX
Bonn, DA
Boebinger, GS
AF Kemper, J. B.
Vafek, O.
Betts, J. B.
Balakirev, F. F.
Hardy, W. N.
Liang, Ruixing
Bonn, D. A.
Boebinger, G. S.
TI Thermodynamic signature of a magnetic-field-driven phase transition
within the superconducting state of an underdoped cuprate
SO NATURE PHYSICS
LA English
DT Article
ID HIGH-TEMPERATURE SUPERCONDUCTOR; D-WAVE SUPERCONDUCTORS;
DENSITY-OF-STATES; YBA2CU3O6+X; HEAT; DOME
AB More than a quarter century after the discovery of the high-temperature superconductor (HTS) YBa2Cu3O6+delta (YBCO; ref. 1), studies continue to uncover complexity in its phase diagram. In addition to HTS and the pseudogap(2,3), there is growing evidence for multiple phases with boundaries which are functions of temperature (T), doping (p) and magnetic field(4-8). Here we report the low-temperature electronic specific heat (C-elec) of YBa2Cu3O6.43 and YBa2Cu3O6.47 (p = 0.076 and 0.084) up to a magnetic field (H) of 34.5 T, a poorly understood region of the underdoped H-T-p phase space. We observe two regimes in the low-temperature limit: below a characteristic magnetic field H' approximate to 12-15 T, C-elec/T obeys an expected H-1/2 behaviour(9,10); however, near H' there is a sharp inflection followed by a linear-in-H behaviour. H' rests deep within the superconducting phase and, thus, the linear-in-H behaviour is observed in the zero-resistance regime(11). In the limit of zero temperature, C-elec/T is proportional to the zero-energy electronic density of states. At one of our dopings, the inflection is sharp only at lowest temperatures, and we thus conclude that this inflection is evidence of a magnetic-field-driven quantum phase transition.
C1 [Kemper, J. B.; Vafek, O.; Boebinger, G. S.] Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA.
[Kemper, J. B.; Vafek, O.; Boebinger, G. S.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA.
[Betts, J. B.; Balakirev, F. F.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA.
[Hardy, W. N.; Liang, Ruixing; Bonn, D. A.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T 1Z4, Canada.
[Hardy, W. N.; Liang, Ruixing; Bonn, D. A.] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada.
RP Kemper, JB (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA.
EM jonathon.kemper@gmail.com
FU National Science Foundation [DMR-1157490]; State of Florida; US
Department of Energy; Natural Science and Engineering Research Council
of Canada; Canadian Institute for Advanced Research
FX The authors thank S. Kivelson, R. Baumbach, A. Kapitulnik, M. Norman, B.
Ramshaw, A. Shekhter, J. Sonier and S. Riggs for discussions and
commentary on the manuscript, as well as A. Migliori for discussions on
the experimental techniques. J.B.K. thanks C. Moir for assistance during
experiments. A portion of this work was performed at the National High
Magnetic Field Laboratory, which is supported by National Science
Foundation Cooperative Agreement No. DMR-1157490, the State of Florida,
and the US Department of Energy. Work at the University of British
Columbia was supported by the Natural Science and Engineering Research
Council of Canada and the Canadian Institute for Advanced Research.
NR 30
TC 4
Z9 4
U1 8
U2 20
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD JAN
PY 2016
VL 12
IS 1
BP 47
EP 51
DI 10.1038/NPHYS3502
PG 5
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400018
ER
PT J
AU Jau, YY
Hankin, AM
Keating, T
Deutsch, IH
Biedermann, GW
AF Jau, Y. -Y.
Hankin, A. M.
Keating, T.
Deutsch, I. H.
Biedermann, G. W.
TI Entangling atomic spins with a Rydberg-dressed spin-flip blockade
SO NATURE PHYSICS
LA English
DT Article
ID QUANTUM; ENTANGLEMENT; CIRCUITS; GATES
AB Controlling the quantum entanglement between parts of a many-body system is key to unlocking the power of quantum technologies such as quantum computation, high-precision sensing, and the simulation of many-body physics. The spin degrees of freedom of ultracold neutral atoms in their ground electronic state provide a natural platform for such applications thanks to their long coherence times and the ability to control them with magneto-optical fields. However, the creation of strong coherent coupling between spins has been challenging. Here we demonstrate a strong and tunable Rydberg-dressed interaction between spins of individually trapped caesium atoms with energy shifts of order 1 MHz in units of Planck's constant. This interaction leads to a ground-state spin-flip blockade, whereby simultaneous hyperfine spin flips of two atoms are inhibited owing to their mutual interaction. We employ this spin-flip blockade to rapidly produce single-step Bell-state entanglement between two atoms with a fidelity >= 81(2)%.
C1 [Jau, Y. -Y.; Hankin, A. M.; Keating, T.; Deutsch, I. H.; Biedermann, G. W.] Sandia Natl Labs, Albuquerque, NM 87123 USA.
[Jau, Y. -Y.; Hankin, A. M.; Keating, T.; Deutsch, I. H.; Biedermann, G. W.] Univ New Mexico, Ctr Quantum Informat & Control CQuIC, Albuquerque, NM 87131 USA.
RP Jau, YY (reprint author), Sandia Natl Labs, Albuquerque, NM 87123 USA.
EM gbieder@sandia.gov
RI Deutsch, Ivan/D-1882-2009
OI Deutsch, Ivan/0000-0002-1733-5750
FU Laboratory Directed Research and Development programme at Sandia
National Laboratories; National Science Foundation's Center for Quantum
Information and Control [NSF-1212445]
FX We would like to thank L. P. Parazzoli and C. W. Chou for their early
work on the experimental system. We also thank J. Lee for comments on
the manuscript. This work was supported by the Laboratory Directed
Research and Development programme at Sandia National Laboratories and
through the National Science Foundation's Center for Quantum Information
and Control NSF-1212445.
NR 34
TC 28
Z9 28
U1 9
U2 18
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD JAN
PY 2016
VL 12
IS 1
BP 71
EP 74
DI 10.1038/NPHYS3487
PG 4
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400022
ER
PT J
AU Ugeda, MM
Bradley, AJ
Zhang, Y
Onishi, S
Chen, Y
Ruan, W
Ojeda-Aristizabal, C
Ryu, H
Edmonds, MT
Tsai, HZ
Riss, A
Mo, SK
Lee, DH
Zettl, A
Hussain, Z
Shen, ZX
Crommie, MF
AF Ugeda, Miguel M.
Bradley, Aaron J.
Zhang, Yi
Onishi, Seita
Chen, Yi
Ruan, Wei
Ojeda-Aristizabal, Claudia
Ryu, Hyejin
Edmonds, Mark T.
Tsai, Hsin-Zon
Riss, Alexander
Mo, Sung-Kwan
Lee, Dunghai
Zettl, Alex
Hussain, Zahid
Shen, Zhi-Xun
Crommie, Michael F.
TI Characterization of collective ground states in single-layer NbSe2
SO NATURE PHYSICS
LA English
DT Article
ID SCANNING-TUNNELING-MICROSCOPY; CHARGE-DENSITY WAVES; SUPERCONDUCTIVITY;
TRANSITION; MECHANISM; CRYSTALS; 2H-NBSE2; ORDER
AB Layered transition metal dichalcogenides are ideal systems for exploring the effects of dimensionality on correlated electronic phases such as charge density wave (CDW) order and superconductivity. In bulk NbSe2 a CDW sets in at T-CDW = 33 K and superconductivity sets in at T-c = 7.2 K. Below T-c these electronic states coexist but their microscopic formation mechanisms remain controversial. Here we present an electronic characterization study of a single two-dimensional (2D) layer of NbSe2 by means of low-temperature scanning tunnelling microscopy/spectroscopy (STM/STS), angle-resolved photoemission spectroscopy (ARPES), and electrical transport measurements. We demonstrate that 3 x 3 CDW order in NbSe2 remains intact in two dimensions. Superconductivity also still remains in the 2D limit, but its onset temperature is depressed to 1.9 K. Our STS measurements at 5 K reveal a CDW gap of Delta = 4 meV at the Fermi energy, which is accessible by means of STS owing to the removal of bands crossing the Fermi level for a single layer. Our observations are consistent with the simplified (compared to bulk) electronic structure of single-layer NbSe2, thus providing insight into CDW formation and superconductivity in this model strongly correlated system.
C1 [Ugeda, Miguel M.; Bradley, Aaron J.; Onishi, Seita; Chen, Yi; Ruan, Wei; Ojeda-Aristizabal, Claudia; Edmonds, Mark T.; Tsai, Hsin-Zon; Riss, Alexander; Lee, Dunghai; Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
[Ugeda, Miguel M.] CIC nanoGUNE, Donostia San Sebastian 20018, Spain.
[Ugeda, Miguel M.] Basque Fdn Sci, Ikerbasque, Bilbao 48011, Spain.
[Zhang, Yi; Ryu, Hyejin; Mo, Sung-Kwan; Hussain, Zahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.
[Zhang, Yi; Shen, Zhi-Xun] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA.
[Zhang, Yi] Nanjing Univ, Sch Phys, Collaborat Innovat Ctr Adv Microstruct, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.
[Ruan, Wei] Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China.
[Ojeda-Aristizabal, Claudia; Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.
[Ojeda-Aristizabal, Claudia] Calif State Univ Long Beach, Dept Phys & Astron, Long Beach, CA 90840 USA.
[Edmonds, Mark T.] Monash Univ, Sch Phys & Astron, Clayton, Vic, Australia.
[Riss, Alexander] Vienna Univ Technol, Inst Appl Phys, A-1040 Vienna, Austria.
[Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA.
[Zettl, Alex; Crommie, Michael F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Dept Phys, Stanford, CA 94305 USA.
[Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Dept Appl Phys, Stanford, CA 94305 USA.
RP Ugeda, MM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
EM mmugeda@berkeley.edu; crommie@berkeley.edu
RI Mo, Sung-Kwan/F-3489-2013; Zhang, Yi/J-9025-2013; Tsai,
Hsin-Zon/J-1682-2016; Moreno Ugeda, Miguel/N-3006-2016; Zettl,
Alex/O-4925-2016; nanoGUNE, CIC/A-2623-2015;
OI Mo, Sung-Kwan/0000-0003-0711-8514; Zhang, Yi/0000-0003-1204-8717; Tsai,
Hsin-Zon/0000-0003-2097-0170; Zettl, Alex/0000-0001-6330-136X; Riss,
Alexander/0000-0002-3212-7925
FU Office of Energy Research, Materials Sciences and Engineering Division,
of the US Department of Energy (DOE) [DE-AC02-05CH11231]; National
Science Foundation [DMR-1206512]; DOE BES [DE-AC02-05CH11231]; Max
Planck Korea/POSTECH Research Initiative of NRF, Korea.; ARC Laureate
Fellowship [FL120100038]; Austrian Science Fund (FWF) [J3026-N16]
FX Research supported in part by the Director, Office of Energy Research,
Materials Sciences and Engineering Division, of the US Department of
Energy (DOE), under grant DE-AC02-05CH11231 supporting the sp2-bonded
Materials Program (STM imaging and transport), and by the National
Science Foundation under award # DMR-1206512 (STS spectroscopic
analysis). Work at the ALS is supported by DOE BES under Contract No.
DE-AC02-05CH11231. H.R. acknowledges support from Max Planck
Korea/POSTECH Research Initiative of NRF, Korea. M.T.E. is supported by
the ARC Laureate Fellowship project (FL120100038). A.R. acknowledges
fellowship support by the Austrian Science Fund (FWF): J3026-N16.
NR 35
TC 27
Z9 27
U1 45
U2 136
PU NATURE PUBLISHING GROUP
PI LONDON
PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND
SN 1745-2473
EI 1745-2481
J9 NAT PHYS
JI Nat. Phys.
PD JAN
PY 2016
VL 12
IS 1
BP 92
EP U126
DI 10.1038/NPHYS3527
PG 7
WC Physics, Multidisciplinary
SC Physics
GA DA5IA
UT WOS:000367835400026
ER
PT J
AU Noble, PJ
Ball, GI
Zimmerman, SH
Maloney, J
Smith, SB
Kent, G
Adams, KD
Karlin, RE
Driscoll, N
AF Noble, Paula J.
Ball, G. Ian
Zimmerman, Susan H.
Maloney, Jillian
Smith, Shane B.
Kent, Graham
Adams, Kenneth D.
Karlin, Robert E.
Driscoll, Neal
TI Holocene paleoclimate history of Fallen Leaf Lake, CA., from
geochemistry and sedimentology of well-dated sediment cores
SO QUATERNARY SCIENCE REVIEWS
LA English
DT Article
DE Holocene; Lake cores; Geochemistry; Paleoclimate; Lake Tahoe basin;
Great Basin; Neopluvial
ID DOLLAR POINT FAULT; SIERRA-NEVADA; TAHOE BASIN; PYRAMID LAKE; QUATERNARY
HISTORY; CALIFORNIA-NEVADA; EXTENDED DROUGHT; LATE PLEISTOCENE; WALKER
LAKE; GREAT-BASIN
AB Millennial-scale shifts in aridity patterns have been documented during the Holocene in the western United States, yet the precise timing, severity, and regional extent of these shifts prompts further study. We present lake sediment core data from Fallen Leaf Lake, a subalpine system at the southern end of the Lake Tahoe basin for which 80% of the contemporary inflow is derived from snowpack delivered by Pacific frontal storm systems. A high quality age model has been constructed using C-14 ages on plant macrofossils, Pb-210, and the Tsoyowata tephra datum (7.74-7.95 cal kyr BP). One core captures the transition from the Late Tioga-younger Dryas glaciolacustrine package to laminated opaline clay at 11.48 cal kyr BR Early Holocene sedimentation rates are relatively high (similar to 1.9 mm/year) and cooler winter temperatures are inferred by the presence of pebbles interpreted to be transported out into the lake via shore ice. There is a geochemically distinct interval from similar to 4.71 to 3.65 cal kyr BP that is interpreted as a late Holocene neopluvial, characterized by depleted delta C-13 and lower C:N that point to reduced runoff of terrigenous organic matter, increased winter precipitation, and increased algal productivity. The largest Holocene signal in the cores occurs at the end of the neopluvial, at 3.65 cal kyr BP, and marks a shift into a climate state with variable precipitation, yet is overall more arid than the neopluvial. This new climate state persists for similar to 3 ka, until the Little Ice Age. Low sedimentation rates (0.5 mm/year), the homogeneous opaline sediment, and steadily increasing contributions of terrestrial vs. algal organic matter in these cores suggest that the lowstand state of Fallen Leaf Lake may have been the norm from 3.65 to 0.55 cal kyr BP, punctuated by short term high precipitation years or multi-year intervals capable of rapid short duration lake level rise. Fallen Leaf Lake is strongly influenced by changes in winter precipitation and temperature, manifested largely by the geochemical proxies, and highlights unique advantages of subalpine lakes in regional paleoclimate reconstructions. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Noble, Paula J.; Smith, Shane B.; Karlin, Robert E.] Univ Nevada, Dept Geol Sci & Engn, Reno, NV 89557 USA.
[Ball, G. Ian] Chevron Energy Technol Co, Houston, TX 77002 USA.
[Zimmerman, Susan H.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA.
[Maloney, Jillian] San Diego State Univ, Dept Geol Sci, San Diego, CA 92182 USA.
[Kent, Graham] Univ Nevada, Nevada Seismol Lab, Reno, NV 89557 USA.
[Adams, Kenneth D.] Desert Res Inst, Div Earth & Ecosyst Sci, Reno, NV 89512 USA.
[Kent, Graham; Driscoll, Neal] Univ Calif San Diego, Scripps Inst Oceanog, Geosci Res Div, La Jolla, CA 92093 USA.
RP Noble, PJ (reprint author), Univ Nevada, Dept Geol Sci & Engn, Reno, NV 89557 USA.
EM noblepj@unr.edu
FU National Science Foundation [EAR-127499, OCE-0649410]; U.S. Geological
Survey National Earthquake Hazards Reduction Program [10HQPA1000,
06HQGR0064, 02HQGR0072]; Lawrence Livermore National Laboratory,
Directed Research and Development [09-ERI-003]; Department of Defense
(DoD) National Defense Science and Engineering Graduate (NDSEG) [32 CFR
168a]; Edna Bailey Sussman Foundation
FX We thank Anders Noren and Kristina Brady (LRC, Univ. MN) who deployed
the Kullenberg coring system at FLL, directed our coring operations, and
provided lab training and support at the LRC. Thanks also to LRC staff
members A. Myrbo, R. O'Grady, and J. Heck who provided helpful advice
during core processing. Thanks to M. Rosen for logistical support and
advice during our planning stages, to L. Stratton for coordinating
coring operations and help with initial core processing, to J. Kleppe
for additional logistical advice and lake access. This project was
funded by National Science Foundation grants EAR-127499 and OCE-0649410,
U.S. Geological Survey National Earthquake Hazards Reduction Program
grants 10HQPA1000, 06HQGR0064, and 02HQGR0072, Lawrence Livermore
National Laboratory, Directed Research and Development grant 09-ERI-003,
Department of Defense (DoD) National Defense Science and Engineering
Graduate (NDSEG) Fellowship 32 CFR 168a, and the Edna Bailey Sussman
Foundation.
NR 65
TC 0
Z9 0
U1 5
U2 16
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 0277-3791
J9 QUATERNARY SCI REV
JI Quat. Sci. Rev.
PD JAN 1
PY 2016
VL 131
BP 193
EP 210
DI 10.1016/j.quascirev.2015.10.037
PN A
PG 18
WC Geography, Physical; Geosciences, Multidisciplinary
SC Physical Geography; Geology
GA DA0MC
UT WOS:000367490200013
ER
PT J
AU Wang, WC
Tao, L
AF Wang, Wei-Cheng
Tao, Ling
TI Bio-jet fuel conversion technologies
SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS
LA English
DT Review
DE Bio-jet fuel; Alcohol-to-jet; Hydro-processed renewable jet;
Fischer-Tropsch; Catalytic upgrading sugars to hydrocarbons; Direct
sugar to hydrocarbon
ID LIFE-CYCLE ASSESSMENT; FISCHER-TROPSCH PROCESS; DILUTE SULFURIC-ACID;
WASTE COOKING OIL; TECHNOECONOMIC ANALYSIS; BIODIESEL PRODUCTION; FAST
PYROLYSIS; THERMOCHEMICAL CONVERSION; CLOSTRIDIUM-BEIJERINCKII;
ETHANOL-PRODUCTION
AB Biomass-derived jet (bio-jet) fuel has become a key element in the aviation industry's strategy to reduce operating costs and environmental impacts. Researchers from the oil-refining industry, the aviation industry, government, biofuel companies, agricultural organizations, and academia are working toward developing a commercially viable and sustainable process that produces a long-lasting renewable jet fuel with low production costs and low greenhouse emissions. This jet fuel, additionally, must meet ASTM International specifications and potentially be a 100% drop-in replacement for current petroleum jet fuel. In this study, the current technologies for producing renewable jet fuels, categorized by alcohols-to-jet, oil-to-jet, syngas-to-jet, and sugar-to-jet pathways are reviewed. The main challenges for each technology pathway, including conceptual process design, process economics and life-cycle assessment of greenhouse gas emissions are discussed. Although the feedstock price and availability and energy intensity of the process are significant barriers, biomass-derived jet fuel has the potential to replace a significant portion of conventional jet fuel required to meet commercial and military demand. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Wang, Wei-Cheng] Natl Cheng Kung Univ, Dept Aeronaut & Astronaut, Tainan 70101, Taiwan.
[Wang, Wei-Cheng] Natl Cheng Kung Univ, Res Ctr Energy Technol & Strategy, Tainan 70101, Taiwan.
[Tao, Ling] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Wang, WC (reprint author), Natl Cheng Kung Univ, Dept Aeronaut & Astronaut, 1 Univ Rd, Tainan 70101, Taiwan.
EM wilsonwang@mail.ncku.edu.tw
FU Ministry of Science and Technology, Taiwan [104-2628-E-006-007-MY3];
U.S. Department of Energy, Bioenergy Technologies Office
[DE-AC36-08GO28308]; National Renewable Energy Laboratory
FX The work was sponsored by the Ministry of Science and Technology,
Taiwan, through grant 104-2628-E-006-007-MY3 and also supported by the
U.S. Department of Energy, Bioenergy Technologies Office, under Contract
no. DE-AC36-08GO28308 with the National Renewable Energy Laboratory.
NR 242
TC 9
Z9 10
U1 37
U2 79
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1364-0321
J9 RENEW SUST ENERG REV
JI Renew. Sust. Energ. Rev.
PD JAN
PY 2016
VL 53
BP 801
EP 822
DI 10.1016/j.rser.2015.09.016
PG 22
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels
SC Science & Technology - Other Topics; Energy & Fuels
GA DA4GL
UT WOS:000367758100056
ER
PT J
AU Youinou, GJ
AF Youinou, Gilles J.
TI Powering sustainable low-carbon economies: Some facts and figures
SO RENEWABLE & SUSTAINABLE ENERGY REVIEWS
LA English
DT Review
DE Renewable energy; Nuclear energy; Natural resources; CO2 emissions;
Costs
AB The latest report from the Intergovernmental Panel on Climate Change urges that global CO2 emissions from the power sector should be reduced by 90 percent or more below 2010 levels between 2040 and 2070. Such a reduction will most likely require greatly increasing the share of wind, solar, energy storage and nuclear energy in the energy mix in the next 40-50 years. This paper emphasizes the importance of developing large energy storage systems without which, wind and solar can only have a limited impact on CO2 emissions as it will depend mainly on the energy mix used during wind and solar down time. The large areas that are required would be challenging, but not unrealistic, as long as a solution for energy storage exists. Carbon capture and storage has considerable potential to reduce CO2 emissions from coal and gas power plants, but also from heavy industries such as cement and steel manufacturing. To give an idea of the scale of the required infrastructure, in the United States, coal and gas power plants emit approximately 2.4 billion tonnes of CO2 per year; whereas the US annual petroleum consumption is about 0.9 billion tonnes (6.9 billion barrels). This paper also emphasizes that uranium and thorium used in breeder reactors represent an almost infinite source of low-carbon energy. The issues associated with the management of nuclear wastes are real, but they are not the uniquely difficult issues perceived by the media, much of the public and by many politicians. Finally, the investment necessary to implement a wind and solar powered economy would very likely be higher than that necessary to implement a nuclear powered economy because of the much larger number of GWe required. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Youinou, Gilles J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA.
RP Youinou, GJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA.
EM gilles.youinou@inl.gov
NR 63
TC 4
Z9 4
U1 18
U2 67
PU PERGAMON-ELSEVIER SCIENCE LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
SN 1364-0321
J9 RENEW SUST ENERG REV
JI Renew. Sust. Energ. Rev.
PD JAN
PY 2016
VL 53
BP 1626
EP 1633
DI 10.1016/j.rser.2015.08.067
PG 8
WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels
SC Science & Technology - Other Topics; Energy & Fuels
GA DA4GL
UT WOS:000367758100116
ER
PT J
AU Prill, D
Juhas, P
Billinge, SJL
Schmidt, MU
AF Prill, Dragica
Juhas, Pavol
Billinge, Simon J. L.
Schmidt, Martin U.
TI Towards solution and refinement of organic crystal structures by fitting
to the atomic pair distribution function
SO ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES
LA English
DT Article
DE pair distribution function; organic crystal structures; structure
refinement; structure solution
ID RAY-POWDER DIFFRACTION; X-RAY; INTERATOMIC DISTANCES;
ELECTRON-DIFFRACTION; MOLECULAR STRUCTURE; NANOSTRUCTURE; NANOPARTICLES;
COMPONENTS; SOFTWARE; PROGRAM
AB A method towards the solution and refinement of organic crystal structures by fitting to the atomic pair distribution function (PDF) is developed. Approximate lattice parameters and molecular geometry must be given as input. The molecule is generally treated as a rigid body. The positions and orientations of the molecules inside the unit cell are optimized starting from random values. The PDF is obtained from carefully measured X-ray powder diffraction data. The method resembles 'real-space' methods for structure solution from powder data, but works with PDF data instead of the diffraction pattern itself. As such it may be used in situations where the organic compounds are not long-range-ordered, are poorly crystalline, or nanocrystalline. The procedure was applied to solve and refine the crystal structures of quinacridone (beta phase), naphthalene and allopurinol. In the case of allopurinol it was even possible to successfully solve and refine the structure in P1 with four independent molecules. As an example of a flexible molecule, the crystal structure of paracetamol was refined using restraints for bond lengths, bond angles and selected torsion angles. In all cases, the resulting structures are in excellent agreement with structures from single-crystal data.
C1 [Prill, Dragica; Schmidt, Martin U.] Goethe Univ Frankfurt, Inst Inorgan & Analyt Chem, D-60438 Frankfurt, Germany.
[Juhas, Pavol; Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
[Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA.
RP Billinge, SJL (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA.
EM sb2896@columbia.edu; m.schmidt@chemie.uni-frankfurt.de
RI Fachbereich14, Dekanat/C-8553-2015;
OI Juhas, Pavol/0000-0001-8751-4458
FU Laboratory Directed Research and Development (LDRD) (Complex Modelling)
at Brookhaven National Laboratory (BNL) [12-007]; US Department of
Energy [SC0012704]; US Department of Energy, Division of Materials
Sciences and Division of Chemical Sciences [DE-SC00112704]
FX The authors acknowledge the participation of Jan von Cosel and Benedikt
Kloss (both Goethe University) on this project. Data collection,
development of the DiffPy-CMI modelling software and PDF simulations
were supported by Laboratory Directed Research and Development (LDRD)
Program 12-007 (Complex Modelling) at Brookhaven National Laboratory
(BNL), which is supported by US Department of Energy through contract
SC0012704. X-ray experiments were carried out at the National
Synchrotron Light Source (NSLS) beamline X17A, at BNL. BNL is supported
by the US Department of Energy, Division of Materials Sciences and
Division of Chemical Sciences, DE-SC00112704.
NR 45
TC 2
Z9 2
U1 8
U2 27
PU INT UNION CRYSTALLOGRAPHY
PI CHESTER
PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND
SN 2053-2733
J9 ACTA CRYSTALLOGR A
JI Acta Crystallogr. Sect. A
PD JAN
PY 2016
VL 72
BP 62
EP 72
DI 10.1107/S2053273315022457
PN 1
PG 11
WC Chemistry, Multidisciplinary; Crystallography
SC Chemistry; Crystallography
GA CZ8UE
UT WOS:000367373800006
PM 26697868
ER
PT J
AU Angyal, A
Ilyas, Z
Hadadi, E
Johnston, J
Ariaans, M
Kraus, R
Wilson, H
Bauer, R
Rader, D
Francis, S
Kiss-Toth, E
AF Angyal, Adrienn
Ilyas, Zabran
Hadadi, Eva
Johnston, Jessica
Ariaans, Mark
Kraus, Ronald
Wilson, Heather
Bauer, Robert
Rader, Daniel
Francis, Sheila
Kiss-Toth, Endre
TI DOES MYELOID EXPRESSION OF TRIB1 REGULATE PLASMA LIPID LEVELS
SO ATHEROSCLEROSIS
LA English
DT Meeting Abstract
C1 [Angyal, Adrienn; Ilyas, Zabran; Hadadi, Eva; Johnston, Jessica; Ariaans, Mark; Wilson, Heather; Francis, Sheila; Kiss-Toth, Endre] Univ Sheffield, Dept Cardiovasc Sci, Sheffield, S Yorkshire, England.
[Kraus, Ronald] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA.
[Bauer, Robert; Rader, Daniel] Univ Penn, Cardiovasc Inst, Philadelphia, PA 19104 USA.
[Bauer, Robert; Rader, Daniel] Univ Penn, Inst Translat Med & Therapeut, Philadelphia, PA 19104 USA.
RI Kiss-Toth, Endre/A-8596-2014
OI Kiss-Toth, Endre/0000-0003-4406-4017
NR 0
TC 0
Z9 0
U1 0
U2 1
PU ELSEVIER IRELAND LTD
PI CLARE
PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000,
IRELAND
SN 0021-9150
EI 1879-1484
J9 ATHEROSCLEROSIS
JI Atherosclerosis
PD JAN
PY 2016
VL 244
BP E6
EP E7
PG 2
WC Cardiac & Cardiovascular Systems; Peripheral Vascular Disease
SC Cardiovascular System & Cardiology
GA CZ8UR
UT WOS:000367375100021
ER
PT J
AU Kim, S
No, K
Hong, S
AF Kim, Suran
No, Kwangsoo
Hong, Seungbum
TI Visualization of ion transport in Nafion using electrochemical strain
microscopy
SO CHEMICAL COMMUNICATIONS
LA English
DT Article
ID ATOMIC-FORCE MICROSCOPY; FUEL-CELLS; PROTON CONDUCTIVITY; NANOSCALE;
MEMBRANES; ELECTROLYTES; ELECTRODES; ACTUATORS; DYNAMICS; TIME
AB The electromechanical response of a Nafion membrane immersed in water was probed using electrochemical strain microscopy (ESM) to redistribute protons and measure the resulting local strain that is caused by the movement of protons. We also measured the relaxation of protons from the surface resulting from proton diffusion. Using this technique, we can visualize and analyze the local strain change resulting from the redistribution and relaxation of hydrated protons.
C1 [Kim, Suran; Hong, Seungbum] Argonne Natl Lab, Div Mat Sci, Lemont, IL 60439 USA.
[Kim, Suran; No, Kwangsoo; Hong, Seungbum] Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Daejeon 305701, South Korea.
RP No, K (reprint author), Korea Adv Inst Sci & Technol, Dept Mat Sci & Engn, Daejeon 305701, South Korea.
EM ksno@kaist.ac.kr; hong@anl.gov
RI Hong, Seungbum/B-7708-2009; No, Kwangsoo/C-1983-2011
OI Hong, Seungbum/0000-0002-2667-1983;
FU U.S. Department of Energy, Office of Science, Materials Sciences and
Engineering Division; National Research Foundation of Korea (NRF) -
Korean government [2015R1D1A1A01056983]; Brain Korea 21 Plus; KAIST
FX The work was supported by the U.S. Department of Energy, Office of
Science, Materials Sciences and Engineering Division. The work at KAIST
(S. K. and K. N., sample preparation and manuscript writing) was
supported by the National Research Foundation of Korea (NRF) funded by
the Korean government (No. 2015R1D1A1A01056983). S. K. acknowledges
support from Brain Korea 21 Plus and KAIST for the guest graduate
student program at Argonne National Laboratory.
NR 32
TC 3
Z9 3
U1 4
U2 15
PU ROYAL SOC CHEMISTRY
PI CAMBRIDGE
PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS,
ENGLAND
SN 1359-7345
EI 1364-548X
J9 CHEM COMMUN
JI Chem. Commun.
PY 2016
VL 52
IS 4
BP 831
EP 834
DI 10.1039/c5cc07412f
PG 4
WC Chemistry, Multidisciplinary
SC Chemistry
GA CZ8BA
UT WOS:000367323700045
PM 26579550
ER
PT J
AU Gao, Y
Shan, RQ
Lyra, S
Li, C
Wang, H
Chen, JH
Lu, TF
AF Gao, Yang
Shan, Ruiqin
Lyra, Sgouria
Li, Cong
Wang, Hai
Chen, Jacqueline H.
Lu, Tianfeng
TI On lumped-reduced reaction model for combustion of liquid fuels
SO COMBUSTION AND FLAME
LA English
DT Article
DE Model reduction; Lumped fuel cracking reactions; Bifurcation analysis;
Direct numerical simulation; n-Dodecane; n-Butane
ID PERFECTLY STIRRED REACTORS; N-DODECANE OXIDATION; REACTION-MECHANISMS;
IGNITION; FLAME; BIFURCATION; EXTINCTION; REDUCTION
AB A systematic approach to developing compact reduced reaction models is proposed for liquid hydrocarbon fuels using n-dodecane and n-butane as the model fuels. The approach has three elements. Fast fuel cracking reactions are treated by the quasi-steady state approximation (QSSA) and lumped into semi-global reactions to yield key cracking products that are C-1-C-4 in size. Directed relation graph (DRG) and sensitivity analysis reduce the foundational fuel chemistry model to a skeletal model describing the oxidation of the C1-C4 compounds. Timescale-based reduction using, e.g., QSSA, is then employed to produce the final reduced model. For n-dodecane, a 24-species reduced model is derived from JetSurF and tested against the detailed model for auto-ignition, perfectly stirred reactors (PSR), premixed flame propagation, and extinction of premixed and non-premixed counterflow flames. It is shown that the QSSA of fuel cracking reactions is valid and robust under high-temperature conditions from laminar flames, where mixing is controlled by molecular diffusion, to perfectly stirred reactors, which correspond to the limit of fast turbulent mixing. Bifurcation analysis identifies the controlling processes of ignition and extinction and shows that these phenomena are insensitive to the details of fuel cracking. To verify the applicability of the above finding to turbulent flames, 2-D direct numerical simulation (DNS) of a lean turbulent premixed flame of n-butane/air with Karlovitz number of 250 was carried out using a reduced model developed from USC-Mech II. The results show that QSSA for fuel cracking remains valid even under intense turbulence conditions. Statistical analysis of the DNS data shows that fuel cracking is complete before the flame zone, and for the conditions tested, turbulent transport does not bring any significant fuel molecules into the flame zones, thus further substantiating the validity of the approach proposed. (C) 2015 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
C1 [Gao, Yang; Shan, Ruiqin; Li, Cong; Lu, Tianfeng] Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA.
[Lyra, Sgouria; Chen, Jacqueline H.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.
[Wang, Hai] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA.
RP Lu, TF (reprint author), Univ Connecticut, Dept Mech Engn, Storrs, CT 06269 USA.
EM tlu@engr.uconn.edu
RI Lu, Tianfeng/D-7455-2014
OI Lu, Tianfeng/0000-0001-7536-1976
FU Air Force Office of Scientific Research [FA9550-13-1-0057,
FA9550-11-1-0217, FA9550-15-1-0496, FA9550-12-1-0472]; Division of
Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy
Sciences of the US Department of Energy; United States Department of
Energy [DE-AC04-94AL85000]
FX This work was supported by the Air Force Office of Scientific Research
under Grants FA9550-13-1-0057, FA9550-11-1-0217, FA9550-15-1-0496 and
FA9550-12-1-0472, and by the Division of Chemical Sciences, Geosciences
and Biosciences, Office of Basic Energy Sciences of the US Department of
Energy. Sandia is a multiprogram laboratory operated by Sandia
Corporation, a Lockheed Martin Company, for the United States Department
of Energy under Contract DE-AC04-94AL85000.
NR 34
TC 2
Z9 2
U1 6
U2 12
PU ELSEVIER SCIENCE INC
PI NEW YORK
PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA
SN 0010-2180
EI 1556-2921
J9 COMBUST FLAME
JI Combust. Flame
PD JAN
PY 2016
VL 163
BP 437
EP 446
DI 10.1016/j.combustflame.2015.10.018
PG 10
WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary;
Engineering, Chemical; Engineering, Mechanical
SC Thermodynamics; Energy & Fuels; Engineering
GA CZ7KP
UT WOS:000367278600035
ER
PT J
AU Gedenk, E
AF Gedenk, Eric
TI Researchers Mine Information from Next-Generation Subsurface Flow
Simulations
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Article
C1 [Gedenk, Eric] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
RP Gedenk, E (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA.
EM gedenked@ornl.gov
FU DOE Office of Science User Facility [DE-AC05-00OR22725,
DE-AC02-06CH11357]; US Department of Energy [DE-AC05-00OR22725]; DOE
Public Access Plan
FX The Oak Ridge Leadership Computing Facility is a DOE Office of Science
User Facility supported under contract DE-AC05-00OR22725. The Argonne
Leadership Computing Facility is a DOE Office of Science User Facility
supported under contract DE-AC02-06CH11357. This manuscript has been
authored by UT-Battelle, LLC under contract DE-AC05-00OR22725 with the
US Department of Energy. The US government retains and the publisher, by
accepting the article for publication, acknowledges that the US
government retains a nonexclusive, paid-up, irrevocable, worldwide
license to publish or reproduce the published form of this manuscript,
or allow others to do so, for US government purposes. The DOE will
provide public access to these results of federally sponsored research
in accordance with the DOE Public Access Plan
(http://energy.gov/downloads/doe-public-access-plan).
NR 0
TC 0
Z9 0
U1 0
U2 0
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1521-9615
EI 1558-366X
J9 COMPUT SCI ENG
JI Comput. Sci. Eng.
PD JAN-FEB
PY 2016
VL 18
IS 1
BP 88
EP 91
DI 10.1109/MCSE.2016.15
PG 4
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA CZ7DS
UT WOS:000367260700010
ER
PT J
AU Dasgupta, A
Poco, J
Bertini, E
Silva, CT
AF Dasgupta, Aritra
Poco, Jorge
Bertini, Enrico
Silva, Claudio T.
TI Reducing the Analytical Bottleneck for Domain Scientists: Lessons from a
Climate Data Visualization Case Study
SO COMPUTING IN SCIENCE & ENGINEERING
LA English
DT Article
ID INFORMATION VISUALIZATION; UNCERTAINTY; USERS
C1 [Dasgupta, Aritra] Pacific NW Natl Lab, Richland, WA 99352 USA.
[Poco, Jorge] Univ Washington, Seattle, WA 98195 USA.
[Bertini, Enrico; Silva, Claudio T.] NYU, Sch Engn, New York, NY 10003 USA.
RP Dasgupta, A (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA.
EM aritra.dasgupta@pnnl.gov; jpocom@uw.edu; enrico.bertini@nyu.edu;
csilva@nyu.edu
OI Poco, Jorge/0000-0001-9096-6287
NR 21
TC 0
Z9 0
U1 2
U2 5
PU IEEE COMPUTER SOC
PI LOS ALAMITOS
PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA
SN 1521-9615
EI 1558-366X
J9 COMPUT SCI ENG
JI Comput. Sci. Eng.
PD JAN-FEB
PY 2016
VL 18
IS 1
BP 92
EP 100
PG 9
WC Computer Science, Interdisciplinary Applications
SC Computer Science
GA CZ7DS
UT WOS:000367260700011
ER
PT J
AU Foust, RD
Bauer, AM
Costanza-Robinson, M
Blinn, DW
Prince, RC
Pickering, IJ
George, GN
AF Foust, Richard D., Jr.
Bauer, Anne-Marie
Costanza-Robinson, Molly
Blinn, Dean W.
Prince, Roger C.
Pickering, Ingrid J.
George, Graham N.
TI Arsenic transfer and biotransformation in a fully characterized
freshwater food web
SO COORDINATION CHEMISTRY REVIEWS
LA English
DT Review
DE Arsenic; Biotransformation; Diminution; Food web; Montezuma Well
ID RAY-ABSORPTION SPECTROSCOPY; SECONDARY PRODUCTION; POPULATION-DYNAMICS;
SPECIATION; CHAIN; RICE; BIOACCUMULATION; HETEROPTERA; GROUNDWATER;
METABOLISM
AB X-ray absorption near edge spectroscopy (XANES) was combined with ICP-MS to understand arsenic transfer and transformation within the freshwater Montezuma Well (central Arizona, USA) food web. Montezuma Well water contains 110 mu gL(-1) arsenic (100% H3AsO4), which was shown previously to originate from ore deposits approximately 30 km to the west, and transported underground to enter Montezuma Well through vents in the bottom of this collapsed travertine spring. The Montezuma Well food web contains three trophic levels with only five organisms in the top two levels, making it possible to account for the arsenic in >90% of the biomass of the food web. Arsenic diminution generally occurs between trophic levels, with 702 mg kg(-1) As in the primary producers, 3.4 mg kg(-1) As in the second trophic level, and <1.3 mg kg(-1) As for the top-tier of the littoral zone food web. A notable exception to the biodiminution trend is the very high total arsenic content (2810 mg kg(-1)) of Motobdella montezuma, an endemic leech and top predator. The biotransformed (sulfur-coordinated) arsenic in M. montezuma appears to be present almost entirely on the surface of the organism, possibly suggesting a detoxification mechanism. XANES sample spectra were fit by a linear combination of model arsenic compound spectra and indicated that arsenic enters the food web from the Well water entirely as inorganic As(V) and is transformed within the food web into more reduced and organic arsenic species, including sulfur-coordinated and methylated compounds. (C) 2015 Elsevier B.V. All rights reserved.
C1 [Foust, Richard D., Jr.; Bauer, Anne-Marie; Costanza-Robinson, Molly] No Arizona Univ, Dept Chem & Biochem, Flagstaff, AZ 86011 USA.
[Blinn, Dean W.] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA.
[Prince, Roger C.] ExxonMobil Res & Engn Co, Annandale, NJ 08801 USA.
[Pickering, Ingrid J.; George, Graham N.] Stanford Synchrotron Radiat Lab, Menlo Pk, CA USA.
RP Foust, RD (reprint author), James Madison Univ, Dept Chem & Biochem, Harrisonburg, VA 22807 USA.
EM foustrd@jmu.edu
RI Pickering, Ingrid/A-4547-2013;
OI Pickering, Ingrid/0000-0002-0936-2994
FU U.S. Department of Energy [DE-FC04-90AL66158, DE-FC02-02-EW15254];
National Science Foundation [DBI-0244221, CHE-0116804]; Department of
Energy, Offices of Basic Energy Sciences and Biological and
Environmental Research [DE-AC03-76SF00515]; National Institutes of
Health, National Center for Research Resources, Biomedical Technology
Program; National Institute of General Medical Sciences
FX We acknowledge the financial assistance of the U.S. Department of Energy
through two cooperative agreements, DE-FC04-90AL66158 and
DE-FC02-02-EW15254, administered by the HBCU-MI Environmental Technology
Consortium. We also acknowledge the financial assistance of the National
Science Foundation for grants DBI-0244221 and CHE-0116804. This work was
performed at SLAC National Accelerator Laboratory, Menlo Park, CA,
operated by Stanford University for the U.S. Department of Energy Office
of Science. The Stanford Synchrotron Radiation Laboratory is funded by
the Department of Energy, Offices of Basic Energy Sciences and
Biological and Environmental Research (DE-AC03-76SF00515); the National
Institutes of Health, National Center for Research Resources, Biomedical
Technology Program, and the National Institute of General Medical
Sciences. We are grateful to Mr. Glenn Henderson and Ms. Kathy Davis,
Park Superintendents for Montezuma Well National Monument, for their
support and for granting access to the Well as needed for this research
project. We thank Professor Michael Ketterer, Metropolitan State
University of Denver, for assistance obtaining ICP-MS data. Finally, we
wish to thank Professor David Salt, Purdue University, for assistance in
gaining access to the facilities at SSRL and for his many helpful
suggestions in preparing biological samples for XANES analysis.
NR 60
TC 0
Z9 0
U1 10
U2 34
PU ELSEVIER SCIENCE SA
PI LAUSANNE
PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND
SN 0010-8545
EI 1873-3840
J9 COORDIN CHEM REV
JI Coord. Chem. Rev.
PD JAN 1
PY 2016
VL 306
SI SI
BP 558
EP 565
DI 10.1016/j.ccr.2015.03.005
PN 2
PG 8
WC Chemistry, Inorganic & Nuclear
SC Chemistry
GA DA0JL
UT WOS:000367483300008
ER
PT J
AU Jia, WX
Liu, M
Yang, YH
He, HL
Zhu, XD
Yang, F
Yin, C
Xiang, WN
AF Jia, Wenxiao
Liu, Min
Yang, Yuanhe
He, Honglin
Zhu, Xudong
Yang, Fang
Yin, Cai
Xiang, Weining
TI Estimation and uncertainty analyses of grassland biomass in Northern
China: Comparison of multiple remote sensing data sources and modeling
approaches
SO ECOLOGICAL INDICATORS
LA English
DT Article
DE Grassland biomass; NDVI; Root-to-shoot ratio; Uncertainty analysis;
Northern China
ID NET PRIMARY PRODUCTIVITY; ABOVEGROUND BIOMASS; CARBON STORAGE;
TIME-SERIES; MODIS; VEGETATION; PATTERNS; AVHRR; PERFORMANCE; ALLOCATION
AB Accurate estimation of grassland biomass and its dynamics are crucial not only for the biogeochemical dynamics of terrestrial ecosystems, but also for the sustainable use of grassland resources. However, estimations of grassland biomass on large spatial scale usually suffer from large variability and mostly lack quantitative uncertainty analyses. In this study, the spatial grassland biomass estimation and its uncertainty were assessed based on 265 field measurements and remote sensing data across Northern China during 2001-2005. Potential sources of uncertainty, including remote sensing data sources (DATsrc), model forms (MODfrm) and model parameters (biomass allocation, BMallo, e.g. root:shoot ratio), were determined and their relative contribution was quantified. The results showed that the annual grassland biomass in Northern China was 1268.37 +/- 180.84Tg (i.e., 532.02 +/- 99.71 g/m(2)) during 2001-2005, increasing from western to eastern area, with a mean relative uncertainty of 19.8%. There were distinguishable differences among the uncertainty contributions of three sources (BMallo >DATsrc>MODfrm), which contributed 52%, 27% and 13%, respectively. This study highlighted the need to concern the uncertainty in grassland biomass estimation, especially for the uncertainty related to BMallo. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Jia, Wenxiao; Liu, Min; Yang, Fang; Xiang, Weining] E China Normal Univ, Sch Ecol & Environm Sci, Shanghai Key Lab Urban Ecol Proc & EcoRestorat, Shanghai 200241, Peoples R China.
[Yang, Yuanhe] Chinese Acad Sci, Inst Bot, State Key Lab Vegetat & Environm Change, Beijing 100093, Peoples R China.
[He, Honglin] Chinese Acad Sci, Inst Geog Sci & Nat Resources Res, Key Lab Ecosyst Network Observat & Modeling, Beijing 100101, Peoples R China.
[Zhu, Xudong] Colorado State Univ, Nat Resource Ecol Lab, Ft Collins, CO 80523 USA.
[Zhu, Xudong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA.
[Yin, Cai] E China Normal Univ, Sch Geog Sci, Shanghai 200241, Peoples R China.
RP Liu, M (reprint author), E China Normal Univ, Sch Ecol & Environm Sci, Shanghai Key Lab Urban Ecol Proc & EcoRestorat, Shanghai 200241, Peoples R China.
EM mliu@re.ecnu.edu.cn
RI Yang, Yuanhe/D-1448-2011
FU Non-profit Special Research fund of National Environmental Protection of
China [201109030]; Science and Technology Projects of China on
"Certified carbon budget affected by climate change and related issues"
[XDA05050700]; National Natural Science Foundation of China [41201092,
41471076]
FX This study benefited from the NASA's Earth Observing System (EOS) Data
Gateway for the AVHRR, SPOT-VGT, and MODIS NDVI products. This study was
supported by the Non-profit Special Research fund of National
Environmental Protection of China (201109030), the Science and
Technology Projects of China on "Certified carbon budget affected by
climate change and related issues" (grant XDA05050700), and the National
Natural Science Foundation of China (grant 41201092, 41471076). The
authors thank Dr. Varenyam Achal for revising and polishing the English
writing. We are also very grateful for three anonymous reviewers in
providing invaluable suggestions and comments, which helped us to
improve this manuscript.
NR 54
TC 1
Z9 2
U1 10
U2 41
PU ELSEVIER SCIENCE BV
PI AMSTERDAM
PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
SN 1470-160X
EI 1872-7034
J9 ECOL INDIC
JI Ecol. Indic.
PD JAN
PY 2016
VL 60
BP 1031
EP 1040
DI 10.1016/j.ecolind.2015.09.001
PG 10
WC Biodiversity Conservation; Environmental Sciences
SC Biodiversity & Conservation; Environmental Sciences & Ecology
GA CZ9GW
UT WOS:000367407000104
ER
PT J
AU Sathre, R
Breunig, H
Greenblatt, J
Larsen, P
Masanet, E
McKone, T
Quinn, N
Scown, C
AF Sathre, Roger
Breunig, Hanna
Greenblatt, Jeffery
Larsen, Peter
Masanet, Eric
McKone, Thomas
Quinn, Nigel
Scown, Corinne
TI Spatially-explicit water balance implications of carbon capture and
sequestration
SO ENVIRONMENTAL MODELLING & SOFTWARE
LA English
DT Article
DE Water balance; Water stress; CCS; Climate change mitigation; GIS;
Electricity supply
ID POWER-PLANTS; CO2 CAPTURE; STORAGE; MANAGEMENT; DIOXIDE; IMPACTS
AB Implementation of carbon capture and sequestration (CCS) will increase water demand due to the cooling water requirements of CO2 capture equipment. If the captured CO2 is injected into saline aquifers for sequestration, brine may be extracted to manage the aquifer pressure, and can be desalinated to provide additional freshwater supply. We conduct a geospatial analysis to determine how CCS may affect local water supply and demand across the contiguous United States. We calculate baseline indices for each county in the year 2005, and project future water supply and demand with and without CCS through 2030. We conduct sensitivity analyses to identify the system parameters that most significantly affect water balance. Water supply changes due to inter-annual variability and projected climate change are overwhelmingly the most significant sources of variation. CCS can have strong local effects on water supply and demand, but overall it has a modest effect on water balances. (C) 2015 Elsevier Ltd. All rights reserved.
C1 [Sathre, Roger; Breunig, Hanna; Greenblatt, Jeffery; Larsen, Peter; McKone, Thomas; Quinn, Nigel; Scown, Corinne] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
[Breunig, Hanna; McKone, Thomas] Univ Calif Berkeley, Berkeley, CA 94720 USA.
[Larsen, Peter] Stanford Univ, Stanford, CA 94305 USA.
[Masanet, Eric] Northwestern Univ, Evanston, IL USA.
RP Sathre, R (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA.
EM rsathre@lbl.gov
RI Scown, Corinne/D-1253-2013; Masanet, Eric /I-5649-2012; Quinn,
Nigel/G-2407-2015
OI Quinn, Nigel/0000-0003-3333-4763
FU U.S. Department of Energy [DE-AC02-05CH11231]
FX Lawrence Berkeley National Laboratory is supported by the U.S.
Department of Energy under Contract No. DE-AC02-05CH11231.
NR 36
TC 0
Z9 0
U1 2
U2 8
PU ELSEVIER SCI LTD
PI OXFORD
PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND
SN 1364-8152
EI 1873-6726
J9 ENVIRON MODELL SOFTW
JI Environ. Modell. Softw.
PD JAN
PY 2016
VL 75
SI SI
BP 153
EP 162
DI 10.1016/j.envsoft.2015.10.011
PG 10
WC Computer Science, Interdisciplinary Applications; Engineering,
Environmental; Environmental Sciences
SC Computer Science; Engineering; Environmental Sciences & Ecology
GA CZ4XI
UT WOS:000367105900012
ER
PT J
AU Young, DL
Nemeth, W
LaSalvia, V
Reedy, R
Essig, S
Bateman, N
Stradins, P
AF Young, David L.
Nemeth, William
LaSalvia, Vincenzo
Reedy, Robert
Essig, Stephanie
Bateman, Nicholas
Stradins, Paul
TI Interdigitated Back Passivated Contact (IBPC) Solar Cells Formed by Ion
Implantation
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Ion implantation; passivated contacts; silicon solar cells
ID SI; INTERFACE; OXIDES
AB We describe work toward an interdigitated back passivated contact (IBPC) solar cell formed by patterned ion-implanted passivated contacts. Formation of electron and hole passivated contacts to n-type Cz wafers using a thin SiO2 layer and ion-implanted amorphous silicon (a-Si) is described. P and B were ion implanted into intrinsic a-Si films, forming symmetric and IBPC test structures. The recombination parameter J(0), as measured by a Sinton lifetime tester after thermal annealing, was J(0) similar to 2.4 fA/cm(2) for Si: P and J(0) similar to 10 fA/cm(2) for Si: B contacts. The contact resistivity for the passivated contacts was found to be 0.46 Omega.cm(2) for the n-type contact and 0.04 Omega.cm(2) for the p-type contact. The IBPC solar cell test structure gave 1-sun V-oc values of 682 mV and pFF = 80%. The benefits of the ion-implanted IBPC cell structure are discussed.
C1 [Young, David L.; Nemeth, William; LaSalvia, Vincenzo; Reedy, Robert; Essig, Stephanie; Stradins, Paul] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Bateman, Nicholas] Appl Mat Inc, Gloucester, MA 01930 USA.
RP Young, DL (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM david.young@nrel.gov; william.nemeth@nrel.gov;
Vincenzo.LaSalvia@nrel.gov; Bob.Reedy@nrel.gov;
stephanie.essig@googlemail.com; Nicholas_Bateman@amat.com;
pauls.stradins@nrel.gov
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
NR 28
TC 2
Z9 2
U1 2
U2 18
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 41
EP 47
DI 10.1109/JPHOTOV.2015.2483364
PG 7
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900006
ER
PT J
AU Campanelli, MB
Osterwald, CR
AF Campanelli, Mark B.
Osterwald, Carl R.
TI Effective Irradiance Ratios to Improve I-V Curve Measurements and Diode
Modeling Over a Range of Temperature and Spectral and Total Irradiance
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Current-voltage (I-V) curve measurement; diode model; effective
irradiance ratio; irradiance dependence; model calibration;
short-circuit current temperature coefficient; spectral correction;
spectral dependence; temperature dependence
ID SOLAR-CELLS; CALIBRATION; PERFORMANCE
AB We present an integrated measurement and modeling approach based on the effective irradiance ratio, which is simply the ratio of the short-circuit current of a photovoltaic (PV) device under operating conditions to its short-circuit current under standard test conditions. Using a PV reference device to measure effective irradiance with respect to a standard spectrum, this approach handles device-specific and reference-device-specific temperature and spectral irradiance effects that are significant factors in performance measurements, such as IEC 61853-1, as well as in the diode-based equivalent circuit performance models that are calibrated from such measurements. Avoiding the use of spectrally dependent short-circuit current temperature coefficients, this approach uses a temperature-dependent spectral correction function that is a direct extension of the standardized spectral correction parameter used by numerous PV calibration laboratories. When a matched reference device is used, this function becomes identically one, and it need not be computed. This approach should be useful in the advancement of PV performance testing and modeling that use reference devices to monitor irradiance.
C1 [Campanelli, Mark B.] Intelligent Measurement Syst LLC, Bozeman, MT 59715 USA.
[Osterwald, Carl R.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Campanelli, MB (reprint author), Intelligent Measurement Syst LLC, Bozeman, MT 59715 USA.
EM mark.campanelli@gmail.com; Carl.Osterwald@nrel.gov
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory.
NR 31
TC 1
Z9 1
U1 0
U2 1
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 48
EP 55
DI 10.1109/JPHOTOV.2015.2489866
PG 8
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900007
ER
PT J
AU Simon, J
Schulte, KL
Young, DL
Haegel, NM
Ptak, AJ
AF Simon, John
Schulte, Kevin L.
Young, David L.
Haegel, Nancy M.
Ptak, Aaron J.
TI GaAs Solar Cells Grown by Hydride Vapor-Phase Epitaxy and the
Development of GaInP Cladding Layers
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Gallium arsenide; hydride vapor-phase epitaxy (HVPE); photovoltaics
AB The high cost of high-efficiency III-V photovoltaic devices currently limits them to niche markets. Hydride vapor-phase epitaxy (HVPE) growth of III-V materials recently reemerged as a low-cost, high-throughput alternative to conventional metal-organic vapor-phase epitaxy (MOVPE) growth of high-efficiency solar cells. Previously, we demonstrated unpassivated HVPE-grown GaAs p-n junctions with good quantum efficiency and high open-circuit voltage (V-oc). In this work, we demonstrate the growth of GaInP by HVPE for use as a high-quality surface passivation layer to GaAs solar cells. Solar cells grown with GaInP window layers show significantly improved quantum efficiency compared with unpassivated cells, increasing the short-circuit current (J(SC)) of these low-cost devices. These results show the potential of low-cost HVPE for the growth of high-quality III-V devices.
C1 [Simon, John; Schulte, Kevin L.; Young, David L.; Haegel, Nancy M.; Ptak, Aaron J.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
RP Simon, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM john.simon@nrel.gov; kevin.schulte@nrel.gov; David.Young@nrel.gov;
nancy.haegel@nrel.go; aaron.ptak@nrel.gov
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory. The
U.S. Government retains and the publisher, by accepting the article for
publication, acknowledges that the U.S. Government retains a
nonexclusive, paid up, irrevocable, worldwide license to publish or
reproduce the published form of this work, or allow others to do so, for
U.S. Government purposes.
NR 17
TC 3
Z9 3
U1 5
U2 16
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 191
EP 195
DI 10.1109/JPHOTOV.2015.2501723
PG 5
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900027
ER
PT J
AU Cheng, DL
Mather, BA
Seguin, R
Hambrick, J
Broadwater, RP
AF Cheng, Danling
Mather, Barry A.
Seguin, Richard
Hambrick, Joshua
Broadwater, Robert P.
TI Photovoltaic (PV) Impact Assessment for Very High Penetration Levels
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Distributed power generation; photovoltaic (PV) systems; power system
simulation; PV impact assessment
AB This paper describes a granular approach for investigating the impacts of very high photovoltaic (PV) generation penetration. Studies on two real-world distribution feeders connected to PV plants are presented. The studies include both steady-state and time-series power flow analyses, which include the effects of solar variability. The goal of the study is to predict the effects of increasing levels of PV generation as it reaches very high penetration levels. The loss and return of generation with and without regulation is simulated to capture short-term problems such as voltage fluctuations. Impact results from the analyses are described along with potential mitigations.
C1 [Cheng, Danling; Seguin, Richard; Hambrick, Joshua] Elect Distribut Design Inc, Blacksburg, VA 24060 USA.
[Mather, Barry A.] Natl Renewable Energy Lab, Distributed Energy Syst Integrat Grp, Golden, CO 80401 USA.
[Hambrick, Joshua] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Broadwater, Robert P.] Virginia Tech, Dept Elect & Comp Engn, Blacksburg, VA 24061 USA.
RP Cheng, DL (reprint author), Elect Distribut Design Inc, Blacksburg, VA 24060 USA.
EM dcheng@vt.edu; barry.mather@nrel.gov; rich-seguin@edd-us.com;
joshua.hambrick@ge.com; dew@vt.edu
FU U.S. Department of Energy [DOE-EE0002061]; National Renewable Energy
Laboratory
FX This work was supported by the U.S. Department of Energy under Contract
DOE-EE0002061 with the National Renewable Energy Laboratory.
NR 19
TC 1
Z9 1
U1 0
U2 0
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 295
EP 300
DI 10.1109/JPHOTOV.2015.2481605
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900042
ER
PT J
AU Kuciauskas, D
Dippo, P
Zhao, Z
Cheng, L
Kanevce, A
Metzger, WK
Gloeckler, M
AF Kuciauskas, Darius
Dippo, Pat
Zhao, Zhibo
Cheng, Long
Kanevce, Ana
Metzger, Wyatt K.
Gloeckler, Markus
TI Recombination Analysis in Cadmium Telluride Photovoltaic Solar Cells
With Photoluminescence Spectroscopy
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Cadmium telluride; photovoltaic (PV) device; recombination;
time-resolved photoluminescence (TRPL)
ID CDTE THIN-FILM; CARRIER LIFETIME; TEMPERATURE; EFFICIENCY; CRYSTAL;
SURFACE
AB We used photoluminescence (PL) spectroscopy to study recombination in polycrystalline CdS/CdTe photovoltaic solar cells with open-circuit voltages in the range of 0.899-0.895 V. From PL emission spectra, we identified defects with an activation energy of 0.11-0.12 eV in the junction and back-contact regions. At < 100 K, lifetimes in devices were similar to those in single crystals and ranged from 300-400 ns. Strong lifetime temperature dependence at 100-300 K suggests the presence of a relatively shallow recombination center. Therefore, it is possible that in CdTe solar cells, lifetime is limited by relatively shallow defects.
C1 [Kuciauskas, Darius; Dippo, Pat; Kanevce, Ana; Metzger, Wyatt K.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[Zhao, Zhibo; Cheng, Long; Gloeckler, Markus] First Solar Inc, Perrysburg, OH 43551 USA.
RP Kuciauskas, D (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM darius.kuciauskas@nrel.gov; pat.dippo@nrel.gov; zzhao@firstsolar.com;
lcheng@firstsolar.com; ana.kanevce@nrel.gov; wy-att.metzger@nrel.gov;
Mgloeckler@firstsolar.com
FU U.S. Department of Energy [DE-AC36-08-GO28308]; National Renewable
Energy Laboratory (NREL); NREL-First Solar Cooperative Research and
Development Agreement
FX This work was supported by the U.S. Department of Energy under Contract
DE-AC36-08-GO28308 with the National Renewable Energy Laboratory (NREL)
and by NREL-First Solar Cooperative Research and Development Agreement.
NR 33
TC 3
Z9 3
U1 4
U2 22
PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC
PI PISCATAWAY
PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA
SN 2156-3381
J9 IEEE J PHOTOVOLT
JI IEEE J. Photovolt.
PD JAN
PY 2016
VL 6
IS 1
BP 313
EP 318
DI 10.1109/JPHOTOV.2015.2483366
PG 6
WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied
SC Energy & Fuels; Materials Science; Physics
GA CZ7AI
UT WOS:000367251900045
ER
PT J
AU Steiner, MA
Geisz, JF
Ward, JS
Garcia, I
Friedman, DJ
King, RR
Chiu, PT
France, RM
Duda, A
Olavarria, WJ
Young, M
Kurtz, SR
AF Steiner, Myles A.
Geisz, John F.
Ward, J. Scott
Garcia, Ivan
Friedman, Daniel J.
King, Richard R.
Chiu, Philip T.
France, Ryan M.
Duda, Anna
Olavarria, Waldo J.
Young, Michelle
Kurtz, Sarah R.
TI Optically Enhanced Photon Recycling in Mechanically Stacked
Multijunction Solar Cells
SO IEEE JOURNAL OF PHOTOVOLTAICS
LA English
DT Article
DE Luminescent coupling; mechanical stack; multijunction solar cell; photon
recycling; III-V solar cell
ID EFFICIENCY; LUMINESCENCE
AB Multijunction solar cells can be fabricated by mechanically bonding together component cells that are grown separately. Here, we present four-junction four-terminal mechanical stacks composed of GaInP/GaAs tandems grown on GaAs substrates and GaInAsP/GaInAs tandems grown on InP substrates. The component cells were bonded together with a low-index transparent epoxy that acts as an angularly selective reflector to the GaAs bandedge luminescence, while simultaneously transmitting nearly all of the subbandgap light. As determined by electroluminescence measurements and optical modeling, the GaAs subcell demonstrates a higher internal radiative limit and, thus, higher subcell voltage, compared with GaAs subcells without the epoxy reflector. The best cells demonstrate 38.8 +/- 1.0% efficiency under the global spectrum at 1000 W/m(2) and similar to 42% under the direct spectrum at similar to 100 suns. Eliminating the series resistance is the key challenge for further improving the concentrator cells.
C1 [Steiner, Myles A.; Geisz, John F.; Ward, J. Scott; Garcia, Ivan; Friedman, Daniel J.; France, Ryan M.; Duda, Anna; Olavarria, Waldo J.; Young, Michelle; Kurtz, Sarah R.] Natl Renewable Energy Lab, Golden, CO 80401 USA.
[King, Richard R.; Chiu, Philip T.] Boeing Spectrolab, Sylmar, CA 91342 USA.
RP Steiner, MA (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.
EM myles.steiner@nrel.gov; john.geisz@nrel.gov; scott.ward@nrel.gov;
igarcia@ies-def.upm.es; daniel.friedman@nrel.gov;
Richard.R.King@asu.edu; philip.t.chiu@boeing.com; ryan.france@nrel.gov;
anna.duda@nrel.gov; waldo.olavarria@nrel.gov; michelle.young@nrel.gov;
sarah.kurtz@nrel.gov
RI Garcia,