FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Harmon, B Bird, SW Schudel, BR Hatch, AV Rasley, A Negrete, OA AF Harmon, Brooke Bird, Sara W. Schudel, Benjamin R. Hatch, Anson V. Rasley, Amy Negrete, Oscar A. TI A Genome-Wide RNA Interference Screen Identifies a Role for Wnt/beta-Catenin Signaling during Rift Valley Fever Virus Infection SO JOURNAL OF VIROLOGY LA English DT Article ID MESSENGER-RNA; NSS PROTEIN; DOWN-REGULATION; X-PROTEIN; REPLICATION; CELLS; GENE; ASSAY; NUCLEOPROTEIN; TRANSCRIPTION AB Rift Valley fever virus (RVFV) is an arbovirus within the Bunyaviridae family capable of causing serious morbidity and mortality in humans and livestock. To identify host factors involved in bunyavirus replication, we employed genome-wide RNA interference (RNAi) screening and identified 381 genes whose knockdown reduced infection. The Wnt pathway was the most represented pathway when gene hits were functionally clustered. With further investigation, we found that RVFV infection activated Wnt signaling, was enhanced when Wnt signaling was preactivated, was reduced with knockdown of beta-catenin, and was blocked using Wnt signaling inhibitors. Similar results were found using distantly related bunyaviruses La Crosse virus and California encephalitis virus, suggesting a conserved role for Wnt signaling in bunyaviral infection. We propose a model where bunyaviruses activate Wnt-responsive genes to regulate optimal cell cycle conditions needed to promote efficient viral replication. The findings in this study should aid in the design of efficacious host-directed antiviral therapeutics. IMPORTANCE RVFV is a mosquito-borne bunyavirus that is endemic to Africa but has demonstrated a capacity for emergence in new territories (e.g., the Arabian Peninsula). As a zoonotic pathogen that primarily affects livestock, RVFV can also cause lethal hemorrhagic fever and encephalitis in humans. Currently, there are no treatments or fully licensed vaccines for this virus. Using high-throughput RNAi screening, we identified canonical Wnt signaling as an important host pathway regulating RVFV infection. The beneficial role of Wnt signaling was observed for RVFV, along with other disparate bunyaviruses, indicating a conserved bunyaviral replication mechanism involving Wnt signaling. These studies supplement our knowledge of the fundamental mechanisms of bunyavirus infection and provide new avenues for countermeasure development against pathogenic bunyaviruses. C1 [Harmon, Brooke; Bird, Sara W.; Schudel, Benjamin R.; Hatch, Anson V.; Negrete, Oscar A.] Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA 94551 USA. [Rasley, Amy] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA USA. RP Negrete, OA (reprint author), Sandia Natl Labs, Biotechnol & Bioengn Dept, Livermore, CA 94551 USA. EM onegret@sandia.gov FU Laboratory Directed Research and Development (LDRD); U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by Laboratory Directed Research and Development (LDRD) grants given to Oscar A. Negrete at Sandia National Laboratories (SNL). SNL 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. The funders had no role in study design, data collection and interpretation, or the decision to submit the work for publication. NR 60 TC 0 Z9 0 U1 8 U2 8 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0022-538X EI 1098-5514 J9 J VIROL JI J. Virol. PD AUG PY 2016 VL 90 IS 16 BP 7084 EP 7097 DI 10.1128/JVI.00543-16 PG 14 WC Virology SC Virology GA DU6EJ UT WOS:000382306500006 PM 27226375 ER PT J AU De Meyer, SE Briscoe, L Martinez-Hidalgo, P Agapakis, CM de-los Santos, PE Seshadri, R Reeve, W Weinstock, G O'Hara, G Howieson, JG Hirsch, AM AF De Meyer, Sofie E. Briscoe, Leah Martinez-Hidalgo, Pilar Agapakis, Christina M. Estrada de-los Santos, Paulina Seshadri, Rekha Reeve, Wayne Weinstock, George O'Hara, Graham Howieson, John G. Hirsch, Ann M. TI Symbiotic Burkholderia Species Show Diverse Arrangements of nif/fix and nod Genes and Lack Typical High-Affinity Cytochrome cbb3 Oxidase Genes SO MOLECULAR PLANT-MICROBE INTERACTIONS LA English DT Article ID PUDICA RHIZOBIAL SYMBIONTS; AMBIGUA ROOT-NODULES; SP-NOV.; NITROGEN-FIXATION; MIMOSA SPP.; LEBECKIA-AMBIGUA; RALSTONIA-TAIWANENSIS; BETA-PROTEOBACTERIUM; ELECTRON-TRANSFER; GENOME SEQUENCES AB Genome analysis of fourteen mimosoid and four papilionoid beta-rhizobia together with fourteen reference alpha-rhizobia for both nodulation (nod) and nitrogen-fixing (nif/fix) genes has shown phylogenetic congruence between 16S rRNA/MLSA (combined 16S rRNA gene sequencing and multilocus sequence analysis) and nif/fix genes, indicating a free-living diazotrophic ancestry of the beta-rhizobia. However, deeper genomic analysis revealed a complex symbiosis acquisition history in the betarhizobia that clearly separates the mimosoid and papilionoid nodulating groups. Mimosoid-nodulating beta-rhizobia have nod genes tightly clustered in the nodBCIJHASU operon, whereas papilionoid-nodulating Burkholderia have nodUSDABC and nodlJ genes, although their arrangement is not canonical because the nod genes are subdivided by the insertion of nif and other genes. Furthermore, the papilionoid Burkholderia spp. contain duplications of several nod and nif genes. The Burkholderia nifHDKEN and fixABC genes are very closely related to those found in free-living diazotrophs. In contrast, nifA is highly divergent between both groups, but the papilionoid species nifA is more similar to alpha-rhizobia nifA than to other groups. Surprisingly, for all Burkholderia, the fixNOQP and fixGHIS genes required for cbb3 cytochrome oxidase production and assembly are missing. In contrast, symbiotic Cupriavidus strains have f1xN0QPGHIS genes, revealing a divergence in the evolution of two distinct electron transport chains required for nitrogen fixation within the beta-rhizobia. C1 [De Meyer, Sofie E.; Reeve, Wayne; O'Hara, Graham; Howieson, John G.] Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia. [Briscoe, Leah; Martinez-Hidalgo, Pilar; Agapakis, Christina M.; Hirsch, Ann M.] Univ Calif Los Angeles, Dept Mol Cell & Dev Biol, Los Angeles, CA USA. [Estrada de-los Santos, Paulina] Inst Politecn Nacl, Escuela Nacl Ciencias Biol, Prol Carpio & Plan de Ayala S-N, Col Santo Tomas 11340, Del Miguel Hida, Mexico. [Seshadri, Rekha] DOE Joint Genome Inst, Walnut Creek, CA USA. [Weinstock, George] Jackson Lab Genom Med, Farmington, CT USA. [Hirsch, Ann M.] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90024 USA. RP De Meyer, SE (reprint author), Murdoch Univ, Ctr Rhizobium Studies, Murdoch, WA 6150, Australia. EM sofdemey@outlook.com OI De Meyer, Sofie/0000-0003-3555-7346 FU GEBA-RNB project; National Science Foundation (NSF) [IOB-0537497]; NSF [IOS-1201735]; Shanbrom Family Foundation; Meat and Livestock Australia/Australian Wool Innovations [BPSP0013]; Australian Research Council [LP150100848]; "Fundacion Ramon Areces" (Spain); L'Oreal USA For Women in Science Fellowship; United States Department of Energy Joint Genome Institute, a Department of Energy Office of Science User Facility [DE-AC02-05CH11231] FX The authors thank A. Willems (BCCM/LMG, University of Gent, Belgium), E. Fabiano (IIBCE, Uruguay), L. Moulin (Institut de Recherche pour le Developpement and Laboratory of Tropical and Mediterranean Symbioses, Montpellier, France), M. Parker (State University of New York), and J. P. Young (University of York, U.K.) for their participation in the GEBA-RNB project. Gratitude is also extended to people who donated strains: S.M. de Faria (Embrapa, Brasilia, Brazil), and the late J. Caballero-Mellado, and also the people who manually annotated the B. tuberum STM678T and free-living Burkholderia genomes: S. Yerrapragada (Baylor College of Medicine, Houston, TX, U.S.A.), S. Kano (UCLA, Los Angeles, CA, U.S.A.), N. Song (UCLA), and P. Yang (UCLA). L. Perin and V.M. Reis (Embrapa, Brazil), and F. D. Dakora (Tshwane University, Pretoria, South Africa) are thanked for helpful information regarding B. silvatlantica SRMrh20T and B. tuberum STM678T, respectively. We are grateful to E. Veliz for his comments on the figures. Special thanks to N. Kyrpides (JGI) for facilitating and supporting the GEBA-RNB project from W. Reeve (CRS Australia, Victoria). This research was supported in part by National Science Foundation (NSF) IOB-0537497 to G. Weinstock and A. M. Hirsch as well as NSF IOS-1201735 and a Shanbrom Family Foundation grant to A. M. Hirsch and, also, by Meat and Livestock Australia/Australian Wool Innovations BPSP0013 to J. Howieson and Australian Research Council LP150100848 to S. De Meyer. Additional funding came from a postdoctoral fellowship awarded to P. Martinez-Hidalgo from "Fundacion Ramon Areces" (Spain) and from a L'Oreal USA For Women in Science Fellowship to C. M. Agapaka. The genomics work was performed through the IMG Expert Review website of the United States Department of Energy Joint Genome Institute, a Department of Energy Office of Science User Facility, which is supported under contract number DE-AC02-05CH11231. NR 69 TC 1 Z9 1 U1 2 U2 4 PU AMER PHYTOPATHOLOGICAL SOC PI ST PAUL PA 3340 PILOT KNOB ROAD, ST PAUL, MN 55121 USA SN 0894-0282 EI 1943-7706 J9 MOL PLANT MICROBE IN JI Mol. Plant-Microbe Interact. PD AUG PY 2016 VL 29 IS 8 BP 609 EP 619 DI 10.1094/MPMI-05-16-0091-R PG 11 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Plant Sciences SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Plant Sciences GA DU1HS UT WOS:000381959400003 PM 27269511 ER PT J AU McDowell, DL LeSar, RA AF McDowell, David L. LeSar, Richard A. TI The need for microstructure informatics in process-structure-property relations SO MRS BULLETIN LA English DT Editorial Material DE microstructure; defects ID UNCERTAINTY QUANTIFICATION; PLASTICITY; SCIENCE; SCALE; MODEL; DEFORMATION; SIMULATIONS; ATOMISTICS; MECHANICS; EVOLUTION AB Spatial hierarchy of microstructure is a defining characteristic of many practical materials systems. Elements of this hierarchy are often realized through nonequilibrium synthesis and process routes, leading to metastable structures that confer specific functionality and enhanced performance. The key to accelerating understanding and developing new and improved materials lies in quantifying microstructure in an unambiguous digital format, employing both physical models and data science methods to explore cause-and-effect relations between structure and properties and relations between composition-dependent process path history and hierarchical microstructure. Given the current state of predictive multiscale modeling, the uncertainties are simply too high to provide necessary decision support in isolation from experiments. Hence, combining experiments and computational modeling with materials data science and informatics provides the only practical path forward in replacing the historical paradigm of empirical materials development. The articles in this issue focus on microstructure informatics, which is relatively less well explored than the use of first-principles combinatorial methods applied to search the space of stable compounds, small molecules, and interface structures. C1 [McDowell, David L.] Georgia Inst Technol, Inst Materials, Atlanta, GA 30332 USA. [LeSar, Richard A.] Iowa State Univ, Mat Sci, Ames, IA 50011 USA. [LeSar, Richard A.] Los Alamos Natl Lab, Los Alamos, NM USA. RP McDowell, DL (reprint author), Georgia Inst Technol, Inst Materials, Atlanta, GA 30332 USA. EM david.mcdowell@me.gatech.edu NR 40 TC 1 Z9 1 U1 3 U2 4 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 AUG PY 2016 VL 41 IS 8 BP 587 EP 593 DI 10.1557/mrs.2016.163 PG 7 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DU9AM UT WOS:000382508600005 ER PT J AU Wang, MX Carver, JJ Phelan, VV Sanchez, LM Garg, N Peng, Y Nguyen, DD Watrous, J Kapono, CA Luzzatto-Knaan, T Porto, C Bouslimani, A Melnik, AV Meehan, MJ Liu, WT Criisemann, M Boudreau, PD Esquenazi, E Sandoval-Calderon, M Kersten, RD Pace, LA Quinn, RA Duncan, KR Hsu, CC Floros, DJ Gavilan, RG Kleigrewe, K Northen, T Dutton, RJ Parrot, D Carlson, EE Aigle, B Michelsen, CF Jelsbak, L Sohlenkamp, C Pevzner, P Edlund, A McLean, J Piel, J Murphy, BT Gerwick, L Liaw, CC Yang, YL Humpf, HU Maansson, M Keyzers, RA Sims, AC Johnson, AR Sidebottom, AM Sedio, BE Klitgaard, A Larson, CB Boya, CA Torres-Mendoza, D Gonzalez, DJ Silva, DB Marques, LM Demarque, DP Pociute, E O'Neill, EC Briand, E Helfrich, EJN Granatosky, EA Glukhov, E Ryffel, F Houson, H Mohimani, H Kharbush, JJ Zeng, Y Vorholt, JA Kurita, KL Charusanti, P McPhail, KL Nielsen, KF Vuong, L Elfeki, M Traxler, MF Engene, N Koyama, N Vining, OB Baric, R Silva, RR Mascuch, SJ Tomasi, S Jenkins, S Macherla, V Hoffman, T Agarwal, V Williams, PG Dai, JQ Neupane, R Gurr, J Rodriguez, AMC Lamsa, A Zhang, C Dorrestein, K Duggan, BM Almaliti, J Allard, PM Phapale, P Nothias, LF Alexandrovr, T Litaudon, M Wolfender, JL Kyle, JE Metz, TO Peryea, T Nguyen, DT VanLeer, D Shinn, P Jadhav, A Muller, R Waters, KM Shi, WY Liu, XT Zhang, LX Knight, R Jensen, PR Palsson, BO Pogliano, K Linington, RG Gutierrez, M Lopes, NP Gerwick, WH Moore, BS Dorrestein, PC Bandeira, N AF Wang, Mingxun Carver, Jeremy J. Phelan, Vanessa V. Sanchez, Laura M. Garg, Neha Peng, Yao Don Duy Nguyen Watrous, Jeramie Kapono, Clifford A. Luzzatto-Knaan, Tal Porto, Carla Bouslimani, Amina Melnik, Alexey V. Meehan, Michael J. Liu, Wei -Ting Criisemann, Max Boudreau, Paul D. Esquenazi, Eduardo Sandoval-Calderon, Mario Kersten, Roland D. Pace, Laura A. Quinn, Robert A. Duncan, Katherine R. Hsu, Cheng-Chih Floros, Dimitrios J. Gavilan, Ronnie G. Kleigrewe, Karin Northen, Trent Dutton, Rachel J. Parrot, Delphine Carlson, Erin E. Aigle, Bertrand Michelsen, Charlotte F. Jelsbak, Lars Sohlenkamp, Christian Pevzner, Pavel Edlund, Anna McLean, Jeffrey Piel, Jorn Murphy, Brian T. Gerwick, Lena Liaw, Chih-Chuang Yang, Yu-Liang Humpf, Hans-Ulrich Maansson, Maria Keyzers, Robert A. Sims, Amy C. Johnson, Andrew R. Sidebottom, Ashley M. Sedio, Brian E. Klitgaard, Andreas Larson, Charles B. Boya P, Cristopher A. Torres-Mendoza, Daniel Gonzalez, David J. Silva, Denise B. Marques, Lucas M. Demarque, Daniel P. Pociute, Egle O'Neill, Ellis C. Briand, Enora Helfrich, Eric J. N. Granatosky, Eve A. Glukhov, Evgenia Ryffel, Florian Houson, Hailey Mohimani, Hosein Kharbush, Jenan J. Zeng, Yi Vorholt, Julia A. Kurita, Kenji L. Charusanti, Pep McPhail, Kerry L. Nielsen, Kristian Fog Vuong, Lisa Elfeki, Maryam Traxler, Matthew F. Engene, Niclas Koyama, Nobuhiro Vining, Oliver B. Baric, Ralph Silva, Ricardo R. Mascuch, Samantha J. Tomasi, Sophie Jenkins, Stefan Macherla, Venkat Hoffman, Thomas Agarwal, Vinayak Williams, Philip G. Dai, Jingqui Neupane, Ram Gurr, Joshua Rodriguez, Andres M. C. Lamsa, Anne Zhang, Chen Dorrestein, Kathleen Duggan, Brendan M. Almaliti, Jehad Allard, Pierre-Marie Phapale, Prasad Nothias, Louis-Felix Alexandrovr, Theodore Litaudon, Marc Wolfender, Jean-Luc Kyle, Jennifer E. Metz, Thomas O. Peryea, Tyler Dac-Trung Nguyen VanLeer, Danielle Shinn, Paul Jadhav, Ajit Muller, Rolf Waters, Katrina M. Shi, Wenyuan Liu, Xueting Zhang, Lixin Knight, Rob Jensen, Paul R. Palsson, Bernhard O. Pogliano, Kit Linington, Roger G. Gutierrez, Marcelino Lopes, Norberto P. Gerwick, William H. Moore, Bradley S. Dorrestein, Pieter C. Bandeira, Nuno TI Sharing and community curation of mass spectrometry data with Global Natural Products Social Molecular Networking SO NATURE BIOTECHNOLOGY LA English DT Article ID SPECTRAL DATABASE; GENE-CLUSTER; GENOME; DEREPLICATION; METABOLOMICS; IDENTIFICATION; TECHNOLOGIES; REPOSITORY; DISCOVERY; RESOURCE AB The potential of the diverse chemistries present in natural products (NP) for biotechnology and medicine remains untapped because NP databases are not searchable with raw data and the NP community has no way to share data other than in published papers. Although mass spectrometry (MS) techniques are well-suited to high-throughput characterization of NP, there is a pressing need for an infrastructure to enable sharing and curation of data. We present Global Natural Products Social Molecular Networking (GNPS; http://gnps.ucsd.edu), an open-access knowledge base for community-wide organization and sharing of raw, processed or identified tandem mass (MS/MS) spectrometry data. In GNPS, crowdsourced curation of freely available community-wide reference MS libraries will underpin improved annotations. Data-driven social-networking should facilitate identification of spectra and foster collaborations. We also introduce the concept of 'living data' through continuous reanalysis of deposited data. C1 [Wang, Mingxun; Carver, Jeremy J.; Pevzner, Pavel] Univ Calif San Diego, Comp Sci & Engn, La Jolla, CA 92093 USA. [Wang, Mingxun; Carver, Jeremy J.; Pevzner, Pavel; Mohimani, Hosein; Bandeira, Nuno] Univ Calif San Diego, Ctr Computat Mass Spectrometry, La Jolla, CA USA. [Phelan, Vanessa V.; Sanchez, Laura M.; Garg, Neha; Watrous, Jeramie; Luzzatto-Knaan, Tal; Porto, Carla; Bouslimani, Amina; Melnik, Alexey V.; Meehan, Michael J.; Pace, Laura A.; Gonzalez, David J.; Koyama, Nobuhiro; Dorrestein, Kathleen; Duggan, Brendan M.; Almaliti, Jehad; Gerwick, William H.; Moore, Bradley S.; Dorrestein, Pieter C.; Bandeira, Nuno] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, Collaborat Mass Spectrometry Innovat Ctr, La Jolla, CA USA. [Peng, Yao; Don Duy Nguyen; Kapono, Clifford A.; Hsu, Cheng-Chih; Floros, Dimitrios J.; Zeng, Yi] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA USA. [Liu, Wei -Ting] Stanford Univ, Dept Microbiol & Immunol, Palo Alto, CA 94304 USA. [Criisemann, Max; Boudreau, Paul D.; Duncan, Katherine R.; Kleigrewe, Karin; Gerwick, Lena; Larson, Charles B.; O'Neill, Ellis C.; Briand, Enora; Glukhov, Evgenia; Kharbush, Jenan J.; Mascuch, Samantha J.; Jensen, Paul R.; Gerwick, William H.; Moore, Bradley S.; Dorrestein, Pieter C.] Univ Calif San Diego, Scripps Inst Oceanog, Ctr Marine Biotechnol & Biomed, La Jolla, CA USA. [Esquenazi, Eduardo; Pociute, Egle; Houson, Hailey; Vuong, Lisa; Macherla, Venkat] Sirenas Marine Discovery, San Diego, CA USA. [Sandoval-Calderon, Mario; Sohlenkamp, Christian] Univ Nacl Autonoma Mexico, Ctr Ciencias Genom, Cuernavaca, Morelos, Mexico. [Kersten, Roland D.] Salk Inst Biol Studies, La Jolla, CA USA. [Quinn, Robert A.] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Duncan, Katherine R.] Scottish Marine Inst, Scottish Assoc Marine Sci, Oban, Argyll, Scotland. [Gavilan, Ronnie G.; Sedio, Brian E.; Boya P, Cristopher A.; Torres-Mendoza, Daniel; Gutierrez, Marcelino] INDICASAT, Ctr Drug Discovery & Biodivers, City Of Knowledge, Panama. [Northen, Trent; Jenkins, Stefan] Lawrence Berkeley Natl Lab, Genome Dynam, Berkeley, CA USA. [Dutton, Rachel J.] Harvard, FAS Ctr Syst Biol, Cambridge, MA USA. [Parrot, Delphine; Tomasi, Sophie] Univ Rennes 1, Prod Nat Synth Chim Med, Rennes, France. [Carlson, Erin E.] Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. [Aigle, Bertrand] Univ Lorraine, Dynam Genomes & Adaptat Microbienne, Vandoeuvre Les Nancy, France. [Michelsen, Charlotte F.; Jelsbak, Lars; Maansson, Maria; Klitgaard, Andreas; Nielsen, Kristian Fog] Tech Univ Denmark, Dept Syst Biol, Lyngby, Denmark. [Edlund, Anna] J Craig Venter Inst, Microbial & Environm Genom, La Jolla, CA USA. [Edlund, Anna; McLean, Jeffrey; Shi, Wenyuan] UC Los Angeles, Sch Dent, Los Angeles, CA USA. [McLean, Jeffrey] Univ Washington, Dept Periodont, Seattle, WA 98195 USA. [Piel, Jorn; Helfrich, Eric J. N.; Ryffel, Florian; Vorholt, Julia A.] Swiss Fed Inst Technol, Inst Microbiol, Zurich, Switzerland. [Murphy, Brian T.; Elfeki, Maryam] Univ Illinois, Dept Med Chem & Pharmacognosy, Chicago, IL USA. [Liaw, Chih-Chuang] Natl Sun Yat Sen Univ, Dept Marine Biotechnol & Resources, Kaohsiung, Taiwan. [Yang, Yu-Liang] Acad Sinica, Agr Biotechnol Res Ctr, Taipei, Taiwan. [Humpf, Hans-Ulrich] Univ Munster, Inst Food Chem, Munster, Germany. [Keyzers, Robert A.] Victoria Univ Wellington, Sch Chem & Phys Sci, Wellington, New Zealand. [Keyzers, Robert A.] Victoria Univ Wellington, Ctr Biodiscovery, Wellington, New Zealand. [Sims, Amy C.; Baric, Ralph] Univ North Carolina Chapel Hill, Dept Epidemiol, Gillings Sch Global Publ Hlth, Chapel Hill, NC USA. [Johnson, Andrew R.; Sidebottom, Ashley M.] Indiana Univ, Dept Chem, Bloomington, IN USA. [Sedio, Brian E.] Smithsonian Trop Res Inst, Ancon, Panama. [Larson, Charles B.; Gonzalez, David J.; Dorrestein, Pieter C.; Bandeira, Nuno] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA USA. [Silva, Denise B.; Marques, Lucas M.; Demarque, Daniel P.; Silva, Ricardo R.; Rodriguez, Andres M. C.; Lopes, Norberto P.] Univ Sao Paulo, Sch Pharmaceut Sci Ribeirao Preto, Sao Paulo, Brazil. [Silva, Denise B.] Univ Fed Mato Grosso do Sul, Ctr Ciencias Biol & Saude, Campo Grande, Brazil. [Briand, Enora] Univ Rennes 1, CNRS, UMR 6553, ECOBIO, Rennes, France. [Granatosky, Eve A.] Univ Notre Dame, Dept Chem & Biochem, Notre Dame, IN 46556 USA. [Kurita, Kenji L.; Linington, Roger G.] UC Santa Cruz, PBSci Chem & Biochem Dept, Santa Cruz, CA USA. [Charusanti, Pep; Palsson, Bernhard O.] Univ Calif San Diego, Dept Bioengn, La Jolla, CA USA. [McPhail, Kerry L.; Vining, Oliver B.] Oregon State Univ, Coll Pharm, Dept Pharmaceut Sci, Corvallis, OR 97331 USA. [Traxler, Matthew F.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA USA. [Engene, Niclas] Florida Int Univ, Dept Biol Sci, Miami, FL 33199 USA. [Hoffman, Thomas; Muller, Rolf] Helmholtz Inst Pharmaceut Res Saarland, Dept Pharmaceut Biotechnol, Saarbrucken, Germany. [Agarwal, Vinayak; Moore, Bradley S.] Univ Calif San Diego, Scripps Inst Oceanog, Ctr Oceans & Human Hlth, La Jolla, CA USA. [Williams, Philip G.; Dai, Jingqui; Neupane, Ram; Gurr, Joshua] Univ Hawaii Manoa, Dept Chem, Honolulu, HI 96822 USA. [Lamsa, Anne; Pogliano, Kit] Univ Calif San Diego, Div Biol Sci, La Jolla, CA USA. [Zhang, Chen] Univ Calif San Diego, Dept Nanoengn, La Jolla, CA USA. [Allard, Pierre-Marie; Wolfender, Jean-Luc] Univ Geneva, Sch Pharmaceut Sci, Geneva, Switzerland. [Phapale, Prasad; Alexandrovr, Theodore] European Mol Biol Lab, Struct & Computat Biol, Heidelberg, Germany. [Nothias, Louis-Felix; Litaudon, Marc] Univ Paris Saclay, Labex CEBA, ICSN, CNRS,UPR 2301, Gif Sur Yvette, France. [Kyle, Jennifer E.; Metz, Thomas O.; Waters, Katrina M.] Pacific NW Natl Lab, Biol Sci, Richland, WA 99352 USA. [Peryea, Tyler; Dac-Trung Nguyen; VanLeer, Danielle; Shinn, Paul; Jadhav, Ajit] NIH, Natl Ctr Adv Translat Sci, Rockville, MD USA. [Liu, Xueting] Chinese Acad Sci, Inst Microbiol, Beijing, Peoples R China. [Knight, Rob] Univ Calif San Diego, Dept Pediat, La Jolla, CA USA. RP Bandeira, N (reprint author), Univ Calif San Diego, Ctr Computat Mass Spectrometry, La Jolla, CA USA.; Dorrestein, PC; Bandeira, N (reprint author), Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, Collaborat Mass Spectrometry Innovat Ctr, La Jolla, CA USA.; Dorrestein, PC (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, Ctr Marine Biotechnol & Biomed, La Jolla, CA USA.; Dorrestein, PC; Bandeira, N (reprint author), Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA USA. EM pdorrestein@ucsd.edu; bandeira@ucsd.edu RI Nielsen, Kristian/C-7233-2011; Vorholt, Julia/K-3514-2016; Porto, Carla/D-6888-2013; Demarque, Daniel/K-7325-2014; Briand, Enora/P-6074-2016; almaliti, jehad/R-7507-2016; Muller, Rolf/B-1559-2008; O'Neill, Ellis/N-3805-2014; OI Nielsen, Kristian/0000-0002-5848-0911; Porto, Carla/0000-0001-8331-2760; Demarque, Daniel/0000-0002-3576-5148; Briand, Enora/0000-0001-8996-0072; almaliti, jehad/0000-0002-3562-0846; Muller, Rolf/0000-0002-1042-5665; O'Neill, Ellis/0000-0002-5941-2806; Torres-Mendoza, Daniel/0000-0002-3540-4238; Duncan, Katherine R./0000-0002-3670-4849; Klitgaard, Andreas/0000-0002-2533-570X; Phelan, Vanessa/0000-0001-7156-9294; Northen, Trent/0000-0001-8404-3259; PHAPALE, PRASAD/0000-0002-9487-597X; Keyzers, Rob/0000-0002-7658-7421 FU US National Institutes of Health (NIH) [5P41GM103484-07, GM094802, AI095125, GM097509, S10RR029121, UL1RR031980, GM085770, U01TW0007401, U01AI12316-01]; National Institute of Allergy and Infectious Diseases (NIAID), NIH; Department of Health and Human Services [HHSN272200800060C]; NIH [K01 GM103809, T32 GM075762, K99DE024543, 1F32GM089044, 5R21AI085540, U01TW006634-06]; NIH IRACDA [K12 GM068524]; United States-Israel Binational Agricultural Research and Development Fund Vaadia-BARD [FI-494-13]; Science without Borders Program from CNPq; Sao Paulo Research Foundation (FAPESP) [2014/01651-8, 2012/18031-7]; German Academic Exchange Service (DAAD); Deutsche Forschungsgemeinschaft (D.F.G.); Marie Curie IOF Fellowship within the 7th European Community Framework Program (FP7-PEOPLE-IOF) [301244-CYANOMIC]; Ministry of Science and Technology of Taiwan [MOST103-2628-B-110-001-MY3]; Novo Nordisk Foundation; National Program on Key Basic Research Project [2013BC734000]; National Natural Science Foundation of China [81102369, 31125002]; INSA grant, Rennes; FAPESP [2012/18031-7, 2014/01884-2, 2014/18052-0, 2013/16496-5, 2014/50265-3]; CAPES/PNPD; CNPq-INCT_if; Notre Dame Chemistry-Biochemistry-Biology Interface (CBBI) program; National Institutes of Health [1R01DE023810-01, 1R01GM095373]; Villum Foundation [VKR023113]; Augustinus Foundation [13-4656]; Aase & Ejnar Danielsens Foundation [10-001120]; UC MEXUS-CONACYT Collaborative Grant [CN-12-552]; NSF [DEB 1010816]; Smithsonian Institution Grand Challenges Award; DFG (Forschergruppe 854); SNF [IZLSZ3_149025]; Danish Council for Independent Research, Technology, and Production Sciences [09-064967]; Agilent Thought Leader Program; NIH/NIAID [U19-AI106772]; Department of Defense [W81XWH-13-1-0171]; Oregon Sea Grant [NA10OAR4170059/R/BT-48]; NSF; Research Corporation for Science Advancement (Cottrell Scholar Award); Indiana University Quantitative Chemical Biology trainee fellowship; Danish Research Council for Technology and Production Science; Sapere Aude [116262]; FNS [200020_146200]; [CNPq-PQ 480 306385/2011-2] FX This work was partially supported by US National Institutes of Health (NIH) grants 5P41GM103484-07, GM094802, AI095125, GM097509, S10RR029121, UL1RR031980, GM085770, U01TW0007401, and U01AI12316-01; N.B. was also partially supported as an Alfred P. Sloan Fellow. In addition, this work was supported by the National Institute of Allergy and Infectious Diseases (NIAID), NIH, and the Department of Health and Human Services, under Contract Number HHSN272200800060C. V.V.P. is supported by the NIH grant K01 GM103809. L.M.S. is supported by NIH IRACDA K12 GM068524 award. T.L.-K. is supported by the United States-Israel Binational Agricultural Research and Development Fund Vaadia-BARD No. FI-494-13. C.P. is supported by Science without Borders Program from CNPq. A.M.C.R. is supported by Sao Paulo Research Foundation (FAPESP) grant#2014/01651-8, 2012/18031-7. K.K. was supported by a fellowship within the Postdoc-Programme of the German Academic Exchange Service (DAAD). M.C. was supported by a Deutsche Forschungsgemeinschaft (D.F.G.) postdoctoral fellowship. E.B. is supported by a Marie Curie IOF Fellowship within the 7th European Community Framework Program (FP7-PEOPLE-2011-IOF, grant number 301244-CYANOMIC). C.-C.L. was supported by a grant from the Ministry of Science and Technology of Taiwan (MOST103-2628-B-110-001-MY3). P.C. and B.O.P. were supported by the Novo Nordisk Foundation. Lixin Zhang and Xueting Liu are supported by the National Program on Key Basic Research Project (2013BC734000) and the National Natural Science Foundation of China (81102369 and 31125002). D.P. is supported by an INSA grant, Rennes. R.R.S. is supported by FAPESP grant#2014/01884-2. D.P.D. is supported by FAPESP grant#2014/18052-0. L.M.M. is supported by FAPESP grant#2013/16496-5. D.B.S. is supported by FAPESP grant#2012/18031-7. N.P.L. is supported by FAPESP(2014/50265-3), CAPES/PNPD, CNPq-PQ 480 306385/2011-2, and CNPq-INCT_if. E.A.G. is supported by the Notre Dame Chemistry-Biochemistry-Biology Interface (CBBI) program and NIH T32 GM075762. W.S. and J.S.M. are supported by grants from the National Institutes of Health 1R01DE023810-01 and 1R01GM095373. A.E. is supported by a grant from the NIH K99DE024543. C.F.M. and L.J. are supported by the Villum Foundation VKR023113, the Augustinus Foundation 13-4656, and the Aase & Ejnar Danielsens Foundation 10-001120. M.S.-C. was supported by UC MEXUS-CONACYT Collaborative Grant CN-12-552. M.F.T. was supported by NIH grant 1F32GM089044. Contributions by B.E.S. were supported by NSF grant DEB 1010816 and a Smithsonian Institution Grand Challenges Award. E.J.N.H. and J.P. are supported by the DFG (Forschergruppe 854) and by SNF grant IZLSZ3_149025. K.F.N. and A.K. are supported by the Danish Council for Independent Research, Technology, and Production Sciences (09-064967) and the Agilent Thought Leader Program. A.C.S. and R.S.B. were supported by NIH/NIAID U19-AI106772. B.T.M. and M.E. were supported under Department of Defense grant #W81XWH-13-1-0171. Contributions by O.B.V. and K.L.M. were supported by Oregon Sea Grant NA10OAR4170059/R/BT-48, NIH 5R21AI085540, and U01TW006634-06. E.E.C., A.M.S., and A.R.J. were supported by an NSF CAREER Award, a Pew Biomedical Scholar Award (E.E.C.), a Sloan Research Fellow Award (E.E.C.), the Research Corporation for Science Advancement (Cottrell Scholar Award; E.E.C.) and an Indiana University Quantitative Chemical Biology trainee fellowship (A.R.J.). M.M. was supported by the Danish Research Council for Technology and Production Science with Sapere Aude (116262). P.-M. A.; was supported by FNS for fellowship on Subside (200020_146200). We thank V. Paul, R. Taylor, L. Aluwihare, F. Rohwer, B. Pullman, J. Fang, M. Overgaard, M. Katze, R.D. Smith, S.K. Mazmanian, W. Fenical, E. Macagno, X. He, and C. Neubauer for feedback and support for their laboratory personnel to contribute to the work. We thank B. Gust and co-workers at the University of Tuebingen for assisting us to obtain Streptomyces sp. DSM5940. NR 54 TC 26 Z9 26 U1 37 U2 50 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1087-0156 EI 1546-1696 J9 NAT BIOTECHNOL JI Nat. Biotechnol. PD AUG PY 2016 VL 34 IS 8 BP 828 EP 837 DI 10.1038/nbt.3597 PG 10 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA DT2VJ UT WOS:000381339600019 PM 27504778 ER PT J AU Deshmukh, SA Solomon, LA Kamath, G Fry, HC Sankaranarayanan, SKRS AF Deshmukh, Sanket A. Solomon, Lee A. Kamath, Ganesh Fry, H. Christopher Sankaranarayanan, Subramanian K. R. S. TI Water ordering controls the dynamic equilibrium of micelle-fibre formation in self-assembly of peptide amphiphiles SO NATURE COMMUNICATIONS LA English DT Article ID MOLECULAR-DYNAMICS; CONFORMATIONAL TRANSITIONS; INFRARED-SPECTRA; PROTEIN; NANOFIBERS; NANOSTRUCTURES; SIMULATIONS; AGGREGATION; TEMPERATURE; MECHANISM AB Understanding the role of water in governing the kinetics of the self-assembly processes of amphiphilic peptides remains elusive. Here, we use a multistage atomistic-coarse-grained approach, complemented by circular dichroism/infrared spectroscopy and dynamic light scattering experiments to highlight the dual nature of water in driving the self-assembly of peptide amphiphiles (PAs). We show computationally that water cage formation and breakage near the hydrophobic groups control the fusion dynamics and aggregation of PAs in the micellar stage. Simulations also suggest that enhanced structural ordering of vicinal water near the hydrophilic amino acids shifts the equilibrium towards the fibre phase and stimulates structure and order during the PA assembly into nanofibres. Experiments validate our simulation findings; the measured infrared O-H bond stretching frequency is reminiscent of an ice-like bond which suggests that the solvated water becomes increasingly ordered with time in the assembled peptide network, thus shedding light on the role of water in a self-assembly process. C1 [Deshmukh, Sanket A.; Solomon, Lee A.; Fry, H. Christopher; Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Materials, Lemont, IL 60439 USA. [Kamath, Ganesh] Univ Missouri Columbia, Dept Chem, Columbia, MO 65211 USA. RP Deshmukh, SA; Fry, HC; Sankaranarayanan, SKRS (reprint author), Argonne Natl Lab, Ctr Nanoscale Materials, Lemont, IL 60439 USA. EM sanket@anl.gov; hfry@anl.gov; skrssank@anl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Science of the U.S. Department of Energy [DE-AC02-06CH11357, DE-AC02-05CH11231] FX Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. This 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. NR 60 TC 1 Z9 1 U1 28 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 AUG PY 2016 VL 7 AR 12367 DI 10.1038/ncomms12367 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DU8GT UT WOS:000382452000001 PM 27554944 ER PT J AU Fei, Z Scott, ME Gosztola, DJ Foley, JJ Yan, J Mandrus, DG Wen, H Zhou, P Zhang, DW Sun, Y Guest, JR Gray, SK Bao, W Wiederrecht, GP Xu, X AF Fei, Z. Scott, M. E. Gosztola, D. J. Foley, J. J. Yan, J. Mandrus, D. G. Wen, H. Zhou, P. Zhang, D. W. Sun, Y. Guest, J. R. Gray, S. K. Bao, W. Wiederrecht, G. P. Xu, X. TI Nano-optical imaging of WSe2 waveguide modes revealing light-exciton interactions SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION-METAL DICHALCOGENIDES; FEW-LAYER MOS2; MONOLAYER MOS2; VALLEY POLARIZATION; MONO LAYER; NEAR-FIELD; SEMICONDUCTOR; PHOTOLUMINESCENCE; HETEROSTRUCTURES; DISULFIDE AB We report on a nano-optical imaging study of WSe2 thin flakes with scanning near-field optical microscopy (NSOM). The NSOM technique allows us to visualize in real space various waveguide photon modes inside WSe2. By tuning the excitation laser energy, we are able to map the entire dispersion of these waveguide modes both above and below the A exciton energy of WSe2. We found that all the modes interact strongly with WSe2 excitons. The outcome of the interaction is that the observed waveguide modes shift to higher momenta right below the A exciton energy. At higher energies, on the other hand, these modes are strongly damped due to adjacent B excitons or band-edge absorptions. The mode-shifting phenomena are consistent with polariton formation in WSe2. C1 [Fei, Z.; Gosztola, D. J.; Foley, J. J.; Sun, Y.; Guest, J. R.; Gray, S. K.; Wiederrecht, G. P.] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA. [Fei, Z.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Scott, M. E.; Xu, X.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Foley, J. J.] William Paterson Univ, Dept Chem, Wayne, NJ 07470 USA. [Yan, J.; Mandrus, D. G.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Yan, J.; Mandrus, D. G.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Wen, H.] Argonne Natl Lab, Adv Photon Source, Lemont, IL 60439 USA. [Zhou, P.; Zhang, D. W.; Bao, W.] Fudan Univ, Dept Microelect, State Key Lab ASIC & Syst, Shanghai 200433, Peoples R China. [Xu, X.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Fei, Z (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL 60439 USA.; Fei, Z (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM zfei@iastate.edu RI Bao, Wenzhong/B-2453-2012; ZHOU, Peng/B-1572-2009; Guest, Jeffrey/B-2715-2009; Fei, Zhe/E-6475-2015 OI Bao, Wenzhong/0000-0002-3871-467X; Guest, Jeffrey/0000-0002-9756-8801; Fei, Zhe/0000-0002-7940-5566 FU U.S. Department of Energy Office of Science User Facility [DE-AC02-06CH11357]; U.S. DOE Basic Energy Sciences, Materials Sciences and Engineering Division [DE-SC0008145, SC0012509]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility under Contract No. DE-AC02-06CH11357. The work at UW was supported by the U.S. DOE Basic Energy Sciences, Materials Sciences and Engineering Division (DE-SC0008145 and SC0012509). The work at ORNL(JQY and DGM) was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 34 TC 2 Z9 2 U1 14 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2016 VL 94 IS 8 AR 081402 DI 10.1103/PhysRevB.94.081402 PG 6 WC Physics, Condensed Matter SC Physics GA DT3QF UT WOS:000381395200003 ER PT J AU Mentes, TO Stojic, N Vescovo, E Ablett, JM Nino, MA Locatelli, A AF Mentes, T. O. Stojic, N. Vescovo, E. Ablett, J. M. Nino, M. A. Locatelli, A. TI Vacancy-mediated fcc/bcc phase separation in Fe1-xNix ultrathin films SO PHYSICAL REVIEW B LA English DT Article ID INVAR-ALLOYS; NI; FE; W(110); IRRADIATION; DECOMPOSITION; DISTRIBUTIONS; TEMPERATURE; SURFACES; FE(110) AB The phase separation occurring in Fe-Ni thin films near the Invar composition is studied by using high-resolution spectromicroscopy techniques and density functional theory calculations. Annealed at temperatures around 300 degrees C, Fe0.70Ni0.30 films on W(110) break into micron-sized bcc and fcc domains with compositions in agreement with the bulk Fe-Ni phase diagram. Ni is found to be the diffusing species in forming the chemical heterogeneity. The experimentally determined energy barrier of 1.59 +/- 0.09 eV is identified as the vacancy formation energy via density functional theory calculations. Thus, the principal role of the surface in the phase separation process is attributed to vacancy creation without interstitials. C1 [Mentes, T. O.; Locatelli, A.] Elettra Sincrotrone Trieste SCpA, I-34149 Trieste, Italy. [Stojic, N.] Abdus Salam Int Ctr Theoret Phys, Str Costiera 11, I-34014 Trieste, Italy. [Stojic, N.] IOM CNR Democritos, I-34151 Trieste, Italy. [Vescovo, E.] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Ablett, J. M.] Synchrotron Soleil, BP 48, F-91192 Gif Sur Yvette, France. [Nino, M. A.] IMDEA Nanosci, Campus Univ Cantoblanco, Madrid 28049, Spain. RP Mentes, TO (reprint author), Elettra Sincrotrone Trieste SCpA, I-34149 Trieste, Italy. RI Nino Orti, Miguel Angel/M-2571-2014; OI Nino Orti, Miguel Angel/0000-0003-3692-147X; Locatelli, Andrea/0000-0002-8072-7343 NR 38 TC 0 Z9 0 U1 4 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2016 VL 94 IS 8 AR 085402 DI 10.1103/PhysRevB.94.085402 PG 8 WC Physics, Condensed Matter SC Physics GA DT3QF UT WOS:000381395200008 ER PT J AU Del Viva, MM Punzi, G Shevell, SK AF Del Viva, Maria M. Punzi, Giovanni Shevell, Steven K. TI Chromatic Information and Feature Detection in Fast Visual Analysis SO PLOS ONE LA English DT Article ID NATURAL SCENES; COLOR; PERCEPTION; ATTENTION; STIMULI; CATEGORIZATION; SENSITIVITY; RECOGNITION; LUMINANCE; SYSTEM AB The visual system is able to recognize a scene based on a sketch made of very simple features. This ability is likely crucial for survival, when fast image recognition is necessary, and it is believed that a primal sketch is extracted very early in the visual processing. Such highly simplified representations can be sufficient for accurate object discrimination, but an open question is the role played by color in this process. Rich color information is available in natural scenes, yet artist's sketches are usually monochromatic; and, black-and-white movies provide compelling representations of real world scenes. Also, the contrast sensitivity of color is low at fine spatial scales. We approach the question from the perspective of optimal information processing by a system endowed with limited computational resources. We show that when such limitations are taken into account, the intrinsic statistical properties of natural scenes imply that the most effective strategy is to ignore fine-scale color features and devote most of the bandwidth to gray-scale information. We find confirmation of these information-based predictions from psychophysics measurements of fast-viewing discrimination of natural scenes. We conclude that the lack of colored features in our visual representation, and our overall low sensitivity to high-frequency color components, are a consequence of an adaptation process, optimizing the size and power consumption of our brain for the visual world we live in. C1 [Del Viva, Maria M.] Univ Florence, NEUROFARBA Dipartimento Neurosci, Area Farmaco & Salute Bambino, Psicol,Sez Psicol, Via San Salvi,12 Complesso San Salvi, I-50135 Florence, Italy. [Del Viva, Maria M.; Shevell, Steven K.] Univ Chicago, Inst Mind & Biol, 940 East 57th St, Chicago, IL 60637 USA. [Punzi, Giovanni] Univ Pisa, Dipartimento Fis E Fermi, Via Buonarroti 2, I-56127 Pisa, Italy. [Punzi, Giovanni] Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Punzi, Giovanni] Fermi Natl Lab, Batavia, IL 60510 USA. [Shevell, Steven K.] Univ Chicago, Dept Psychol, 5848 S Univ Ave, Chicago, IL 60637 USA. RP Del Viva, MM (reprint author), Univ Florence, NEUROFARBA Dipartimento Neurosci, Area Farmaco & Salute Bambino, Psicol,Sez Psicol, Via San Salvi,12 Complesso San Salvi, I-50135 Florence, Italy.; Del Viva, MM (reprint author), Univ Chicago, Inst Mind & Biol, 940 East 57th St, Chicago, IL 60637 USA. EM Michela@in.cnr.it FU Italian Ministry of Research Grant; MIUR-PRIN [2007WMC8ZY_001, 20083N7YWS_004]; University of Chicago FX This work was supported by an Italian Ministry of Research Grant, MIUR-PRIN # 2007WMC8ZY_001 (http://www.istruzione.it), MIUR-PRIN # 20083N7YWS_004 (http://www.istruzione.it), and University of Chicago: Support for research on rapid recognition of meaningful patterns (http://imb.uchicago.edu). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 30 TC 0 Z9 0 U1 1 U2 1 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD AUG 1 PY 2016 VL 11 IS 8 AR e0159898 DI 10.1371/journal.pone.0159898 PG 14 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS9NO UT WOS:000381110300020 PM 27478891 ER PT J AU Sanghapi, HK Jain, J Bol'shakov, A Lopano, C McIntyre, D Russo, R AF Sanghapi, Herve K. Jain, Jinesh Bol'shakov, Alexander Lopano, Christina McIntyre, Dustin Russo, Richard TI Determination of elemental composition of shale rocks by laser induced breakdown spectroscopy SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE LIBS; Shale rock; Elemental analysis ID LEAST-SQUARES REGRESSION; MULTIVARIATE CALIBRATION; SPECTROMETRY; STORAGE; SAMPLES; CUTTINGS; CARBON; STEEL AB In this study laser induced breakdown spectroscopy (LIBS) is used for elemental characterization of outcrop samples from the Marcellus Shale. Powdered samples were pressed to form pellets and used for LIBS analysis. Partial least squares regression (PLS-R) and univariate calibration curves were used for quantification of analytes. The matrix effect is substantially reduced using the partial least squares calibration method. Predicted results with LIBS are compared to ICP-OES results for Si, Al, Ti, Mg, and Ca. As for C, its results are compared to those obtained by a carbon analyzer. Relative errors of the LIBS measurements are in the range of 1.7 to 12.6%. The limits of detection (LODs) obtained for Si, Al, Ti, Mg and Ca are 60.9, 33.0,15.6, 42 and 0.03 ppm, respectively. An LOD of 0.4 wt.% was obtained for carbon. This study shows that the LIBS method can provide a rapid analysis of shale samples and can potentially benefit depleted gas shale carbon storage research. (C) 2016 Elsevier B.V. All rights reserved. C1 [Sanghapi, Herve K.] Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS 39759 USA. [Jain, Jinesh; Lopano, Christina] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Bol'shakov, Alexander; Russo, Richard] Appl Spectra Inc, Fremont, CA 94538 USA. [McIntyre, Dustin] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Jain, J (reprint author), US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. OI Bol'shakov, Alexander/0000-0002-6034-7079 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 34 TC 1 Z9 1 U1 12 U2 13 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 AUG 1 PY 2016 VL 122 BP 9 EP 14 DI 10.1016/j.sab.2016.05.011 PG 6 WC Spectroscopy SC Spectroscopy GA DU7QR UT WOS:000382410200002 ER PT J AU Chan, GCY Choi, I Mao, XL Zorba, V Lam, OP Shuh, DK Russo, RE AF Chan, George C-Y. Choi, Inhee Mao, Xianglei Zorba, Vassilia Lam, Oanh P. Shuh, David K. Russo, Richard E. TI Isotopic determination of uranium in soil by laser induced breakdown spectroscopy SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Isotopic analysis; Uranium; Laser induced breakdown spectroscopy; Spectral decomposition; Atomic hyperfine structure ID ATOMIC EMISSION-SPECTROMETRY; OPTICAL SPECTRAL METHOD; HYPERFINE-STRUCTURE; ENERGY-LEVELS; OPTOGALVANIC SPECTROSCOPY; DOUBLE-RESONANCE; INDUCED PLASMA; RATIOS; LINE; ABSORPTION AB Laser-induced breakdown spectroscopy (LIES) operated under ambient pressure has been evaluated for isotopic analysis of uranium in real-world samples such as soil, with U concentrations in the single digit percentage levels. The study addresses the requirements for spectral decomposition of U-235 and U-238 atomic emission peaks that are only partially resolved. Although non-linear least-square fitting algorithms are typically able to locate the optimal combination of fitting parameters that best describes the experimental spectrum even when all fitting parameters are treated as free independent variables, the analytical results of such an unconstrained free-parameter approach are ambiguous. In this work, five spectral decomposition algorithms were examined, with different known physical properties (e.g., isotopic splitting, hyperfine structure) of the spectral lines sequentially incorporated into the candidate algorithms as constraints. It was found that incorporation of such spectral-line constraints into the decomposition algorithm is essential for the best isotopic analysis. The isotopic abundance of U-235 was determined from a simple two-component Lorentzian fit on the U II 424.437 nm spectral profile. For six replicate measurements, each with only fifteen laser shots, on a soil sample with U concentration at 1.1% w/w, the determined U-235 isotopic abundance was (64.6 +/- 4.8)%, and agreed well with the certified value of 64.4%. Another studied U line - U I 682.691 nm possesses hyperfine structure that is comparatively broad and at a significant fraction as the isotopic shift. Thus, U-235 isotopic analysis with this U I line was performed with spectral decomposition involving individual hyperfine components. For the soil sample with 1.1% w/w U, the determined U-235 isotopic abundance was (60.9 +/- 2.0)%, which exhibited a relative bias about 6% from the certified value. The bias was attributed to the spectral resolution of our measurement system - the measured line width for this U I line was larger than its isotopic splitting. Although not the best emission line for isotopic analysis, this U I emission line is sensitive for element analysis with a detection limit of 500 ppm U in the soil matrix; the detection limit for the U II 424.437 nm line was 2000 ppm. (C) 2016 Elsevier B.V. All rights reserved. C1 [Chan, George C-Y.; Choi, Inhee; Mao, Xianglei; Zorba, Vassilia; Lam, Oanh P.; Shuh, David K.; Russo, Richard E.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Choi, Inhee] Korea Inst Nucl Safety, 62 Gwahakro, Daejeon, South Korea. RP Mao, XL (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM x_mao@lbl.gov FU Defense Nuclear Nonproliferation Research and Development Office; Heavy Element Chemistry Program of the U.S. Department of Energy at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the Defense Nuclear Nonproliferation Research and Development Office (GCC, XLM, IC, VZ, RER), and the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, Separations and Analysis Program (GCC, XLM, IC, VZ, RER) and the Heavy Element Chemistry Program (OPL, DKS) of the U.S. Department of Energy under contract number DE-AC02-05CH11231 at the Lawrence Berkeley National Laboratory. NR 55 TC 0 Z9 0 U1 13 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 AUG 1 PY 2016 VL 122 BP 31 EP 39 DI 10.1016/j.sab.2016.05.014 PG 9 WC Spectroscopy SC Spectroscopy GA DU7QR UT WOS:000382410200005 ER PT J AU Mao, XL Chan, GCY Zorba, V Russo, RE AF Mao, Xianglei Chan, George C. -Y. Zorba, Vassilia Russo, Richard E. TI Reduction of spectral interferences and noise effects in laser ablation molecular isotopic spectrometry with partial least square regression - a computer simulation study SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE Isotopic analysis; Laser ablation molecular isotopic spectrometry; Partial least square; Spectral interference; C-2 Swan band ID INDUCED BREAKDOWN SPECTROSCOPY; INDUCED PLASMAS; MULTIVARIATE CALIBRATION; SWAN SYSTEM; CARBON; RATIO; C-2; INFORMATION; PRECISION AB The fundamental analytical accuracies and precisions attainable by laser ablation molecular isotopic spectrometry (LAMIS), with emphasis on the impacts from spectral interferences and measurement noise, were investigated by means of computer simulation. The study focused on the analysis of a minor isotope at sub- to single-percentage abundance level. With a natural abundance about 1.1% for C-13, the C-2 Swan band (d 3 Pi(g-a) (3)Pi(u)) with Delta v = +1 was selected as a representative system. The characteristics (e.g., noise amplitude and distribution, signal strength, and signal-to-background ratio) of the simulated spectra were experimentally characterized. Partial least square (PLS) regression was used to extract isotopic information from the simulated molecular spectra. In the absence of any spectral interference and with the use of a calibration set consisting of eleven isotopic standards, the theoretical accuracies and precisions with signal accumulation from 100 laser shots are about 0.002% and 0.001%, respectively, in absolute percentage abundance of C-13. The theoretical analytical accuracies slightly degrade, but are adequate for many applications, to 0.004% and 0.008% respectively, for calibrations involving only three and two isotopic standards. It was found that PLS regression is not only immune to both source-flicker and photon-shot noise, but is also effective in differentiating the spectral patterns from the analyte against those from spectral interferences. The influences of spectral interference from single or multiple atomic emission lines were simulated, and new ways to minimize their impacts were formulated and demonstrated. It was found that the wavelength range selected for the computation of the normalization factor should not contain any spectral-interfering peak, and a properly chosen wavelength range increases the tolerance of spectral interference by at least one order of magnitude. With matrix-matched calibration standards, the precisions (expressed as RSDs of the determined C-13 isotopic abundances) degrade from similar to 1 parts per thousand in the absence of spectral interference, to similar to 3 parts per thousand, 10 parts per thousand and 20 parts per thousand with multiple spectral-interfering peaks that are 10x, 100x and 1000x, respectively, stronger than the molecular bandhead of the analyte. The study concluded that PIS regression is a powerful and indispensable tool for extraction of isotopic information from LAMIS spectra. (C) 2016 Elsevier B.V. All rights reserved. C1 [Mao, Xianglei; Chan, George C. -Y.; Zorba, Vassilia; Russo, Richard E.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Chan, GCY (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM gcchan@lbl.gov FU Defense Nuclear Nonproliferation Research and Development Office; Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, Separations and Analysis Program of the U.S. Department of Energy at the Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the Defense Nuclear Nonproliferation Research and Development Office, and the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, Separations and Analysis Program of the U.S. Department of Energy under contract number DE-AC02-05CH11231 at the Lawrence Berkeley National Laboratory. NR 40 TC 0 Z9 0 U1 9 U2 10 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 AUG 1 PY 2016 VL 122 BP 75 EP 84 DI 10.1016/j.sab.2016.05.013 PG 10 WC Spectroscopy SC Spectroscopy GA DU7QR UT WOS:000382410200012 ER PT J AU Colgan, J Barefield, JE Judge, EJ Campbell, K Johns, HM Kilcrease, DP McInroy, R Clegg, SM AF Colgan, J. Barefield, J. E., II Judge, E. J. Campbell, K. Johns, H. M. Kilcrease, D. P. McInroy, R. Clegg, S. M. TI Experimental and theoretical studies of laser-induced breakdown spectroscopy emission from iron oxide: Studies of atmospheric effects SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE LIBS; Matrix effects; Atomic physics; LTE modeling ID PLASMA; LIBS; SPECTRA; TEMPERATURE; INTENSITY; PRESSURE; DENSITY AB We report on a comprehensive study of the emission spectra from laser-induced breakdown spectroscopy (LIBS) measurements on iron oxide. Measurements have been made of the emission from Fe2O3 under atmospheres of air, He, and Ar, and at different atmospheric pressures. The effect of varying the time delay of the measurement is also explored. Theoretical calculations were performed to analyze the plasma conditions and find that a reasonably consistent picture of the change in plasma temperature and density for different atmospheric conditions can be reached. We also investigate the sensitivity of the O I 777 nm emission lines to the plasma conditions, something that has not been explored in detail in the previous work. Finally, we also show that LIBS can be used to differentiate between FeO and Fe2O3 by examining the ratio of the intensities of selected Fe emission to O emission lines. (C) 2016 Elsevier B.V. All rights reserved. C1 [Colgan, J.; Johns, H. M.; Kilcrease, D. P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Barefield, J. E., II; Judge, E. J.; Campbell, K.] Los Alamos Natl Lab, Chem Diagnost & Engn, Los Alamos, NM 87545 USA. [McInroy, R.; Clegg, S. M.] Los Alamos Natl Lab, Phys Chem & Appl Spect, Los Alamos, NM 87545 USA. RP Colgan, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Barefield, James/0000-0001-8674-6214; Johns, Heather/0000-0001-7252-3343; Kilcrease, David/0000-0002-2319-5934; Clegg, Sam/0000-0002-0338-0948 FU U.S. DOE [DE-AC5206NA25396] FX The Los Alamos National Laboratory is operated by Los Alamos National Security, LLC for the NNSA of the U.S. DOE under Contract No. DE-AC5206NA25396. This work was carried out under laboratory-directed research and development funding. NR 33 TC 0 Z9 0 U1 6 U2 10 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 AUG 1 PY 2016 VL 122 BP 85 EP 92 DI 10.1016/j.sab.2016.05.016 PG 8 WC Spectroscopy SC Spectroscopy GA DU7QR UT WOS:000382410200013 ER PT J AU Judge, EJ Colgan, J Campbell, K Barefield, JE Johns, HM Kilcrease, DP Clegg, S AF Judge, Elizabeth J. Colgan, James Campbell, Keri Barefield, James E., II Johns, Heather M. Kilcrease, David P. Clegg, Samuel TI Theoretical and experimental investigation of matrix effects observed in emission spectra of binary mixtures of sodium and copper and magnesium and copper pressed powders SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article; Proceedings Paper CT 8th Euro-Mediterranean Symposium on Laser Induced Breakdown Spectroscopy (EMSLIBS) CY SEP 14-18, 2015 CL Linz, AUSTRIA DE Matrix effects; LIBS; Theoretical modeling of laser induced plasma; Electron density ID INDUCED BREAKDOWN SPECTROSCOPY; INDUCED PLASMA SPECTROSCOPY; QUANTITATIVE ELEMENTAL ANALYSIS; BOTTOM ASHES; GLASS MELTS; PART II; SPECTROMETRY; VITRIFICATION; FLY AB The goal of this work was to investigate the matrix effect of copper in the presence of sodium or magnesium in a laser-induced plasma. Varying amounts of copper were mixed and pressed with a constant amount of sodium or magnesium and a stearic acid binder. Experimental parameters such as delay time and laser pulse energy were varied to observe trends in the emission intensity of the Na I 588.99 nm, Na I 589.59 nm, Mg I 277.98 nm, and Mg II 279.08 nm lines. Experimental observations are supported by theoretical calculations and modeling that show the Na I and Mg I emission intensities increase in the presence of copper while the Mg II line intensity decreases due to the increase in electron density (Ne) of the plasma when copper is added. The increase in electron density changes the population of the atomic species within the plasma through an increase in recombination of ions with electrons, shifting the populations toward more neutral states, providing an explanation for the observed matrix effects found in these, and many previous, studies. (C) 2016 Elsevier B.V. All rights reserved. C1 [Judge, Elizabeth J.; Campbell, Keri; Barefield, James E., II; Clegg, Samuel] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. [Colgan, James; Johns, Heather M.; Kilcrease, David P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. RP Judge, EJ (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. EM bethjudge@lanl.gov OI Barefield, James/0000-0001-8674-6214; Johns, Heather/0000-0001-7252-3343; Kilcrease, David/0000-0002-2319-5934; Judge, Elizabeth/0000-0002-2747-1326; Clegg, Sam/0000-0002-0338-0948 NR 34 TC 0 Z9 0 U1 7 U2 8 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 AUG 1 PY 2016 VL 122 BP 142 EP 148 DI 10.1016/j.sab.2016.06.004 PG 7 WC Spectroscopy SC Spectroscopy GA DU7QR UT WOS:000382410200020 ER PT J AU Morsy, A Ebrahim, S Kenawy, ER Abdel-Fattah, T Kandil, S AF Morsy, Ashraf Ebrahim, Shaker Kenawy, El-Refaie Abdel-Fattah, Tarek Kandil, Sherif TI Grafted cellulose acetate reverse osmosis membrane using 2-acrylamido-2-methylpropanesulfonic acid for water desalination SO WATER SCIENCE AND TECHNOLOGY-WATER SUPPLY LA English DT Article DE 2-acrylamide-2-methylpropane sulfonic acid; cellulose acetate; desalination; membrane ID PHASE-INVERSION MEMBRANES; SURFACE MODIFICATION; POLYMERIZATION AB Reverse osmosis (RO) membranes based on cellulose acetate (CA), were prepared using a phase inversion technique. To improve the hydrophilicity, salt rejection and water flux of these membranes, a novel grafting of 2-acrylamido-2-methylpropanesulfonic acid (AMPSA) was added on the top surface of the CA-RO membranes. The grafted CA-RO membranes were characterized by Fourier transform infrared spectroscopy (FTIR), contact angle, and scanning electron microscopy techniques. It was found that the contact angles were 58 degrees and 45 degrees for pristine CA and 15 wt% grafted CA-RO membranes, respectively, which suggest an increase in the membrane surface hydrophilicity after grafting. The morphological studies of the surface of the pristine CA-RO membrane revealed a typical ridge-and-valley morphology and displayed a relatively high surface roughness of 337 nm, and a significant decrease at 15 wt% of grafted CA-RO membrane to 7 nm. The effect of the grafting percentages of AMPSA on the water flux and salt rejection was studied using a cross flow RO unit. The salt rejection and water flux of the grafted CA-RO membrane with 15 wt% were 99.03% and 6 L/m(2)h, respectively. C1 [Morsy, Ashraf; Ebrahim, Shaker; Kandil, Sherif] Inst Grad Studies & Res, Dept Mat Sci, 163 Horreya Ave, Alexandria, Egypt. [Morsy, Ashraf] Egyptian Petrochem Co, Dept Chem, Alexandria, Egypt. [Kenawy, El-Refaie] Tanta Univ, Dept Chem, Fac Sci, Tanta, Egypt. [Abdel-Fattah, Tarek] Christopher Newport Univ, Thomas Jefferson Natl Accelerator Facil, Appl Res Ctr, Newport News, VA 23606 USA. [Abdel-Fattah, Tarek] Christopher Newport Univ, Dept Mol Biol & Chem, Newport News, VA 23606 USA. RP Ebrahim, S (reprint author), Inst Grad Studies & Res, Dept Mat Sci, 163 Horreya Ave, Alexandria, Egypt. EM shaker.ebrahim@alexu.edu.eg FU Science and Technology Development Fund in Egypt [3988] FX This work is supported by the Science and Technology Development Fund in Egypt (project ID 3988). NR 34 TC 0 Z9 0 U1 9 U2 10 PU IWA PUBLISHING PI LONDON PA ALLIANCE HOUSE, 12 CAXTON ST, LONDON SW1H0QS, ENGLAND SN 1606-9749 J9 WATER SCI TECH-W SUP JI Water Sci. Technol.-Water Supply PD AUG PY 2016 VL 16 IS 4 BP 1046 EP 1056 DI 10.2166/ws.2016.025 PG 11 WC Engineering, Environmental; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA DU6JV UT WOS:000382321800019 ER PT J AU Jeon, S Doak, PW Sumpter, BG Ganesh, P MaksyMovych, P AF Jeon, Seokmin Doak, Peter W. Sumpter, Bobby G. Ganesh, Panchapakesan MaksyMovych, Petro TI Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces SO ACS NANO LA English DT Article DE phase diagram; molecular ion; charge transfer complex; self-assembly; electrostatics; scanning tunneling microscopy; density functional theory ID SCANNING-TUNNELING-MICROSCOPY; AUGMENTED-WAVE METHOD; AU(111); DECANETHIOL; ADSORPTION; LAYERS AB Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions, and superconducting ground states. In contrast, few of these phenomena have been observed in low dimensional molecular structures, including thin films, nanoparticles, and molecular blends, not in the least because most of such structures have been composed of nearly closed shell molecules. It is therefore desirable to develop low dimensional ionic molecular structures that can capture potential applications. Here, we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctive property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of a 1:1 ratio in the bulk. We propose the existence of the surface phase diagram that controls the structures of TTF TCNQ on the surfaces and demonstrate phase transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram, and the corresponding phase transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases. C1 [Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; Ganesh, Panchapakesan; MaksyMovych, Petro] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP MaksyMovych, P (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM maksymovychp@ornl.gov RI Jeon, Seokmin/A-1059-2016; Doak, Peter/A-1910-2016; Sumpter, Bobby/C-9459-2013 OI Jeon, Seokmin/0000-0002-1230-906X; Doak, Peter/0000-0001-6039-9752; Sumpter, Bobby/0000-0001-6341-0355 NR 38 TC 0 Z9 0 U1 12 U2 18 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 AUG PY 2016 VL 10 IS 8 BP 7821 EP 7829 DI 10.1021/acsnano.6b03492 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DU1HP UT WOS:000381959100065 PM 27458890 ER PT J AU da Silva, RR Yang, MX Choi, SI Chi, MF Luo, M Zhang, C Li, ZY Camargo, PHC Ribeiro, SJL Xia, YN AF da Silva, Robson Rosa Yang, Miaoxin Choi, Sang-Il Chi, Miaofang Luo, Ming Zhang, Chao Li, Zhi-Yuan Camargo, Pedro H. C. Lima Ribeiro, Sidney Jose Xia, Younan TI Facile Synthesis of Sub-20 nm Silver Nanowires through a Bromide-Mediated Polyol Method SO ACS NANO LA English DT Article DE silver; nanowires; polyol method; kinetic control; surface plasmon resonance ID MULTIPLY-TWINNED PARTICLES; OPTICAL-PROPERTIES; CONDUCTING FILMS; GROWTH-MECHANISM; RIGHT BIPYRAMIDS; SINGLE-CRYSTAL; TRANSPARENT; NANOPARTICLES; NANOCRYSTALS; SHAPE AB Essentially all of the Ag nanowires reported in the literature have sizes larger than 30 nm in diameter. In this article, we report a simple and robust approach to the synthesis of Ag nanowires with diameters below 20 run and aspect ratios over 1000 using a one-pot polyol method. The Ag nanowires took a penta-twinned structure, and they could be obtained rapidly (<35 min) and in high morphology purity (>85% of the as-obtained solid product) under atmospheric pressure. The key to the success of this synthesis is to restrain the nanowires from lateral growth by employing both Br ions and poly(vinylpyrrolidone) with a high molecular weight of 1 300 000 g/mol to cap the {100} side faces, together with the use of a syringe pump to slowly introduce AgNO3 into the reaction solution. By optimizing the ratios between the capping agents and AgNO3, we were able to slow down the reduction kinetics and effectively direct the Ag nanowires to grow along the longitudinal direction only. The nanowires showed great mechanical flexibility and could be bent with acute angles without breaking. Because of their small diameters, the transverse localized surface plasmon resonance peak of the Ag nanowires could be pushed down to the ultraviolet region, below 400 nm, making them ideal conductive elements for the fabrication of touch screens, solar cells, and smart windows. C1 [da Silva, Robson Rosa; Choi, Sang-Il; Luo, Ming; Xia, Younan] Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA. [da Silva, Robson Rosa; Choi, Sang-Il; Luo, Ming; Xia, Younan] Emory Univ, Atlanta, GA 30332 USA. [da Silva, Robson Rosa; Lima Ribeiro, Sidney Jose] Sao Paulo State Univ UNESP, Inst Chem, CP 355, BR-14801970 Araraquara, Brazil. [Yang, Miaoxin; Xia, Younan] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Div Mat Sci, Oak Ridge, TN 37830 USA. [Zhang, Chao; Li, Zhi-Yuan] Chinese Acad Sci, Inst Phys, Lab Opt Phys, Beijing 100190, Peoples R China. [Camargo, Pedro H. C.] Univ Sao Paulo, Inst Quim, Dept Quim Fundamental, BR-05508000 Sao Paulo, Brazil. RP Xia, YN (reprint author), Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA.; Xia, YN (reprint author), Emory Univ, Atlanta, GA 30332 USA.; Xia, YN (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. EM younan.xia@bme.gatech.edu RI Chi, Miaofang/Q-2489-2015; Institute of Chemistry - USP, Dept. of Chemistry/B-8988-2012; Xia, Younan/E-8499-2011; OI Chi, Miaofang/0000-0003-0764-1567; Camargo, Pedro/0000-0002-7815-7919 FU Georgia Institute of Technology; Sao Paulo Research Foundation [2013/24391-9] FX This work was supported by startup funds from the Georgia Institute of Technology. As a visiting scholar from Sao Paulo State University, R.R.S. was also partially supported by the Sao Paulo Research Foundation under Project No. 2013/24391-9. NR 43 TC 2 Z9 2 U1 61 U2 87 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 AUG PY 2016 VL 10 IS 8 BP 7892 EP 7900 DI 10.1021/acsnano.6b03806 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DU1HP UT WOS:000381959100073 PM 27483165 ER PT J AU Choi, J Huh, J Carter, KR Russell, TP AF Choi, Jaewon Huh, June Carter, Kenneth R. Russell, Thomas P. TI Directed Self-Assembly of Block Copolymer Thin Films Using Minimal Topographic Patterns SO ACS NANO LA English DT Article DE block copolymers; directed self-assembly; cylindrical microdomains; minimal topographic patterns; lateral ordering ID LINE PATTERNS; DENSITY MULTIPLICATION; DIBLOCK COPOLYMERS; CHEMICAL-PATTERNS; FACETED SURFACES; DOT ARRAYS; LITHOGRAPHY; GRAPHOEPITAXY; ALIGNMENT; LAMELLAE AB We demonstrate that a minimal topographic pattern with a confinement depth (D) much less than the domain spacing of block copolymers (L-0) can be used to achieve highly ordered hexagonal arrays or unidirectionally aligned line patterns over large areas. Cylinder-forming poly(styrene-b-ethylene oxide) (PS-b-PEO) thin films were prepared on a series of minimal single trench patterns with different widths (W) and D. Upon thermal annealing, hexagonal arrays of cylindrical microdomains propagated away from the edges of a single trench, providing insight into the minimum pitch (P) of the trench necessary to fully order hexagonal arrays. The confinement trench D of 0.30L(0), the Win the range of 1.26L(0) to 2.16L(0), and the P as long as 18.84L(0) were found to be effective for the generation of laterally ordered hexagonal arrays with the density amplification up by a factor of 17, within the minimally patterned trench surfaces of 100 mu m by 100 pm. Furthermore, we produced line patterns of cylindrical microdomains by using solvent vapor annealing on the minimally patterned trench surfaces. However, highly aligned line patterns could be achieved only on the patterned surface with P = 5.75L(0), W = 1.264 and D = 030L(0) because the influence of the minimally patterned trench surface on the lateral ordering decreased as the P and W increase at the fixed D, resulting in poor ordering. These findings suggest that the minimal topographic pattern is more effective in guiding hexagonal arrays than in guiding line patterns. C1 [Choi, Jaewon; Carter, Kenneth R.; Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, 120 Governors Dr, Amherst, MA 01003 USA. [Russell, Thomas P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Huh, June] Korea Univ, Dept Chem & Biol Engn, 145 Anam Ro, Seoul 02841, South Korea. RP Carter, KR; Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, 120 Governors Dr, Amherst, MA 01003 USA.; Russell, TP (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Huh, J (reprint author), Korea Univ, Dept Chem & Biol Engn, 145 Anam Ro, Seoul 02841, South Korea. EM junehuh@korea.ac.kr; krcarter@polysci.umass.edu; russell@mail.pse.umass.edu RI Carter, Kenneth/G-2594-2015 OI Carter, Kenneth/0000-0002-7081-2296 FU National Science Foundation (NSF) [CMMI-1025020]; Samsung Foundation; NRF-Korea [2013R1A1A2064112] FX This work was supported by the National Science Foundation (NSF) supported Center for Hierarchical Manufacturing (CMMI-1025020) at the University of Massachusetts, Amherst. J.C. acknowledges Samsung Scholarship from the Samsung Foundation for financial support. J.H. acknowledges support from NRF-Korea (2013R1A1A2064112). We thank Dr. S.W. Hong for helpful discussions, J. Nicholson in the Nanofabrication Laboratory Facility (UMass Amherst) for technical assistance, S. Pi (ECE, UMASS Amherst) for helpful discussions about EBL, and Dr. J. John for helpful suggestions about ICP-RIE. We thank Dr. X. Gu for kindly providing the MATLAB code to colorize the grains of BCP line patterns. We thank EUV Technology for kindly providing the academic license for SUMMIT software. NR 55 TC 2 Z9 2 U1 33 U2 41 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 AUG PY 2016 VL 10 IS 8 BP 7915 EP 7925 DI 10.1021/acsnano.6b03857 PG 11 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DU1HP UT WOS:000381959100076 PM 27391372 ER PT J AU Pan, AZ He, B Fan, XY Liu, ZK Urban, JJ Alivisatos, AP He, L Liu, Y AF Pan, Aizhao He, Bo Fan, Xiaoyun Liu, Zeke Urban, Jeffrey J. Alivisatos, A. Paul He, Ling Liu, Yi TI Insight into the Ligand-Mediated Synthesis of Colloidal CsPbBr3 Perovskite Nanocrystals: The Role of Organic Acid, Base, and Cesium Precursors SO ACS NANO LA English DT Article DE colloidal nanocrystal; nanocubes; nanoplatelets; perovskite; surface chemistry ID LEAD HALIDE PEROVSKITES; LIGHT-EMITTING-DIODES; SENSITIZED SOLAR-CELLS; QUANTUM-DOT SOLIDS; INORGANIC INTERFACE; HYBRID PEROVSKITES; SINGLE-CRYSTALS; SURFACE; CSPBX3; GROWTH AB While convenient solution-based procedures have been realized for the synthesis of colloidal perovskite nanocrystals, the impact of surfactant ligands on the shape, size, and surface properties still remains poorly understood, which calls for a more detailed structure morphology study. Herein we have systematically varied the hydrocarbon chain composition of carboxylic acids and amines to investigate the surface chemistry and the independent impact of acid and amine on the size and shape of perovskite nanocrystals. Solution phase studies on purified nanocrystal samples by H-1 NMR and IR spectroscopies have confirmed the presence of both carboxylate and alkylammonium ligands on surfaces, with the alkylammonium ligand being much more mobile and susceptible to detachment from the nanocrystal surfaces during polar solvent washes. Moreover, the chain length variation of carboxylic acids and amines, ranging from 18 carbons down to two carbons, has shown independent correlation to the size and shape of nanocrystals in addition to the temperature effect. We have additionally demonstrated that employing a more soluble cesium acetate precursor in place of the universally used Cs2CO3 results in enhanced processability without sacrificing optical properties, thus offering a more versatile recipe for perovskite nanocrystal synthesis that allows the use of organic acids and amines bearing chains shorter than eight carbon atoms. Overall our studies have shed light on the influence of ligand chemistry on crystal growth and stabilization of the nanocrystals, which opens the door to functionalizable perovskite nanocrsytals through surface ligand manipulation. C1 [Pan, Aizhao; He, Ling] Xi An Jiao Tong Univ, Sch Sci, Dept Chem, Xianning West Rd 28, Xian 710049, Peoples R China. [Pan, Aizhao; He, Bo; Fan, Xiaoyun; Urban, Jeffrey J.; Liu, Yi] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [He, Bo; Alivisatos, A. Paul; Liu, Yi] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Fan, Xiaoyun] Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China. [Liu, Zeke; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Liu, Zeke; Alivisatos, A. Paul] Kavli Energy NanoSci Inst Berkeley, Berkeley, CA 94720 USA. RP He, L (reprint author), Xi An Jiao Tong Univ, Sch Sci, Dept Chem, Xianning West Rd 28, Xian 710049, Peoples R China.; Liu, Y (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA.; Liu, Y (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM heling@mail.xjtu.edu.cn; yliu@lbl.gov RI Liu, yi/A-3384-2008; Alivisatos , Paul /N-8863-2015 OI Liu, yi/0000-0002-3954-6102; Alivisatos , Paul /0000-0001-6895-9048 FU Self-Assembly of Organic/Inorganic Nanocomposite Materials program; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231]; Chinese Scholarship Council (CSC); National Basic Research Program of China (973 Program) [2012CB720904]; National Natural Science Foundation of China (NSFC) [51373133, 51573145]; International Cooperation Project of Shaanxi Province [2014KW11] FX This work was supported by the Self-Assembly of Organic/Inorganic Nanocomposite Materials program and was performed as a User Project at the Molecular Foundry, Lawrence Berkeley National Laboratory, all supported by the Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under contract DE-AC02-05CH11231. A.P. acknowledges the financial support from the Chinese Scholarship Council (CSC). This work was also supported by the National Basic Research Program of China (973 Program, No. 2012CB720904), the National Natural Science Foundation of China (NSFC Grants 51373133, 51573145), and the International Cooperation Project of Shaanxi Province (No. 2014KW11). The authors also wish to express their gratitude to the MOE Key Laboratory for Nonequilibrium Condensed Matter and Quantum Engineering of Xi'an Jiaotong University. NR 44 TC 13 Z9 13 U1 107 U2 175 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 AUG PY 2016 VL 10 IS 8 BP 7943 EP 7954 DI 10.1021/acsnano.6b03863 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DU1HP UT WOS:000381959100079 PM 27479080 ER PT J AU Sun, BB Wang, X Liao, YP Ji, ZX Chang, CH Pokhrel, S Ku, J Liu, XS Wang, M Dunphy, DR Li, RB Meng, H Maedler, L Brinker, CJ Nel, AE Xia, T AF Sun, Bingbing Wang, Xiang Liao, Yu-Pei Ji, Zhaoxia Chang, Chong Hyun Pokhrel, Suman Ku, Justine Liu, Xiangsheng Wang, Meiying Dunphy, Darren R. Li, Ruibin Meng, Huan Maedler, Lutz Brinker, C. Jeffrey Nel, Andre E. Xia, Tian TI Repetitive Dosing of Fumed Silica Leads to Profibrogenic Effects through Unique Structure-Activity Relationships and Biopersistence in the Lung SO ACS NANO LA English DT Article DE fumed silica; metal doping; lung fibrosis; biopersistence; dissolution ID NLRP3 INFLAMMASOME ACTIVATION; MULTIWALLED CARBON NANOTUBES; SYNTHETIC AMORPHOUS SILICA; MESOPOROUS SILICA; CHEMOSELECTIVE HYDROGENATION; OXIDATIVE STRESS; NANOPARTICLES; PULMONARY; TOXICITY; FIBROSIS AB Contrary to the notion that the use of fumed silica in consumer products can "generally (be) regarded as safe" (GRAS), the high surface reactivity of pyrogenic silica differs from other forms of synthetic amorphous silica (SAS), including the capacity to induce membrane damage and acute proinflammatory changes in the murine lung. In addition, the chain-like structure and reactive surface silanols also allow fumed silica to activate the NLRP3 inflammasome, leading to IL-1 beta production. This pathway is known to be associated with subchronic inflammation and profibrogenic effects in the lung by a-quartz and carbon nanotubes. However, different from the latter materials, bolus dose instillation of 21 mg/kg fumed silica did not induce sustained IL-1 beta production or subchronic pulmonary effects. In contrast, the NLRP3 inflammasome pathway was continuously activated by repetitive-dose administration of 3 x 7 mg/kg fumed silica, 1 week apart. We also found that while single-dose exposure failed to induce profibrotic effects in the lung, repetitive dosing can trigger increased collagen production, even at 3 X 3 mg/kg. The change between bolus and repetitive dosing was due to a change in lung clearance, with recurrent dosing leading to fumed silica biopersistence, sustained macrophage recruitment, and activation of the NLRP3 pathway. These subchronic proinflammatory effects disappeared when less surface-reactive titanium-doped fumed silica was used for recurrent administration. All considered, these data indicate that while fumed silica may be regarded as safe for some applications, we should reconsider the GRAS label during repetitive or chronic inhalation exposure conditions. C1 [Sun, Bingbing; Liao, Yu-Pei; Liu, Xiangsheng; Wang, Meiying; Li, Ruibin; Meng, Huan; Nel, Andre E.; Xia, Tian] Univ Calif Los Angeles, Div Nanomed, Dept Med, Los Angeles, CA 90095 USA. [Wang, Xiang; Ji, Zhaoxia; Chang, Chong Hyun; Nel, Andre E.; Xia, Tian] Univ Calif Los Angeles, Calif Nanosyst Inst, Los Angeles, CA 90095 USA. [Ku, Justine] Univ Calif Los Angeles, Dept Ecol & Evolutionary Biol, Los Angeles, CA 90095 USA. [Pokhrel, Suman; Maedler, Lutz] Univ Bremen, Dept Prod Engn, Fdn Inst Mat Sci IWT, D-28359 Bremen, Germany. [Dunphy, Darren R.; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. [Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet & Microbiol, Albuquerque, NM 87131 USA. [Li, Ruibin] Soochow Univ, Jiangsu Higher Educ Inst, Collaborat Innovat Ctr Radiat Med, Sch Radiol & Interdisciplinary Sci RAD X, Suzhou 215123, Peoples R China. [Brinker, C. Jeffrey] Sandia Natl Labs, Self Assembled Mat Dept, POB 5800 MS1349, Albuquerque, NM 87185 USA. RP Nel, AE; Xia, T (reprint author), Univ Calif Los Angeles, Div Nanomed, Dept Med, Los Angeles, CA 90095 USA.; Nel, AE; Xia, T (reprint author), Univ Calif Los Angeles, Calif Nanosyst Inst, Los Angeles, CA 90095 USA. EM anel@mednet.ucla.edu; txia@ucla.edu RI Sun, Bingbing/I-8197-2012; Wang, Xiang/J-2054-2014; xia, tian/C-3158-2013; OI Sun, Bingbing/0000-0002-5444-5078; Wang, Xiang/0000-0002-6647-0684; xia, tian/0000-0003-0123-1305; Madler, Lutz/0000-0002-7073-0733; Pokhrel, Suman/0000-0001-5712-2824 FU U.S. Public Health Service [R01 ES016746]; National Science Foundation and the Environmental Protection Agency [DBI 0830117, 1266377]; NIH [1S10RR23057]; CNSI at UCLA FX This work was primarily supported by the U.S. Public Health Service Grant R01 ES016746 and leveraged support from the National Science Foundation and the Environmental Protection Agency under Cooperative Agreement Numbers DBI 0830117 and 1266377. 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 National Science Foundation or the Environmental Protection Agency. This work has not been subjected to EPA review and no official endorsement should be inferred. The authors thank the CNSI Advanced Light Microscopy/Spectroscopy Shared Facility at UCLA for confocal fluorescent microscopy, the use of TEM instruments at the Electron Imaging Center for NanoMachines supported by NIH (1S10RR23057 to Z.H.Z.) and CNSI at UCLA. NR 55 TC 3 Z9 3 U1 22 U2 27 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 AUG PY 2016 VL 10 IS 8 BP 8054 EP 8066 DI 10.1021/acsnano.6b04143 PG 13 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DU1HP UT WOS:000381959100092 PM 27483033 ER PT J AU Cramer, AJ Cole, JM AF Cramer, Alisha J. Cole, Jacqueline M. TI Topological Analysis of Void Space in Phosphate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO2, H2O, UO2, PuO2, U, Pu, Sr2+, Cs+, CH4, and H-2 SO ACS SUSTAINABLE CHEMISTRY & ENGINEERING LA English DT Article DE Host-guest structure; Phosphate; Water sanitation; Energy fuel storage; CO2 emissions; Nuclear waste storage ID METAL-ORGANIC FRAMEWORKS; NUCLEAR-WASTE FORMS; LEACH RESISTANT CERAMICS; CRYSTAL-STRUCTURE; MAGNETIC-PROPERTIES; CARBON-DIOXIDE; SODIUM TRIMETAPHOSPHATE; THERMAL-BEHAVIOR; CYCLOTRIPHOSPHATE DIHYDRATE; POTASSIUM TRIMETAPHOSPHATE AB The entrapment of environmentally important materials to enable containment of polluting wastes from industry or energy production, storage of alternative fuels, or water sanitation, is of vital and immediate importance. Many of these materials are small molecules or ions that can be encapsulated via their adsorption into framework structures to create a host guest complex. This is an ever-growing field of study and, as such, the search for more suitable porous materials for environmental applications is fundamental to progress. However, many industrial areas that require the use of adsorbents are fraught with practical challenges, such as high temperatures, rapid gas expansion, radioactivity, or repetitive gas cycling, that the host material must withstand. Inorganic phosphates have a proven history of rigid structures, thermal stability, and are suspected to possess good resistance to radiation over geologic time scales. Furthermore, various experimental studies have established their ability to adsorb small molecules, such as water. In light of this, all known crystal structures of phosphate frameworks with meta- (P3O9) or ultra- (P5O14) stoichiometries are combined in a data-mining survey together with all theoretically possible structures of Ln(a)P(b)O(c) (where a, b, c are any integer, and Ln = La, Ce, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Er, or Tm) that are statistically likely to form. Topological patterns within these framework structures are used to assess their suitability for hosting a variety of small guest molecules or ions that are important for environmental applications: CO2, H2O, UO2, PuO2, U, Pu, Sr2+, Cs+, CH4 and H-2. A range of viable phosphate-based host guest complexes are identified from this data mining and pattern-based structural analysis. Therein, distinct topological preferences for hosting such guests are found, and metaphosphate stoichiometries are generally preferred over ultraphosphate configurations. C1 [Cramer, Alisha J.; Cole, Jacqueline M.] Univ Cambridge, Cavendish Lab, Dept Phys, JJ Thomson Ave, Cambridge CB3 0HE, England. [Cole, Jacqueline M.] STFC Rutherford Appleton Lab, ISIS Neutron & Muon Source, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England. [Cole, Jacqueline M.] Univ Cambridge, Dept Chem Engn & Biotechnol, Charles Babbage Rd, Cambridge CB3 0FS, England. [Cole, Jacqueline M.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, Dept Phys, JJ Thomson Ave, Cambridge CB3 0HE, England.; Cole, JM (reprint author), STFC Rutherford Appleton Lab, ISIS Neutron & Muon Source, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England.; Cole, JM (reprint author), Univ Cambridge, Dept Chem Engn & Biotechnol, Charles Babbage Rd, Cambridge CB3 0FS, England.; Cole, JM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jmc61@cam.ac.uk RI Cole, Jacqueline/C-5991-2008 FU 1851 Royal Commission; DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX J.M.C. is grateful to the 1851 Royal Commission for the 2014 Design Fellowship, and Argonne National Laboratory where work done was supported by DOE Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 139 TC 1 Z9 1 U1 13 U2 17 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 AUG PY 2016 VL 4 IS 8 BP 4094 EP 4112 DI 10.1021/acssuschemeng.6b00316 PG 19 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Engineering, Chemical SC Chemistry; Science & Technology - Other Topics; Engineering GA DS6CR UT WOS:000380869800005 ER PT J AU Reilly, AM Cooper, RI Adjiman, CS Bhattacharya, S Boese, AD Brandenburg, JG Bygrave, PJ Bylsma, R Campbell, JE Car, R Case, DH Chadha, R Cole, JC Cosburn, K Cuppen, HM Curtis, F Day, GM DiStasio, RA Dzyabchenko, A van Eijck, BP Elking, DM van den Ende, JA Facelli, JC Ferraro, MB Fusti-Molnar, L Gatsiou, CA Gee, TS de Gelder, R Ghiringhelli, LM Goto, H Grimme, S Guo, R Hofmann, DWM Hoja, J Hylton, RK Iuzzolino, L Jankiewicz, W de Jong, DT Kendrick, J de Klerk, NJJ Ko, HY Kuleshova, LN Li, XY Lohani, S Leusen, FJJ Lund, AM Lv, J Ma, YM Marom, N Masunov, AE McCabe, P McMahon, DP Meekes, H Metz, MP Misquitta, AJ Mohamed, S Monserrat, B Needs, RJ Neumann, MA Nyman, J Obata, S Oberhofer, H Oganov, AR Orendt, AM Pagola, GI Pantelides, CC Pickard, CJ Podeszwa, R Price, LS Price, SL Pulido, A Read, MG Reuter, K Schneider, E Schober, C Shields, GP Singh, P Sugden, IJ Szalewicz, K Taylor, CR Tkatchenko, A Tuckerman, ME Vacarro, F Vasileiadis, M Vazquez-Mayagoitia, A Vogt, L Wang, YC Watson, RE de Wijs, GA Yang, J Zhu, Q Groom, CR AF Reilly, Anthony M. Cooper, Richard I. Adjiman, Claire S. Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J. Bylsma, Rita Campbell, Josh E. Car, Roberto Case, David H. Chadha, Renu Cole, Jason C. Cosburn, Katherine Cuppen, Herma M. Curtis, Farren Day, Graeme M. DiStasio, Robert A. Dzyabchenko, Alexander van Eijck, Bouke P. Elking, Dennis M. van den Ende, Joost A. Facelli, Julio C. Ferraro, Marta B. Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S. de Gelder, Rene Ghiringhelli, Luca M. Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M. Hoja, Johannes Hylton, Rebecca K. Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniel T. Kendrick, John de Klerk, Niek J. J. Ko, Hsin-Yu Kuleshova, Liudmila N. Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J. Lund, Albert M. Lv, Jian Ma, Yanming Marom, Noa Masunov, Artem E. McCabe, Patrick McMahon, David P. Meekes, Hugo Metz, Michael P. Misquitta, Alston J. Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J. Neumann, Marcus A. Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R. Orendt, Anita M. Pagola, Gabriel I. Pantelides, Constantinos C. Pickard, Chris J. Podeszwa, Rafal Price, Louise S. Price, Sarah L. Pulido, Angeles Read, Murray G. Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P. Singh, Pawanpreet Sugden, Isaac J. Szalewicz, Krzysztof Taylor, Christopher R. Tkatchenko, Alexandre Tuckerman, Mark E. Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E. de Wijs, Gilles A. Yang, Jack Zhu, Qiang Groom, Colin R. TI Report on the sixth blind test of organic crystal structure prediction methods SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS LA English DT Article DE crystal structure prediction; polymorphism; lattice energies; Cambridge Structural Database ID DENSITY-FUNCTIONAL THEORY; MOLECULAR-CRYSTALS; ENERGY LANDSCAPE; LATTICE ENERGY; DISPERSION INTERACTIONS; CONDENSED-PHASE; POLYMORPHISM; EFFICIENT; CRYSTALLOGRAPHY; APPROXIMATION AB The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a chloride salt hydrate, a co-crystal and a bulky flexible molecule. This blind test has seen substantial growth in the number of participants, with the broad range of prediction methods giving a unique insight into the state of the art in the field. Significant progress has been seen in treating flexible molecules, usage of hierarchical approaches to ranking structures, the application of density-functional approximations, and the establishment of new workflows and 'best practices' for performing CSP calculations. All of the targets, apart from a single potentially disordered Z' = 2 polymorph of the drug candidate, were predicted by at least one submission. Despite many remaining challenges, it is clear that CSP methods are becoming more applicable to a wider range of real systems, including salts, hydrates and larger flexible molecules. The results also highlight the potential for CSP calculations to complement and augment experimental studies of organic solid forms. C1 [Reilly, Anthony M.; Cole, Jason C.; McCabe, Patrick; Read, Murray G.; Shields, Gregory P.; Groom, Colin R.] Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England. [Cooper, Richard I.] Chem Crystallog, Chem Res Lab, Mansfield Rd, Oxford OX1 3TA, England. [Adjiman, Claire S.; Gatsiou, Christina-Anna; Sugden, Isaac J.; Vasileiadis, Manolis] Imperial Coll London, Ctr Proc Syst Engn, Dept Chem Engn, London SW7 2AZ, England. [Bhattacharya, Saswata; Ghiringhelli, Luca M.; Hoja, Johannes; Tkatchenko, Alexandre] Max Planck Gesell, Fritz Haber Inst, Faradayweg 4-6, D-14195 Berlin, Germany. [Boese, A. Daniel] Graz Univ, Inst Phys & Theoret Chem, Dept Chem, Heinrichstr, A-8010 Graz, Austria. [Brandenburg, Jan Gerit; Grimme, Stefan] Rhein Friedrich Wilhelms Univ Bonn, Inst Phys & Theoret Chem, Mulliken Ctr Theoret Chem, Beringstr 4, D-53115 Bonn, Germany. [Bygrave, Peter J.; Campbell, Josh E.; Case, David H.; Day, Graeme M.; Gee, Thomas S.; McMahon, David P.; Nyman, Jonas; Pulido, Angeles; Taylor, Christopher R.; Yang, Jack] Univ Southampton, Sch Chem, Southampton SO17 1BJ, Hants, England. [Bylsma, Rita; Cuppen, Herma M.; van den Ende, Joost A.; de Gelder, Rene; de Jong, Daniel T.; de Klerk, Niek J. J.; de Wijs, Gilles A.] Radboud Univ Nijmegen, Inst Mol & Mat, Heyendaalseweg 135, NL-6525 AJ Nijmegen, Netherlands. [Car, Roberto; DiStasio, Robert A.; Ko, Hsin-Yu] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. [Chadha, Renu; Li, Xiayue; Singh, Pawanpreet] Panjab Univ, Univ Inst Pharmaceut Sci, Chandigarh, India. [Cosburn, Katherine; Curtis, Farren; Lohani, Sanjaya; Marom, Noa; Vacarro, Francesca] Tulane Univ, Dept Phys & Engn Phys, New Orleans, LA 70118 USA. [Cosburn, Katherine] Univ Toronto, Dept Phys, 60 St George St, Toronto, ON M5S 1A1, Canada. [Curtis, Farren] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [DiStasio, Robert A.] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. [Dzyabchenko, Alexander] Karpov Inst Phys Chem, Moscow, Russia. [van Eijck, Bouke P.] Univ Utrecht, NL-3508 TC Utrecht, Netherlands. [Elking, Dennis M.; Fusti-Molnar, Laszlo; Lund, Albert M.] OpenEye Sci Software, Suite D,9 Bisbee Court,Suite D, Santa Fe, NM 87508 USA. [Facelli, Julio C.; Orendt, Anita M.] Univ Utah, Ctr High Performance Comp, 155 South 1452 East Room 405, Salt Lake City, UT 84112 USA. [Facelli, Julio C.] Univ Utah, Dept Biomed Informat, 155 South 1452 East Room 405, Salt Lake City, UT 84112 USA. [Ferraro, Marta B.] Univ Buenos Aires, Fac Ciencias Exactas Natur, Dept Fis & Ifiba CONICET, Ciudad Univ, Buenos Aires, DF, Argentina. [Goto, Hitoshi] Toyohashi Univ Technol, Educ Programs Adv Simulat Engn, Tempaku cho, 1-1 Hibarigaoka, Toyohashi, Aichi 4418580, Japan. [Goto, Hitoshi] Toyohashi Univ Technol, Grad Sch Engn, Dept Comp Sci & Engn, Tempaku cho, 1-1 Hibarigaoka, Toyohashi, Aichi 4418580, Japan. [Guo, Rui; Hylton, Rebecca K.; Iuzzolino, Luca; Price, Louise S.; Price, Sarah L.; Watson, Rona E.] UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England. [Hofmann, Detlef W. M.] CRS4, Parco Sci Tecnol, Pula 09010, Italy. [Hofmann, Detlef W. M.] FlexCryst Schleifweg, D-91080 Uttenreuth, Germany. [Jankiewicz, Wojciech; Kuleshova, Liudmila N.; Podeszwa, Rafal] Univ Silesia, Inst Chem, Szkolna 9, PL-40006 Katowice, Poland. [Kendrick, John; Leusen, Frank J. J.] Univ Bradford, Fac Life Sci, Richmond Rd, Bradford BD7, W Yorkshire, England. [Vazquez-Mayagoitia, Alvaro] Argonne Natl Lab, Argonne Leadership Comp Facil, Lemont, IL 60439 USA. [Lund, Albert M.; Pantelides, Constantinos C.] Univ Utah, Dept Chem, 155 S 1452 East Room 405, Salt Lake City, UT 84112 USA. [Li, Xiayue; Lv, Jian; Ma, Yanming; Wang, Yanchao] Jilin Univ, State Key Lab Superhard, Changchun 130012, Peoples R China. [Marom, Noa] Carnegie Mellon Univ, Dept Phys, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. [Masunov, Artem E.] Univ Cent Florida, NanoSci Technol Ctr Univ, 12424 Res Pkwy PAV400, Orlando, FL 32826 USA. [Masunov, Artem E.] Univ Cent Florida, Dept Chem, 4111 Libra Dr PSB225, Orlando, FL 32816 USA. [Masunov, Artem E.; Meekes, Hugo] Univ Cent Florida, Dept Phys, 4111 Libra Dr PSB430, Orlando, FL 32816 USA. [Masunov, Artem E.] Natl Res Nucl Univ MEPhI, Dept Condensed Matter Phys, Kashirskoye Shosse 31, Moscow 115409, Russia. [Metz, Michael P.; Szalewicz, Krzysztof] Univ Delaware, Dept Phys & Astron, Newark, DE 19716 USA. [Misquitta, Alston J.] Queen Mary Univ London, Sch Phys & Astron, London E1 4NS, England. [Mohamed, Sharmarke] Khalifa Univ, POB 127788, Abu Dhabi, U Arab Emirates. [Monserrat, Bartomeu; Needs, Richard J.] Cavendish Lab, 19 JJ Thomson Ave, Cambridge CB3 0HE, England. [Monserrat, Bartomeu] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Neumann, Marcus A.] Avant garde Mat Simulat, Freiburg, Germany. [Oberhofer, Harald; Reuter, Karsten; Schober, Christoph] Tech Univ Munich, Chair Theoret Chem & Catalysis Res Ctr, Lichtenbergstr 4, D-85747 Garching, Germany. [Oganov, Artem R.; Zhu, Qiang] SUNY Stony Brook, Dept Geosci Ctr Mat Design, Stony Brook, NY 11794 USA. [Oganov, Artem R.; Zhu, Qiang] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA. [Oganov, Artem R.] Skolkovo Innovat Centers, Skolkovo Inst Sci & Technol, Bldg 3, Moscow 143026, Russia. [Oganov, Artem R.] Moscow Inst Phys & Technol, 9 Inst Lane, Moscow 141700, Russia. [Oganov, Artem R.; Pagola, Gabriel I.] Northwestern Polytech Univ, Sch Mat Sci & Engn, Int Ctr Mat Discovery, Xian 710072, Peoples R China. [Obata, Shigeaki; Pickard, Chris J.] Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England. [Pickard, Chris J.] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. [Schneider, Elia; Tuckerman, Mark E.; Vogt, Leslie] NYU, Dept Chem, 550 1St Ave, New York, NY 10003 USA. [Tkatchenko, Alexandre] Univ Luxembourg, Phys & Mat Sci Res Unit, L-1511 Luxembourg, Luxembourg. [Tuckerman, Mark E.] New York Univ, Courant Inst Math Sci, New York, NY 10012 USA. [Tuckerman, Mark E.] NYU, NYU ECNU Ctr Computat Chem, 3663 Zhongshan Rd North, Shanghai 200062, Peoples R China. [Vacarro, Francesca] Loyola Univ, Dept Chem, New Orleans, LA 70118 USA. RP Reilly, AM (reprint author), Cambridge Crystallog Data Ctr, 12 Union Rd, Cambridge CB2 1EZ, England. EM reilly@ccdc.cam.ac.uk RI Ma, Yanming/A-7297-2008; de Klerk, Nicholas/D-8388-2016; Wang, Yanchao/A-6634-2015; PULIDO, ANGELES/B-1061-2009; Masunov, Artem/A-1745-2011; Reuter, Karsten/D-9442-2011; de Gelder, Rene/D-4587-2012; Cuppen, Herma/F-9729-2015; Schneider, Elia/O-2444-2016; Day, Graeme/B-9437-2008; Monserrat, Bartomeu/D-5951-2012; Brandenburg, Jan Gerit/K-2148-2014; Grimme, Stefan/B-2873-2010 OI Ma, Yanming/0000-0003-3711-0011; Mohamed, Sharmarke/0000-0002-5195-2533; Hoja, Johannes/0000-0003-4138-2124; Reilly, Anthony/0000-0002-1090-1086; Boese, Adrian Daniel/0000-0001-7388-778X; Kendrick, John/0000-0002-9973-237X; FERRARO, MARTA/0000-0003-4001-8451; de Klerk, Nicholas/0000-0001-9223-0767; PULIDO, ANGELES/0000-0002-7596-7262; Masunov, Artem/0000-0003-4924-3380; Reuter, Karsten/0000-0001-8473-8659; Cuppen, Herma/0000-0003-4397-0739; Schneider, Elia/0000-0003-4957-7022; Day, Graeme/0000-0001-8396-2771; FU EPSRC [EP/J01110X/1, EP/K018132/1]; European Research Council under European Union/ERC [307358, 321156]; Russian Foundation for Basic Research [14-03-01091]; GlaxoSmithKline; Merck; Vertex; VIDI Research Program [700.10.427]; Netherlands Organization for Scientific Research (NWO); European Research Council [259510-KISMOL]; Foundation for Fundamental Research on Matter (FOM); NSF [ACI-1053575, EPS-1003897]; University of Buenos Aires; Argentinian Research Council; Conflex Corp.; Ministry of Education, Culture, Sports, Science and Technology; Louisiana Board of Regents Award [LEQSF(2014-17)-RD-A-10]; Tulane Committee on Research Summer Fellowship; Solar Technologies Go Hybrid initiative of the State of Bavaria, Germany; Office of Science of the US Department of Energy [DE-AC02-06CH11357, DE-AC02-05CH11231]; College of Engineering at Khalifa University; United Kingdom's Engineering and Physical Sciences Research Council (EPSRC) [EP/J003840/1, EP/J014958/1]; High Performance Computing Cluster at Imperial College London; DMACRYS; Engineering and Physical Sciences Research Council (EPSRC) of the UK [EP/J017639/1]; Leadership Fellowship Grant [EP/K013688/1]; Robinson College, Cambridge; Cambridge Philosophical Society; Army Research Office [W911NF-13-1-0387]; National Science Foundation [CHE-1152899, DMR-1231586]; Polish National Science Centre [DEC-2012/05/B/ST4/00086]; EPSRC through grant ESPRC [EP/K039229/1]; Eli Lilly; UCL Max-Planck Society Magdeburg Impact studentship; UCL Impact studentship; Cambridge Crystallographic Data Centre; M3S Centre for Doctoral Training (EPSRC) [EP/G036675/1]; US Army Research Laboratory; US Army Research Office [W911NF-13-1-0387]; Materials Research Science and Engineering Center (MRSEC) program of the National Science Foundation [DMR-1420073]; Government of Russian Federation [14.A12.31.0003]; Foreign Talents Introduction and Academic Exchange Program [B08040]; Russian Science Foundation [14-43-00052]; Deutsche Forschungsgemeinschaft [DFGSPP 1807]; Department of Energy (DOE) [DE-SC0008626] FX The Day group acknowledge the use of the IRIDIS High Performance Computing Facility, and associated support services at the University of Southampton, in the completion of this work. We acknowledge funding from the EPSRC (grants EP/J01110X/1 and EP/K018132/1) and the European Research Council under the European Union's Seventh Framework Programme (FP/2007-2013)/ERC through grant agreements No. 307358 (ERC-stG-2012-ANGLE) and No. 321156 (ERC-AG-PE5-ROBOT).; I am grateful to Mikhail Kuzminskii for calculations of molecular structures using the GAUSSIAN98 program in the Institute of Organic Chemistry RAS. The Russian Foundation for Basic Research is acknowledged for financial support (14-03-01091).; We would like to acknowledge support of this work by GlaxoSmithKline, Merck, and Vertex.; The research was financially supported by the VIDI Research Program 700.10.427, which is financed by The Netherlands Organization for Scientific Research (NWO), and the European Research Council (ERC-2010-StG, grant agreement n. 259510-KISMOL). We acknowledge the support of the Foundation for Fundamental Research on Matter (FOM). Supercomputer facilities were provided by the National Computing Facilities Foundation (NCF).; Computer resources were provided by the Center for High Performance Computing at the University of Utah and the Extreme Science and Engineering Discovery Environment (XSEDE), supported by NSF grant number ACI-1053575. MBF and GIP acknowledge support from the University of Buenos Aires and the Argentinian Research Council.; We thank Dr Bouke van Eijck for his valuable advice on our predicted structure of (XXV). We thank the promotion office for TUT programs on advanced simulation engineering (ADSIM), the leading program for training brain information architects (BRAIN), and the information and media center (IMC) at Toyohashi University of Technology for the use of the TUT supercomputer systems and application software. We also thank the ACCMS at Kyoto University for the use of their supercomputer. In addition, we wish to thank financial support from Conflex Corp. and Ministry of Education, Culture, Sports, Science and Technology.; We thank Leslie Leiserowitz from the Weizmann Institute of Science and Geoffrey Hutchinson from the University of Pittsburgh for helpful discussions. We thank Adam Scovel at the Argonne Leadership Computing Facility (ALCF) for technical support. Work at Tulane University was funded by the Louisiana Board of Regents Award # LEQSF(2014-17)-RD-A-10 'Toward Crystal Engineering from First Principles', by the NSF award # EPS-1003897 'The Louisiana Alliance for Simulation-Guided Materials Applications (LA-SiGMA)', and by the Tulane Committee on Research Summer Fellowship. Work at the Technical University of Munich was supported by the Solar Technologies Go Hybrid initiative of the State of Bavaria, Germany. Computer time was provided by the Argonne Leadership Computing Facility (ALCF), which is supported by the Office of Science of the US Department of Energy under contract DE-AC02-06CH11357.; This work would not have been possible without funding from the College of Engineering at Khalifa University and I am grateful for the support of Professor Robert Bennell and Professor Bayan Sharif in facilitating the acquisition of all necessary resources. All of the theoretical data reported in this work were obtained using the High Performance Computing Cluster of Khalifa University and Dr Yacine Addad is acknowledged for providing systems support. Dr Louise S. Price is thanked for her guidance on the use of DMACRYS and NEIGHCRYS during the course of this research. She is also thanked for useful discussions and numerous email exchanges concerning the blind test. Professor Sarah L. Price is acknowledged for her support and guidance over many years and for providing access to DMACRYS and NEIGHCRYS.; The work was supported by the United Kingdom's Engineering and Physical Sciences Research Council (EPSRC) (EP/J003840/1, EP/J014958/1) and was made possible through access to computational resources and support from the High Performance Computing Cluster at Imperial College London. We are grateful to Professor Sarah L. Price for supplying the DMACRYS code for use within CrystalOptimizer, and to her and her research group for support with DMACRYS and feedback on CrystalPredictor and CrystalOptimizer.; RJN acknowledges financial support from the Engineering and Physical Sciences Research Council (EPSRC) of the UK [EP/J017639/1]. RJN and CJP acknowledge use of the Archer facilities of the UK's national high-performance computing service (for which access was obtained via the UKCP consortium [EP/K014560/1]). CJP also acknowledges a Leadership Fellowship Grant [EP/K013688/1]. BM acknowledges Robinson College, Cambridge, and the Cambridge Philosophical Society for a Henslow Research Fellowship.; The work at the University of Delaware was supported by the Army Research Office under Grant W911NF-13-1-0387 and by the National Science Foundation Grant CHE-1152899. The work at the University of Silesia was supported by the Polish National Science Centre Grant No. DEC-2012/05/B/ST4/00086.; We would like to thank Constantinos Pantelides, Claire Adjiman and Isaac Sugden of Imperial College for their support of our use of CrystalPredictor and CrystalOptimizer in this and Submission 19. The CSP work of the group is supported by EPSRC, through grant ESPRC EP/K039229/1, and Eli Lilly. The PhD students support: RKH by a joint UCL Max-Planck Society Magdeburg Impact studentship, REW by a UCL Impact studentship; LI by the Cambridge Crystallographic Data Centre and the M3S Centre for Doctoral Training (EPSRC EP/G036675/1).; The potential generation work at the University of Delaware was supported by the Army Research Office under Grant W911NF-13-1-0387 and by the National Science Foundation Grant CHE-1152899.; The work at New York University was supported, in part, by the US Army Research Laboratory and the US Army Research Office under contract/grant number W911NF-13-1-0387 (MET and LV) and, in part, by the Materials Research Science and Engineering Center (MRSEC) program of the National Science Foundation under Award Number DMR-1420073 (MET and ES). The work at the University of Delaware was supported by the US Army Research Laboratory and the US Army Research Office under contract/grant number W911NF-13-1-0387 and by the National Science Foundation Grant CHE-1152899.; We thank the National Science Foundation (DMR-1231586), the Government of Russian Federation (Grant No. 14.A12.31.0003), the Foreign Talents Introduction and Academic Exchange Program (No. B08040) and the Russian Science Foundation, project No. 14-43-00052, base organization Photochemistry Center of the Russian Academy of Sciences. Calculations were performed on the Rurik supercomputer at Moscow Institute of Physics and Technology.; The potential generation work at the University of Delaware was supported by the Army Research Office under Grant W911NF-13-1-0387 and by the National Science Foundation Grant CHE-1152899.; JH and AT acknowledge support from the Deutsche Forschungsgemeinschaft under the program DFGSPP 1807. H-YK, RAD and RC acknowledge support from the Department of Energy (DOE) under Grant No. DE-SC0008626. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-06CH11357. This research 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. Additional computational resources were provided by the Terascale Infrastructure for Groundbreaking Research in Science and Engineering (TIGRESS) High Performance Computing Center and Visualization Laboratory at Princeton University. NR 109 TC 27 Z9 27 U1 48 U2 66 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-5206 J9 ACTA CRYSTALLOGR B JI Acta Crystallogr. Sect. B-Struct. Sci.Cryst. Eng. Mat. PD AUG PY 2016 VL 72 SI SI BP 439 EP 459 DI 10.1107/S2052520616007447 PN 4 PG 21 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA DS4SQ UT WOS:000380772000003 PM 27484368 ER PT J AU Wagner, JL Casper, KM Beresh, SJ Hunter, PS Spillers, RW Henfling, JF AF Wagner, Justin L. Casper, Katya M. Beresh, Steven J. Hunter, Patrick S. Spillers, Russell W. Henfling, John F. TI Response of a Store with Tunable Natural Frequencies in Compressible Cavity Flow SO AIAA JOURNAL LA English DT Article ID RECTANGULAR CAVITY; OSCILLATIONS AB Fluid-structure interactions that occur during aircraft internal store carriage were experimentally explored at Mach 0.58-1.47 using a generic, aerodynamic store installed in a rectangular cavity having a length-to-depth ratio of seven. The store vibrated in response to the cavity flow at its natural structural frequencies, and it exhibited a directionally dependent response to cavity resonance frequencies. Cavity tones excited the store in the streamwise and wall-normal directions consistently, whereas the spanwise response to cavity tones was much more limited. Increased surface area associated with tail fins raised vibration levels. The store had interchangeable components to vary its natural frequencies by about 10-300 Hz. By tuning natural frequencies, mode-matched cases were explored where a prominent cavity tone frequency matched a structural natural frequency of the store. Mode matching in the streamwise and wall-normal directions produced substantial increases in peak store vibrations, though the response of the store remained linear with dynamic pressure. Near mode-matched frequencies, changes in cavity tone frequencies of only 1% altered store peak vibrations by as much as a factor of two. Mode matching in the spanwise direction did little to increase vibrations. C1 [Wagner, Justin L.; Casper, Katya M.; Beresh, Steven J.; Hunter, Patrick S.; Spillers, Russell W.; Henfling, John F.] Sandia Natl Labs, Engn Sci Ctr, POB 5800,Mailstop 0825, Albuquerque, NM 87185 USA. RP Wagner, JL (reprint author), Sandia Natl Labs, Engn Sci Ctr, POB 5800,Mailstop 0825, Albuquerque, NM 87185 USA. EM jwagner@sandia.gov FU Sandia National Laboratories; U.S. Department of Energy; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work is supported by Sandia National Laboratories and the U.S. Department of Energy. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, which is a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors would like to acknowledge Michael Ross and Tyler Garret for providing structural design suggestions. In addition, the authors thank Srini Arunajatesen and Matthew Barone for helpful discussions on cavity flow physics, Randall Mayes for insight into structural response, and Tom Grasser for designing the cavity hardware. NR 24 TC 0 Z9 0 U1 1 U2 1 PU AMER INST AERONAUTICS ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 EI 1533-385X J9 AIAA J JI AIAA J. PD AUG PY 2016 VL 54 IS 8 BP 2351 EP 2360 DI 10.2514/1.J054688 PG 10 WC Engineering, Aerospace SC Engineering GA DT2EI UT WOS:000381293200013 ER PT J AU Riley, ZB Deshmukh, R Miller, BA McNamara, JJ Casper, KM AF Riley, Zachary B. Deshmukh, Rohit Miller, Brent A. McNamara, Jack J. Casper, Katya M. TI Characterization of Structural Response to Hypersonic Boundary-Layer Transition SO AIAA JOURNAL LA English DT Article ID SKIN PANELS; FLUCTUATING PRESSURE; GROUND TEST; ROUGHNESS; FLOW; PREDICTION; STABILIZATION; RECEPTIVITY; SIMULATION; STABILITY AB The inherent relationship between boundary-layer stability, aerodynamic heating, and surface conditions makes the potential for interaction between the structural response and boundary-layer transition an important and challenging area of study in high-speed flows. This paper phenomenologically explores this interaction using a fundamental two-dimensional aerothermoelastic model under the assumption of an aluminum panel with simple supports. Specifically, an existing model is extended to examine the impact of transition onset location, transition length, and transitional overshoot in heat flux and fluctuating pressure on the structural response of surface panels. Transitional flow conditions are found to yield significantly increased thermal gradients, and they can result in higher maximumpanel temperatures compared to turbulent flow. Results indicate that overshoot in heat flux and fluctuating pressure reduces the flutter onset time and increases the strain energy accumulated in the panel. Furthermore, overshoot occurring near the midchord can yield average temperatures and peak displacements exceeding those experienced by the panel subject to turbulent flow. These results suggest that fully turbulent flow does not always conservatively predict the thermo-structural response of surface panels. C1 [Riley, Zachary B.; Deshmukh, Rohit; Miller, Brent A.; McNamara, Jack J.] Ohio State Univ, Columbus, OH 43210 USA. [Casper, Katya M.] Sandia Natl Labs, Aerosci Dept, Albuquerque, NM 87185 USA. RP Riley, ZB (reprint author), Ohio State Univ, Columbus, OH 43210 USA. FU U.S. Department of Defense through a National Defense Science and Engineering Graduate Fellowship [32 CFR 168a]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This research was conducted with U.S. Government support by the U.S. Department of Defense through a National Defense Science and Engineering Graduate Fellowship (32 CFR 168a), the U.S. Air Force Research Laboratory/University Collaborative Center in Structural Sciences (AFRL/RQ cooperative agreement FA8650-13-2-2347) with Ravi Penmetsa as Program Manager, and through an allocation of computing time from the Ohio Super Computer Center. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, which is a wholly owned subsidiary of the Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 60 TC 0 Z9 0 U1 7 U2 8 PU AMER INST AERONAUTICS ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 EI 1533-385X J9 AIAA J JI AIAA J. PD AUG PY 2016 VL 54 IS 8 BP 2418 EP 2431 DI 10.2514/1.J054607 PG 14 WC Engineering, Aerospace SC Engineering GA DT2EI UT WOS:000381293200018 ER PT J AU Ray, J Lefantzi, S Arunajatesan, S Dechant, L AF Ray, Jaideep Lefantzi, Sophia Arunajatesan, Srinivasan Dechant, Lawrence TI Bayesian Parameter Estimation of a k-epsilon Model for Accurate Jet-in-Crossflow Simulations SO AIAA JOURNAL LA English DT Article ID TRANSVERSE SUPERSONIC JET; TURBULENT-FLOWS; REYNOLDS-NUMBER; VELOCIMETRY; CALIBRATION; EQUATIONS; PACKAGE AB Reynolds-averaged Navier-Stokes models are not very accurate for high-Reynolds-number compressible jet-in-crossflow interactions. The inaccuracy arises from the use of inappropriate model parameters and model-form errors in the Reynolds-averaged Navier-Stokes model. In this work, the hypothesis is pursued that Reynolds-averaged Navier-Stokes predictions can be significantly improved by using parameters inferred from experimental measurements of a supersonic jet interacting with a transonic crossflow. A Bayesian inverse problem is formulated to estimate three Reynolds-averaged Navier-Stokes parameters (C-mu,C-epsilon 2,C-epsilon 1), and a Markov chain Monte Carlo method is used to develop a probability density function for them. The cost of the Markov chain Monte Carlo is addressed by developing statistical surrogates for the Reynolds-averaged Navier-Stokes model. It is found that only a subset of the (C-mu,C-epsilon 2,C-epsilon 1) space R supports realistic flow simulations. R is used as a prior belief when formulating the inverse problem. It is enforced with a classifier in the current Markov chain Monte Carlo solution. It is found that the calibrated parameters improve predictions of the entire flowfield substantially when compared to the nominal/literature values of (C-mu,C-epsilon 2,C-epsilon 1); furthermore, this improvement is seen to hold for interactions at other Mach numbers and jet strengths for which the experimental data are available to provide a comparison. The residual error is quantifies, which is an approximation of the model-form error; it is most easily measured in terms of turbulent stresses. C1 [Ray, Jaideep; Lefantzi, Sophia] Sandia Natl Labs, Quantitat Modeling & Anal, MS 9159,MS 9152, Livermore, CA 94550 USA. [Arunajatesan, Srinivasan; Dechant, Lawrence] Sandia Natl Labs, Aerosci Dept, MS 0825, Albuquerque, NM 87185 USA. RP Ray, J (reprint author), Sandia Natl Labs, Quantitat Modeling & Anal, MS 9159,MS 9152, Livermore, CA 94550 USA. FU Sandia National Laboratories's Advanced Scientific Computing Verification and Validation program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by Sandia National Laboratories's Advanced Scientific Computing Verification and Validation program. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, which is a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. We thank Lawrence Livermore National Laboratory for computer time on the Sequoia supercomputer, which is a national user facility. NR 56 TC 0 Z9 0 U1 2 U2 2 PU AMER INST AERONAUTICS ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 EI 1533-385X J9 AIAA J JI AIAA J. PD AUG PY 2016 VL 54 IS 8 BP 2432 EP 2448 DI 10.2514/1.J054758 PG 17 WC Engineering, Aerospace SC Engineering GA DT2EI UT WOS:000381293200019 ER PT J AU Busa, KM Rice, BE McDaniel, JC Goyne, CP Rockwell, RD Fulton, JA Edwards, JR Diskin, GS AF Busa, Kristin M. Rice, Brian E. McDaniel, James C. Goyne, Christopher P. Rockwell, Robert D. Fulton, Jesse A. Edwards, Jack R. Diskin, Glenn S. TI Scramjet Combustion Efficiency Measurement via Tomographic Absorption Spectroscopy and Particle Image Velocimetry SO AIAA JOURNAL LA English DT Article ID DUAL-MODE SCRAMJET; DIODE-LASER ABSORPTION; PERFORMANCE AB The combustion efficiency of a scramjet is a metric that evaluates the overall performance of the engine. Until recently, combustion efficiency was measured using indirect approaches such as a one-dimensional control volume calculation or a calorimeter and wall pressure tap measurements. A novel nonintrusive direct approach for the measurement of combustion efficiency is presented that combines the optical diagnostic techniques tunable diode laser absorption tomography and stereoscopic particle image velocimetry. Experimental results are presented for measurements of the University of Virginia's Supersonic Combustion Facility in both the scram and ram-modes of operation. The tunablediode-laser-absorption-tomography/stereoscopic-particle-image-velocimetry method directly measures the converted hydrogen (via water vapor) mass flow rate exiting the dual-mode scramjet and compares this to the facility-measured injected hydrogen fuel mass flow rate. A complementary computational fluid dynamics study was performed and results are available for the scram-mode operating condition. The results reported show excellent agreement between the tunable-diode-laser-absorption-tomography/stereoscopic-particle-image-velocimetry-measured combustion efficiency and the computational-fluid-dynamics-predicted combustion efficiency for the scram-mode of operation, which are both near 99%. The tunable-diode-laser-absorption-tomography/stereoscopic-particle-image-velocimetry-measured combustion efficiency for the ram-mode of operation is shown to be lower than that of the scram-mode operation: at 79%. C1 [Busa, Kristin M.] US Air Force, Res Lab, High Speed Syst Div, AFRL RQHF, 2130 Eighth Street, Wright Patterson AFB, OH 45433 USA. [Rice, Brian E.] US Air Force, Res Lab, AFRL RQHX, High Speed Syst Div, 676 Second Street, Arnold AFB, TN 37389 USA. [McDaniel, James C.; Goyne, Christopher P.; Rockwell, Robert D.] Univ Virginia, Mech & Aerosp Engn, Charlottesville, VA 22904 USA. [Fulton, Jesse A.] Sandia Natl Labs, Aerosp Syst Anal, Mail Stop 1162,1515 Eubank, Albuquerque, NM 87185 USA. [Edwards, Jack R.] North Carolina State Univ, Mech & Aerosp Engn, Raleigh, NC 27695 USA. [Diskin, Glenn S.] NASA, Langley Res Ctr, Chem & Dynam Branch, Mail Stop 483, Hampton, VA 23681 USA. RP Busa, KM (reprint author), US Air Force, Res Lab, High Speed Syst Div, AFRL RQHF, 2130 Eighth Street, Wright Patterson AFB, OH 45433 USA. FU National Center for Hypersonic Combined Cycle Propulsion grant [FA9550-09-1-0611]; U.S. Air Force Office of Scientific Research; NASA [NNL11AB32P]; National Science Foundation FX This research was supported by the National Center for Hypersonic Combined Cycle Propulsion grant FA9550-09-1-0611, which was supported by NASA and the U.S. Air Force Office of Scientific Research (Richard Gaffney, Aaron Auslender, and Chiping Li as Technical Monitors); and by NASA contract NNL11AB32P (Richard Gaffney as Technical Monitor). K.M. Busa would like to acknowledge fellowship support from the National Science Foundation. The authors also thank Roger Reynolds for operation of the University of Virginia's Supersonic Combustion Facility and fabrication of the tunable diode laser absorption tomography hardware. NR 24 TC 1 Z9 1 U1 3 U2 3 PU AMER INST AERONAUTICS ASTRONAUTICS PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 EI 1533-385X J9 AIAA J JI AIAA J. PD AUG PY 2016 VL 54 IS 8 BP 2463 EP 2471 DI 10.2514/1.J054662 PG 9 WC Engineering, Aerospace SC Engineering GA DT2EI UT WOS:000381293200021 ER PT J AU Bartolo, I Calado, R Borrego, P Leitner, T Taveira, N AF Bartolo, Ines Calado, Rita Borrego, Pedro Leitner, Thomas Taveira, Nuno TI Rare HIV-1 Subtype J Genomes and a New H/U/CRF02_AG Recombinant Genome Suggests an Ancient Origin of HIV-1 in Angola SO AIDS RESEARCH AND HUMAN RETROVIRUSES LA English DT Article ID IMMUNODEFICIENCY-VIRUS TYPE-1; BRANCHING INDEX; EPIDEMIC; IDENTIFICATION; CRF13-CPX; CAMEROON; JPHMM AB Angola has an extremely diverse HIV-1 epidemic fueled in part by the frequent interchange of people with the Democratic Republic of Congo (DRC) and Republic of Congo (RC). Characterization of HIV-1 strains circulating in Angola should help to better understand the origin of HIV-1 subtypes and recombinant forms and their transmission dynamics. In this study we characterize the first near full-length HIV-1 genomic sequences from HIV-1 infected individuals from Angola. Samples were obtained in 1993 from three HIV-1 infected patients living in Cabinda, Angola. Near full-length genomic sequences were obtained from virus isolates. Maximum likelihood phylogenetic tree inference and analyses of potential recombination patterns were performed to evaluate the sequence classifications and origins. Phylogenetic and recombination analyses revealed that one virus was a pure subtype J, another mostly subtype J with a small uncertain region, and the final virus was classified as a H/U/CRF02_AG recombinant. Consistent with their epidemiological data, the subtype J sequences were more closely related to each other than to other J sequences previously published. Based on the env gene, taxa from Angola occur throughout the global subtype J phylogeny. HIV-1 subtypes J and H are present in Angola at low levels since at least 1993. Low transmission efficiency and/or high recombination potential may explain their limited epidemic success in Angola and worldwide. The high diversity of rare subtypes in Angola suggests that Angola was part of the early establishment of the HIV-1 pandemic. C1 [Bartolo, Ines; Calado, Rita; Borrego, Pedro; Taveira, Nuno] Univ Lisbon, Fac Pharm, Res Inst Med iMed ULisboa, Lisbon, Portugal. [Leitner, Thomas] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Los Alamos, NM USA. [Taveira, Nuno] Inst Super Ciencias Sau Egas Moniz, CiiEM, Caparica, Portugal. RP Taveira, N (reprint author), Univ Lisbon, Fac Farm, Inst Invest Medicamento iMed ULisboa, Ave Prof Gama Pinto, P-1649003 Lisbon, Portugal. EM ntaveira@ff.ul.pt RI Borrego, Pedro/H-6968-2013; Taveira, Nuno/A-6252-2014; Bartolo, Ines/A-7477-2014; iMed.ULisboa, iMed.ULisboa/C-6292-2014; iMed.ULisboa, EEPHIV /B-4222-2014 OI Borrego, Pedro/0000-0002-1949-9484; Taveira, Nuno/0000-0003-0176-5585; Bartolo, Ines/0000-0002-2022-8921; FU Fundacao para a Ciencia e a Tecnologia (FCT), Portugal [PTDC/SAU-EPI/122400/2010, SFRH/BD/70715/2010, SFRH/BPD/76225/2011]; European Union; National Institutes of Health (NIH), USA [R01AI087520] FX Financial support for this research was provided by the Fundacao para a Ciencia e a Tecnologia (FCT), Portugal (project PTDC/SAU-EPI/122400/2010), part of the EDCTP2 program supported by the European Union. Rita Calado is supported by Fundacao para a Ciencia e a Tecnologia (FCT), Portugal (grant no. SFRH/BD/70715/2010). I.B. was supported by the Fundacao para a Ciencia e a Tecnologia (FCT), Portugal (grant no. SFRH/BPD/76225/2011). Thomas Leitner was supported by the National Institutes of Health (NIH), USA (grant no. R01AI087520). NR 23 TC 2 Z9 2 U1 4 U2 4 PU MARY ANN LIEBERT, INC PI NEW ROCHELLE PA 140 HUGUENOT STREET, 3RD FL, NEW ROCHELLE, NY 10801 USA SN 0889-2229 EI 1931-8405 J9 AIDS RES HUM RETROV JI Aids Res. Hum. Retrovir. PD AUG PY 2016 VL 32 IS 8 BP 822 EP 828 DI 10.1089/aid.2016.0084 PG 7 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA DS1ZS UT WOS:000380504800013 PM 27098898 ER PT J AU Cowperthwaite, PS Berger, E Soares-Santos, M Annis, J Brout, D Brown, DA Buckley-Geer, E Cenko, SB Chen, HY Chornock, R Diehl, HT Doctor, Z Drlica-Wagner, A Drout, MR Farr, B Finley, DA Foley, RJ Fong, W Fox, DB Frieman, J Garcia-Bellido, J Gill, MSS Gruendl, RA Herner, K Holz, DE Kasen, D Kessler, R Lin, H Margutti, R Marriner, J Matheson, T Metzger, BD Neilsen, EH Quataert, E Rest, A Sako, M Scolnic, D Smith, N Sobreira, F Strampelli, GM Villar, VA Walker, AR Wester, W Williams, PKG Yanny, B Abbott, TMC Abdalla, FB Allam, S Armstrong, R Bechtol, K Benoit-Levy, A Bertin, E Brooks, D Burke, DL Rosell, AC Kind, MC Carretero, J Castander, FJ Cunha, CE D'Andrea, CB da Costa, LN Desai, S Dietrich, JP Evrard, AE Neto, AF Fosalba, P Gerdes, DW Giannantonio, T Goldstein, DA Gruen, D Gutierrez, G Honscheid, K James, DJ Johnson, MWG Johnson, MD Krause, E Kuehn, K Kuropatkin, N Lima, M Maia, MAG Marshall, JL Menanteau, F Miquel, R Mohr, JJ Nichol, RC Nord, B Ogando, R Plazas, AA Reil, K Romer, AK Sanchez, E Scarpine, V Sevilla-Noarbe, I Smith, RC Suchyta, E Tarle, G Thomas, D Thomas, RC Tucker, DL Weller, J AF Cowperthwaite, P. S. Berger, E. Soares-Santos, M. Annis, J. Brout, D. Brown, D. A. Buckley-Geer, E. Cenko, S. B. Chen, H. Y. Chornock, R. Diehl, H. T. Doctor, Z. Drlica-Wagner, A. Drout, M. R. Farr, B. Finley, D. A. Foley, R. J. Fong, W. Fox, D. B. Frieman, J. Garcia-Bellido, J. Gill, M. S. S. Gruendl, R. A. Herner, K. Holz, D. E. Kasen, D. Kessler, R. Lin, H. Margutti, R. Marriner, J. Matheson, T. Metzger, B. D. Neilsen, E. H., Jr. Quataert, E. Rest, A. Sako, M. Scolnic, D. Smith, N. Sobreira, F. Strampelli, G. M. Villar, V. A. Walker, A. R. Wester, W. Williams, P. K. G. Yanny, B. Abbott, T. M. C. Abdalla, F. B. Allam, S. Armstrong, R. Bechtol, K. Benoit-Levy, A. Bertin, E. Brooks, D. Burke, D. L. Carnero Rosell, A. Kind, M. Carrasco Carretero, J. Castander, F. J. Cunha, C. E. D'Andrea, C. B. da Costa, L. N. Desai, S. Dietrich, J. P. Evrard, A. E. Fausti Neto, A. Fosalba, P. Gerdes, D. W. Giannantonio, T. Goldstein, D. A. Gruen, D. Gutierrez, G. Honscheid, K. James, D. J. Johnson, M. W. G. Johnson, M. D. Krause, E. Kuehn, K. Kuropatkin, N. Lima, M. Maia, M. A. G. Marshall, J. L. Menanteau, F. Miquel, R. Mohr, J. J. Nichol, R. C. Nord, B. Ogando, R. Plazas, A. A. Reil, K. Romer, A. K. Sanchez, E. Scarpine, V. Sevilla-Noarbe, I. Smith, R. C. Suchyta, E. Tarle, G. Thomas, D. Thomas, R. C. Tucker, D. L. Weller, J. CA DES Collaboration TI A DECAM SEARCH FOR AN OPTICAL COUNTERPART TO THE LIGO GRAVITATIONAL-WAVE EVENT GW151226 SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE binaries: close; catalogs; gravitational waves; stars: neutron; surveys ID ENERGY CAMERA SEARCH; FOLLOW-UP; SUPERNOVA RATES; IA SUPERNOVAE; GW150914; CURVES; PHOTOMETRY; PAN-STARRS1; AFTERGLOWS; LMC AB We report the results of a Dark Energy Camera optical follow-up of the gravitational-wave (GW) event GW151226, discovered by the Advanced Laser Interferometer Gravitational-wave Observatory detectors. Our observations cover 28.8 deg(2) of the localization region in the i and z bands (containing 3% of the BAYESTAR localization probability), starting 10 hr after the event was announced and spanning four epochs at 2-24 days after the GW detection. We achieve 5 sigma point-source limiting magnitudes of i approximate to 21.7 and z approximate to 21.5, with a scatter of 0.4 mag, in our difference images. Given the two-day delay, we search this area for a rapidly declining optical counterpart with greater than or similar to 3 sigma significance steady decline between the first and final observations. We recover four sources that pass our selection criteria, of which three are cataloged active galactic nuclei. The fourth source is offset by 5.8 arcsec from the center of a galaxy at a distance of 187 Mpc, exhibits a rapid decline by 0.5 mag over 4 days, and has a red color of i - z approximate to 0.3 mag. These properties could satisfy a set of cuts designed to identify kilonovae. However, this source was detected several times, starting 94 days prior to GW151226, in the Pan-STARRS Survey for Transients (dubbed as PS15cdi) and is therefore unrelated to the GW event. Given its long-term behavior, PS15cdi is likely a Type IIP supernova that transitioned out of its plateau phase during our observations, mimicking a kilonova-like behavior. We comment on the implications of this detection for contamination in future optical follow-up observations. C1 [Cowperthwaite, P. S.; Berger, E.; Drout, M. R.; Villar, V. A.; Williams, P. K. G.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Soares-Santos, M.; Annis, J.; Buckley-Geer, E.; Diehl, H. T.; Drlica-Wagner, A.; Finley, D. A.; Frieman, J.; Herner, K.; Lin, H.; Marriner, J.; Neilsen, E. H., Jr.; Wester, W.; Yanny, B.; Allam, S.; Gutierrez, G.; Kuropatkin, N.; Nord, B.; Scarpine, V.; Tucker, D. L.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Brout, D.; Sako, M.; Suchyta, E.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Brown, D. A.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Cenko, S. B.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, 8800 Greenbelt Rd, Greenbelt, MD 20771 USA. [Cenko, S. B.] Univ Maryland, Joint Space Sci Inst, College Pk, MD 20742 USA. [Chen, H. Y.; Doctor, Z.; Frieman, J.; Kessler, R.; Scolnic, D.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Chornock, R.] Ohio Univ, Dept Phys & Astron, Inst Astrophys, Clippinger Lab 251B, Athens, OH 45701 USA. [Farr, B.; Holz, D. E.] Univ Chicago, Dept Astron & Astrophys, Dept Phys, Enrico Fermi Inst, Chicago, IL 60637 USA. [Farr, B.; Holz, D. E.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Foley, R. J.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Foley, R. J.; Gruendl, R. A.; Kind, M. Carrasco; Menanteau, F.] Univ Illinois, Dept Astron, 1002 W Green St, Urbana, IL 61801 USA. [Foley, R. J.] Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. [Fong, W.; Smith, N.] Univ Arizona, Steward Observ, 933 N Cherry Ave, Tucson, AZ 85721 USA. [Fox, D. B.] Penn State Univ, Ctr Gravitat Wave & Particle Astrophys, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA. [Fox, D. B.] Penn State Univ, Ctr Theoret & Observat Cosmol, 525 Davey Lab, University Pk, PA 16802 USA. [Garcia-Bellido, J.] Univ Autonoma Madrid, CSIC, Inst Fis Teor UAM, E-28049 Madrid, Spain. [Burke, D. L.; Cunha, C. E.; Gruen, D.; Krause, E.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, POB 2450, Stanford, CA 94305 USA. [Gill, M. S. S.; Burke, D. L.; Gruen, D.; Reil, K.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Gruendl, R. A.; Kind, M. Carrasco; Johnson, M. W. G.; Johnson, M. D.; Menanteau, F.] Natl Ctr Supercomputing Applicat, 1205 West Clark St, Urbana, IL 61801 USA. [Kasen, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94704 USA. [Kasen, D.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94704 USA. [Kasen, D.; Goldstein, D. A.; Thomas, R. C.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Margutti, R.] NYU, Ctr Cosmol & Particle Phys, 4 Washington Pl, New York, NY 10003 USA. [Matheson, T.] Natl Opt Astron Observ, 950 North Cherry Ave, Tucson, AZ 85719 USA. [Metzger, B. D.] Columbia Univ, Columbia Astrophys Lab, Pupin Hall, New York, NY 10027 USA. [Quataert, E.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Quataert, E.] Univ Calif Berkeley, Theoret Astrophys Ctr, Berkeley, CA 94720 USA. [Rest, A.; Strampelli, G. M.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA. [Sobreira, F.] Univ Estadual Paulista, Fundamental Res Inst Fis Teor, ICTP South Amer Inst, Sao Paulo, Brazil. [Sobreira, F.; Carnero Rosell, A.; da Costa, L. N.; Fausti Neto, A.; Lima, M.] Lab Interinst E Astron LIneA, Rua Gal Jose Cristino 77, Rio De Janeiro, RJ, Brazil. [Walker, A. R.; Abbott, T. M. C.; Brooks, D.; James, D. J.; Smith, R. C.] Natl Opt Astron Observ, Cerro Tololo Inter Amer Observ, Casilla 603, La Serena, Chile. [Benoit-Levy, A.; Carnero Rosell, A.] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. [Abdalla, F. B.] Rhodes Univ, Dept Phys & Elect, POB 94, ZA-6140 Grahamstown, South Africa. [Armstrong, R.] Princeton Univ, Dept Astrophys Sci, Peyton Hall, Princeton, NJ 08544 USA. [Bechtol, K.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Bechtol, K.] Univ Wisconsin, Wisconsin IceCube Particle Astrophys Ctr, Madison, WI 53706 USA. [Benoit-Levy, A.; Bertin, E.] CNRS, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Benoit-Levy, A.; Bertin, E.] Univ Paris 06, Sorbonne Univ, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Carnero Rosell, A.; da Costa, L. N.; Maia, M. A. G.; Ogando, R.] Observ Nacl, Rua Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Carretero, J.; Castander, F. J.; Fosalba, P.] IEEC CSIC, Inst Ciencies Espai, Campus UAB,Carrer Can Magrans S-N, E-08193 Barcelona, Spain. [Carretero, J.; Miquel, R.] Barcelona Inst Sci & Technol, IFAE, Campus UAB, E-08193 Barcelona, Spain. [D'Andrea, C. B.; Nichol, R. C.; Thomas, D.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [D'Andrea, C. B.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Desai, S.; Dietrich, J. P.; Mohr, J. J.] Univ Munich, Fac Phys, Scheinerstr 1, D-81679 Munich, Germany. [Desai, S.; Dietrich, J. P.; Mohr, J. J.; Weller, J.] Excellence Cluster Universe, Boltzmannstr 2, D-85748 Garching, Germany. [Evrard, A. E.; Gerdes, D. W.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Evrard, A. E.; Gerdes, D. W.; Suchyta, E.; Tarle, G.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Giannantonio, T.] Univ Cambridge, Inst Astron, Madingley Rd, Cambridge CB3 0HA, England. [Giannantonio, T.] Univ Cambridge, Kavli Inst Cosmol, Madingley Rd, Cambridge CB3 0HA, England. [Goldstein, D. A.] Univ Calif Berkeley, Dept Astron, 501 Campbell Hall, Berkeley, CA 94720 USA. [Honscheid, K.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Honscheid, K.] Ohio State Univ, Dept Phys, 174 W 18th Ave, Columbus, OH 43210 USA. [Kuehn, K.] Australian Astron Observ, N Ryde, NSW 2113, Australia. [Lima, M.] Univ Sao Paulo, Inst Fis, Dept Fis Matemat, CP 66318, BR-05314970 Sao Paulo, SP, Brazil. [Marshall, J. L.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA. [Marshall, J. L.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Miquel, R.] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [Mohr, J. J.; Weller, J.] Max Planck Inst Extraterr Phys, Giessenbachstr, D-85748 Garching, Germany. [Plazas, A. A.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Romer, A. K.] Univ Sussex, Dept Phys & Astron, Pevensey Bldg, Brighton BN1 9QH, E Sussex, England. [Sanchez, E.; Sevilla-Noarbe, I.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Cowperthwaite, P. S.; Weller, J.] Univ Munich, Univ Sternwarte, Fak Phys, Scheinerstr 1, D-81679 Munich, Germany. RP Cowperthwaite, PS (reprint author), Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA.; Cowperthwaite, PS (reprint author), Univ Munich, Univ Sternwarte, Fak Phys, Scheinerstr 1, D-81679 Munich, Germany. EM pcowpert@cfa.harvard.edu RI Lima, Marcos/E-8378-2010; Ogando, Ricardo/A-1747-2010; OI Ogando, Ricardo/0000-0003-2120-1154; Cowperthwaite, Philip/0000-0002-2478-6939; Garcia-Bellido, Juan/0000-0002-9370-8360; Abdalla, Filipe/0000-0003-2063-4345; Sobreira, Flavia/0000-0002-7822-0658; Neilsen, Eric/0000-0002-7357-0317 FU NSF through the Graduate Research Fellowship Program [DGE1144152]; NSF [AST-1518052, AST-1138766]; Alfred P. Sloan Foundation; NSF CAREER [PHY-1151836]; Kavli Institute for Cosmological Physics at the University of Chicago through NSF [PHY-1125897]; FAS Division of Science, Research Computing Group at Harvard University; National Aeronautics and Space Administration; DOE; NSF (USA); MEC/MICINN/MINECO (Spain); STFC (UK); HEFCE (UK); MINECO [AYA2012-39559, ESP2013-48274, FPA2013-47986]; Centro de Excelencia Severo Ochoa [SEV-2012-0234]; ERC under the EU's 7th Framework Programme [ERC 240672, 291329, 306478] FX P.S.C. is grateful for support provided by the NSF through the Graduate Research Fellowship Program, grant DGE1144152. R. J.F. gratefully acknowledges support from NSF grant AST-1518052 and the Alfred P. Sloan Foundation. D.E.H. was supported by NSF CAREER grant PHY-1151836. He also acknowledges support from the Kavli Institute for Cosmological Physics at the University of Chicago through NSF grant PHY-1125897 as well as an endowment from the Kavli Foundation.r This research uses services or data provided by the NOAO Science Archive. NOAO is operated by the Association of Universities for Research in Astronomy (AURA), Inc. under a cooperative agreement with the National Science Foundation. The computations in this Letter were run on the Odyssey cluster supported by the FAS Division of Science, Research Computing Group at Harvard University. This research has made use of the NASA/IPAC Extragalactic Database (NED), which is operated by the Jet Propulsion Laboratory, California Institute of Technology, under contract with the National Aeronautics and Space Administration. Light curve data for PS15cdi were obtained from The Open Supernova Catalog (Guillochon et al. 2016). Some of the results in this Letter have been derived using the HEALPix package (Gorski et al. 2005).r Funding for the DES Projects has been provided by the DOE and NSF (USA), MEC/MICINN/MINECO (Spain), STFC (UK), HEFCE (UK). NCSA (UIUC), KICP (U. Chicago), CCAPP (Ohio State), MIFPA (Texas A&M), CNPQ, FAPERJ, FINEP (Brazil), DFG (Germany) and the Collaborating Institutions in the Dark Energy Survey.r The DES Data Management System is supported by the NSF under grant number AST-1138766. The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2012-39559, ESP2013-48274, FPA2013-47986, and Centro de Excelencia Severo Ochoa SEV-2012-0234. Research leading to these results has received funding from the ERC under the EU's 7th Framework Programme including grants ERC 240672, 291329, and 306478. NR 45 TC 3 Z9 3 U1 3 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD AUG 1 PY 2016 VL 826 IS 2 AR L29 DI 10.3847/2041-8205/826/2/L29 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DT2TN UT WOS:000381334800013 ER PT J AU Ragsdale, V Li, HZ Sant, H Ameel, T Gale, BK AF Ragsdale, Victoria Li, Huizhong Sant, Himanshu Ameel, Tim Gale, Bruce K. TI A disposable, continuous-flow polymerase chain reaction device: design, fabrication and evaluation SO BIOMEDICAL MICRODEVICES LA English DT Article DE PCR; Microfluidics; Continuous flow; Heat transfer; Polycarbonate ID REACTION AMPLIFICATION; REACTION MICROCHIP; ANTHRAX SPORES; PCR; DNA; CHIP; GRADIENT; AIR AB Polymerase Chain Reaction (PCR) is used to amplify a specific segment of DNA through a thermal cycling protocol. The PCR industry is shifting its focus away from macro-scale systems and towards micro-scale devices because: micro-scale sample sizes require less blood from patients, total reaction times are on the order of minutes opposed to hours, and there are cost advantages as many microfluidic devices are manufactured from inexpensive polymers. Some of the fastest PCR devices use continuous flow, but they have all been built of silicon or glass to allow sufficient heat transfer. This article presents a disposable polycarbonate ( PC) device that is capable of achieving real-time, continuous flow PCR in a completely disposable polymer device in less than 13 minutes by thermally cycling the sample through an established temperature gradient in a serpentine channel. The desired temperature gradient was determined through simulations and validated by experiments which showed that PCR was achieved. Practical demonstration included amplification of foot-and-mouth disease virus (FMDV) derived cDNA. C1 [Ragsdale, Victoria] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Li, Huizhong; Sant, Himanshu; Ameel, Tim; Gale, Bruce K.] Univ Utah, Dept Mech Engn, 1495 E 100 S Room 1550 MEK, Salt Lake City, UT 84112 USA. RP Gale, BK (reprint author), Univ Utah, Dept Mech Engn, 1495 E 100 S Room 1550 MEK, Salt Lake City, UT 84112 USA. EM bruce.gale@utah.edu FU Indian Immunological Ltd., Hyderabad, India FX This study was partially funded by Indian Immunological Ltd., Hyderabad, India. NR 27 TC 0 Z9 0 U1 13 U2 13 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1387-2176 EI 1572-8781 J9 BIOMED MICRODEVICES JI Biomed. Microdevices PD AUG PY 2016 VL 18 IS 4 AR 62 DI 10.1007/s10544-016-0091-x PG 9 WC Engineering, Biomedical; Nanoscience & Nanotechnology SC Engineering; Science & Technology - Other Topics GA DS9QE UT WOS:000381117500010 PM 27393216 ER PT J AU Mills, E AF Mills, Evan TI Job creation and energy savings through a transition to modern off-grid lighting SO ENERGY FOR SUSTAINABLE DEVELOPMENT LA English DT Article DE Lighting; Kerosene; Renewable energy; Energy efficiency; Job creation AB A market transformation from inefficient and polluting fuel-based lighting to solar-LED systems is well underway across the developing world, but the extent of net job creation has not previously been defined. This article finds that current employment associated with fuel-based lighting represents approximately 150,000 jobs. New jobs will accompany the replacement technologies. A survey of major solar-LED lighting companies finds that 38 such jobs are created for each 10,000 people living off-grid for whom stand-alone solar-LED lights are suitable. Applying this metric, the number of new jobs already created from the current uptake of solar-LED lighting has matched that of fuel-based lighting and foreshadows the potential creation of 2 million new jobs to fully serve the 112 million households globally that currently lack electricity access, are unlikely to be connected to the major grid, micro-grids, or are able to afford more extensive solar systems. A likely greater number of additional jobs and employment income will be indirectly created or preserved via indirect employment, re-spending of energy savings, conservation of foreign exchange, enhanced literacy, and improved working conditions. In contrast, central grid expansion is unlikely to provide any net increase in jobs. The case of solar-LED lighting demonstrates that policymakers have tools to increase the pace of in-country job creation in the context of sustainable development, while minimizing job displacement, and improving the quality of employment. These tools include stimuli for domestic manufacturing or assembly of products; supporting peripheral businesses and services, such as training, recycling, financing, and impact assessment; and removing market barriers that slow the uptake of emerging technologies. (C) 2016 International Energy Initiative. Published by Elsevier Inc. All rights reserved. C1 [Mills, Evan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, MS 90-2058, Berkeley, CA 94720 USA. RP Mills, E (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, MS 90-2058, Berkeley, CA 94720 USA. FU Germany's Federal Ministry for Economic Co-operation and Development (BMZ); Rosenfeld Fund of the Blum Center for Developing Economies through the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State and Community Programs; Rosenfeld Fund of the Blum Center for Developing Economies of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Rosenfeld Fund of the Blum Center for Developing Economies, through the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Building Technology, State and Community Programs, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. Early research for UNEP's en.lighten initiative focusing on the ECOWAS region was supported by Germany's Federal Ministry for Economic Co-operation and Development (BMZ). Comments and insights were provided by two anonymous reviewers and Martin Bachler and Gerhard Mair (Osram), Johanna Diecker (GOGLA), Moustapha Kamal Gueye (International Labor Organization), Kat Harisson (Solar Aid), Julia Ploetz and Anja Rohde (GIZ), Ibrahim Soumaila (ECREEE), and Kathryn Conway and Olola Vieyra (UNEP). NR 38 TC 0 Z9 0 U1 3 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0973-0826 J9 ENERGY SUSTAIN DEV JI Energy Sustain Dev. PD AUG PY 2016 VL 33 BP 155 EP 166 DI 10.1016/j.esd.2016.06.001 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DT7VP UT WOS:000381696600015 ER PT J AU Camarillo, MK Weissmann, GA Gulati, S Herr, J Sheeder, S Stringfellow, WT AF Camarillo, Mary Kay Weissmann, Gregory A. Gulati, Shelly Herr, Joel Sheeder, Scott Stringfellow, William T. TI Pairing high-frequency data with a link-nodemodel tomanage dissolved oxygen impairment in a dredged estuary SO ENVIRONMENTAL MONITORING AND ASSESSMENT LA English DT Article DE San Joaquin River; Estuary; Dissolved oxygen; Water quality; TMDL; California; Models ID WATER-QUALITY MODELS; SAN-JOAQUIN RIVER; CHESAPEAKE BAY; EUTROPHICATION; SIMULATION; CALIFORNIA; DYNAMICS; HYPOXIA; DEMAND; SYSTEM AB High-frequency data and a link-node model were used to investigate the relative importance of mass loads of oxygen-demanding substances and channel geometry on recurrent low dissolved oxygen (DO) in the San Joaquin River Estuary in California. The model was calibrated using 6 years of data. The calibratedmodel was then used to determine the significance of the following factors on low DO: excavation of the river to allow navigation of large vessels, non-point source pollution from the agricultural watershed, effluent from a wastewater treatment plant, and non-point source pollution from an urban area. An alternative metric for low DO, excess net oxygen demand (ENOD), was applied to better characterize DO impairment. Model results indicate that the dredged ship channel had the most significant effect on DO (62% fewer predicted hourly DO violations), followed by mass load inputs from the watershed (52 % fewer predicted hourly DO violations). Model results suggest that elimination of any one factor will not completely resolve DO impairment and that continued use of supplemental aeration is warranted. Calculation of ENOD proved more informative than the sole use of DO. Application of the simple model allowed for interpretation of the extensive data collected. The current monitoring program could be enhanced by additional monitoring stations that would provide better volumetric estimates of low DO. C1 [Camarillo, Mary Kay; Weissmann, Gregory A.; Gulati, Shelly; Stringfellow, William T.] Univ Pacific, Sch Engn & Comp Sci, Ecol Engn Res Program, 3601 Pacific Ave, Stockton, CA 95211 USA. [Herr, Joel; Sheeder, Scott] Systech Water Resources Inc, 1200 Mt Diablo Blvd,Suite 102, Walnut Creek, CA 94596 USA. [Stringfellow, William T.] Lawrence Berkeley Natl Lab, Earth & Environm Sci Area, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Camarillo, MK (reprint author), Univ Pacific, Sch Engn & Comp Sci, Ecol Engn Res Program, 3601 Pacific Ave, Stockton, CA 95211 USA. EM mcamarillo@pacific.edu RI Stringfellow, William/O-4389-2015 OI Stringfellow, William/0000-0003-3189-5604 FU Ecosystem Restoration Program; California Department of Fish and Wildlife, U.S. Fish and Wildlife Service [E0883006, ERP-08D-SO3]; National Marine Fisheries Service [E0883006, ERP-08D-SO3] FX We gratefully acknowledge the Ecosystem Restoration Program and its implementing agencies (California Department of Fish and Wildlife, U.S. Fish and Wildlife Service, and the National Marine Fisheries Service) for supporting this project (E0883006, ERP-08D-SO3). We also acknowledge Jeremy Domen, Ernest Garcia, Jeremy Hanlon, Michael Jue, Chelsea Spier, and Ashley Stubblefield of the Ecological Engineering Research Program for their assistance in the field and in the laboratory. NR 67 TC 0 Z9 0 U1 6 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-6369 EI 1573-2959 J9 ENVIRON MONIT ASSESS JI Environ. Monit. Assess. PD AUG PY 2016 VL 188 IS 8 AR 455 DI 10.1007/s10661-016-5458-1 PG 18 WC Environmental Sciences SC Environmental Sciences & Ecology GA DT0AH UT WOS:000381144300012 PM 27393195 ER PT J AU Bond-Lamberty, B Smith, AP Bailey, V AF Bond-Lamberty, Ben Smith, A. Peyton Bailey, Vanessa TI Running an open experiment: transparency and reproducibility in soil and ecosystem science SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE open data; soil science; reproducible research; open science ID GLOBAL DATABASE; ECOLOGY; REPEATABILITY; GENOME AB Researchers in soil and ecosystem science, and almost every other field, are being pushed-by funders, journals, governments, and their peers-to increase transparency and reproducibility of their work. A key part of this effort is a move towards open data as a way to fight post-publication data loss, improve data and code quality, enable powerful meta-and cross-disciplinary analyses, and increase trust in, and the efficiency of, publicly-funded research. Many scientists however lack experience in, and may be unsure of the benefits of, making their data and fully-reproducible analyses publicly available. Here we describe a recent 'open experiment', in which we documented every aspect of a soil incubation online, making all raw data, scripts, diagnostics, final analyses, and manuscripts available in real time. We found that using tools such as version control, issue tracking, and open-source statistical software improved data integrity, accelerated our team's communication and productivity, and ensured transparency. There are many avenues to improve scientific reproducibility and data availability, of which is this only one example, and it is not an approach suited for every experiment or situation. Nonetheless, we encourage the communities in our respective fields to consider its advantages, and to lead rather than follow with respect to scientific reproducibility, transparency, and data availability. C1 [Bond-Lamberty, Ben] US DOE, Joint Global Change Res Inst, Northwest Natl Lab, College Pk, MD 20740 USA. [Smith, A. Peyton; Bailey, Vanessa] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA USA. RP Bond-Lamberty, B (reprint author), US DOE, Joint Global Change Res Inst, Northwest Natl Lab, College Pk, MD 20740 USA. EM bondlamberty@pnnl.gov RI Bond-Lamberty, Ben/C-6058-2008; OI Bond-Lamberty, Ben/0000-0001-9525-4633; Smith, A. Peyton /0000-0003-1753-9398 FU Office of Science of the US Department of Energy as part of the Terrestrial Ecosystem Sciences Program; DOE [DE-AC05-76RL01830] FX This research was supported by the Office of Science of the US Department of Energy as part of the Terrestrial Ecosystem Sciences Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC05-76RL01830. NR 33 TC 1 Z9 1 U1 5 U2 15 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 AUG PY 2016 VL 11 IS 8 AR 084004 DI 10.1088/1748-9326/11/8/084004 PG 7 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DT9NH UT WOS:000381828300005 ER PT J AU Zhang, JC Zhang, K Liu, JF Ban-Weiss, G AF Zhang, Jiachen Zhang, Kai Liu, Junfeng Ban-Weiss, George TI Revisiting the climate impacts of cool roofs around the globe using an Earth system model SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE cool roof; urban heat island effect; global climate; CESM; albedo ID COMMUNITY ATMOSPHERE MODEL; HEAT-ISLAND MITIGATION; URBAN PARAMETERIZATION; AIR-QUALITY; PART I; SIMULATIONS; SENSITIVITY; LAND; CONVECTION; AEROSOLS AB Solar reflective 'cool roofs' absorb less sunlight than traditional dark roofs, reducing solar heat gain, and decreasing the amount of heat transferred to the atmosphere. Widespread adoption of cool roofs could therefore reduce temperatures in urban areas, partially mitigating the urban heat island effect, and contributing to reversing the local impacts of global climate change. The impacts of cool roofs on global climate remain debated by past research and are uncertain. Using a sophisticated Earth system model, the impacts of cool roofs on climate are investigated at urban, continental, and global scales. We find that global adoption of cool roofs in urban areas reduces urban heat islands everywhere, with an annual-and global-mean decrease from 1.6 to 1.2 K. Decreases are statistically significant, except for some areas in Africa and Mexico where urban fraction is low, and some high-latitude areas during wintertime. Analysis of the surface and TOA energy budget in urban regions at continental-scale shows cool roofs causing increases in solar radiation leaving the Earth-atmosphere system in most regions around the globe, though the presence of aerosols and clouds are found to partially offset increases in upward radiation. Aerosols dampen cool roof-induced increases in upward solar radiation, ranging from 4% in the United States to 18% in more polluted China. Adoption of cool roofs also causes statistically significant reductions in surface air temperatures in urbanized regions of China (-0.11 +/- 0.10 K) and the United States (-0.14 +/- 0.12 K); India and Europe show statistically insignificant changes. Though past research has disagreed on whether widespread adoption of cool roofs would cool or warm global climate, these studies have lacked analysis on the statistical significance of global temperature changes. The research presented here indicates that adoption of cool roofs around the globe would lead to statistically insignificant reductions in global mean air temperature (-0.0021 +/- 0.026 K). Thus, we suggest that while cool roofs are an effective tool for reducing building energy use in hot climates, urban heat islands, and regional air temperatures, their influence on global climate is likely negligible. C1 [Zhang, Jiachen; Ban-Weiss, George] Univ Southern Calif, Dept Civil & Environm Engn, Los Angeles, CA 90089 USA. [Zhang, Kai] Pacific Northwest Natl Lab, Richland, WA USA. [Liu, Junfeng] Peking Univ, Coll Urban & Environm Sci, Lab Earth Surface Proc, Beijing, Peoples R China. RP Ban-Weiss, G (reprint author), Univ Southern Calif, Dept Civil & Environm Engn, Los Angeles, CA 90089 USA. EM banweiss@usc.edu RI Zhang, Kai/F-8415-2010; OI Zhang, Kai/0000-0003-0457-6368; Ban-Weiss, George/0000-0001-8211-2628 FU National Science Foundation [CBET-1512429]; University of Southern California's Center for High-Performance Computing; Office of Science of US Department of Energy as part of the Earth System Modeling Program; DOE [DE-AC06-76RLO 1830] FX This research was supported by the National Science Foundation under grant CBET-1512429. A portion of the computation for the work described in this paper was supported by the University of Southern California's Center for High-Performance Computing (hpc.usc.edu). We thank Pouya Vahmani, Arash Mohegh, Trevor Krasowsky, Mohammad Taleghani, Jing Meng, Yan Xia, and Wei Tao for their helpful suggestions. Computational resources at the Pacific Northwest National Laboratory were provided by the PNNL Institutional Computing (PIC). Kai Zhang was supported by the Office of Science of US Department of Energy as part of the Earth System Modeling Program. The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 45 TC 0 Z9 0 U1 9 U2 11 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 AUG PY 2016 VL 11 IS 8 AR 084014 DI 10.1088/1748-9326/11/8/084014 PG 12 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DT9NH UT WOS:000381828300015 ER PT J AU Seviour, R Shiffler, D Jelonnek, J Grabowski, C Hemmady, S Ang, RLK AF Seviour, Rebecca Shiffler, Don Jelonnek, John Grabowski, Chris Hemmady, Sameer Ang, Ricky L. K. TI The Sixteenth Special Issue on High-Power Microwave Generation SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Editorial Material C1 [Seviour, Rebecca] Univ Huddersfield, Sch Engn, Huddersfield HD1 3DH, W Yorkshire, England. [Shiffler, Don] Air Force Res Lab, High Power Microwave Div, Directed Energy Directorate, Kirtland AFB, NM 87117 USA. [Jelonnek, John] Karlsruhe Inst Technol, Inst Pulsed Power & Microwave Technol IHM, D-76344 Karlsruhe, Germany. [Grabowski, Chris] Sandia Natl Labs, AGT Accelerator Operat, Albuquerque, NM 87190 USA. [Hemmady, Sameer] XL Sci, Albuquerque, NM 87110 USA. [Ang, Ricky L. K.] Singapore Univ Technol & Design, Singapore 487372, Singapore. RP Seviour, R (reprint author), Univ Huddersfield, Sch Engn, Huddersfield HD1 3DH, W Yorkshire, England. NR 0 TC 0 Z9 0 U1 2 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 EI 1939-9375 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD AUG PY 2016 VL 44 IS 8 BP 1257 EP 1257 DI 10.1109/TPS.2016.2593158 PN 1 PG 1 WC Physics, Fluids & Plasmas SC Physics GA DU0KW UT WOS:000381893900001 ER PT J AU Hatcher, CL Mott, TM Muruato, LA Sbrana, E Torres, AG AF Hatcher, Christopher L. Mott, Tiffany M. Muruato, Laura A. Sbrana, Elena Torres, Alfredo G. TI Burkholderia mallei CLH001 Attenuated Vaccine Strain Is Immunogenic and Protects against Acute Respiratory Glanders SO INFECTION AND IMMUNITY LA English DT Article ID BALB/C MICE; PSEUDOMALLEI; SECRETION; INFECTION; MODEL AB Burkholderia mallei is the causative agent of glanders, an incapacitating disease with high mortality rates in respiratory cases. Its endemicity and ineffective treatment options emphasize its public health threat and highlight the need for a vaccine. Live attenuated vaccines are considered the most viable vaccine strategy for Burkholderia, but single-gene-deletion mutants have not provided complete protection. In this study, we constructed the select-agent-excluded B. mallei Delta tonB Delta hcp1 (CLH001) vaccine strain and investigated its ability to protect against acute respiratory glanders. Here we show that CLH001 is attenuated, safe, and effective at protecting against lethal B. mallei challenge. Intranasal administration of CLH001 to BALB/c and NOD SCID gamma (NSG) mice resulted in complete survival without detectable colonization or abnormal organ histopathology. Additionally, BALB/c mice intranasally immunized with CLH001 in a prime/boost regimen were fully protected against lethal challenge with the B. mallei lux (CSM001) wild-type strain. C1 [Hatcher, Christopher L.; Mott, Tiffany M.; Sbrana, Elena; Torres, Alfredo G.] Univ Texas Med Branch, Dept Microbiol & Immunol, Galveston, TX 77555 USA. [Muruato, Laura A.; Torres, Alfredo G.] Univ Texas Med Branch, Inst Translat Sci, Galveston, TX 77555 USA. [Sbrana, Elena; Torres, Alfredo G.] Univ Texas Med Branch, Dept Pathol, Galveston, TX 77555 USA. [Torres, Alfredo G.] Univ Texas Med Branch, Sealy Ctr Vaccine Dev, Galveston, TX 77555 USA. [Mott, Tiffany M.] USAMRIID, ORISE, Oak Ridge, TN USA. RP Torres, AG (reprint author), Univ Texas Med Branch, Dept Microbiol & Immunol, Galveston, TX 77555 USA. EM altorres@utmb.edu FU HHS | National Institutes of Health (NIH) [AI057156]; DOD | U.S. Army [623-1] FX This work, including the efforts of Tiffany M. Mott, Laura A. Muruato, Elena Sbrana, and Alfredo G. Torres, was funded by HHS | National Institutes of Health (NIH) (AI057156). This work, including the efforts of Christopher L. Hatcher, was funded by DOD | U.S. Army (623-1). NR 37 TC 0 Z9 0 U1 2 U2 2 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0019-9567 EI 1098-5522 J9 INFECT IMMUN JI Infect. Immun. PD AUG PY 2016 VL 84 IS 8 BP 2345 EP 2354 DI 10.1128/IAI.00328-16 PG 10 WC Immunology; Infectious Diseases SC Immunology; Infectious Diseases GA DS4JC UT WOS:000380746400018 PM 27271739 ER PT J AU Pan, F McPherson, BJ Dai, ZX Jia, W Lee, SY Ampomah, W Viswanathan, H Esser, R AF Pan, Feng McPherson, Brian J. Dai, Zhenxue Jia, Wei Lee, Si-Yong Ampomah, William Viswanathan, Hari Esser, Rich TI Uncertainty analysis of carbon sequestration in an active CO2-EOR field SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE CO2 sequestration; Enhanced oil recovery; Uncertainty quantification; Response surface methodology; Pressure buildup ID PREDICTIVE UNCERTAINTY; DIOXIDE INJECTION; CO2 SEQUESTRATION; POLYNOMIAL CHAOS; STORAGE; QUANTIFICATION; SIMULATION; IMPACTS; SYSTEMS; DESIGN AB Enhanced Oil Recovery (EOR) is perhaps the most feasible option for geologic CO2 sequestration (GCS). However, the typical large extent of uncertainty in reservoir properties is a major obstacle to effective risk assessment of GCS. The primary objective of this study was to quantify uncertainties in key reservoir parameters for an active, commercial-scale CO2-EOR field. We selected the Morrow formation within the active Farnsworth Unit (FWU) EOR field in Texas for this case study. Critical for this study are historical and real-time CO2 injection/production data as well as fundamental hydrologic and geologic characterization data from injection wells and three dedicated characterization/observation wells. We designed and applied a response surface methodology (RSM) integrated with Monte Carlo simulations to evaluate and quantify uncertainty. Previous sensitivity studies identified critical uncertain parameters including reservoir permeability, anisotropy ratio of permeability (k(v)/k(h)), water-alternating-gas (WAG) time ratio, and initial oil saturation. Cumulative oil production, net CO2 storage, net water stored (difference between the injection water and produced water), and reservoir pressure at the injection well were the primary dependent variables used to evaluate uncertainties of CO2 storage associated with oil production and potential risk of reservoir pressure build-up. A 3-D static reservoir model was constructed based on the geology of the Farnsworth EOR site, serving as the basis for all multiple-realization reservoir simulations. After performing stepwise regression analyses, a series of response surface models of the dependent variables at each time step were constructed and validated using appropriate goodness-of-fit measures. Given the range of uncertainties in the independent variables, cumulative distribution functions (CDFs) and uncertainty bounds (5th and 95th percentiles) of output responses were estimated based on regression equations and Monte Carlo sampling. Forecasted cumulative oil production and net CO2 storage varied from 54,696 bbl, and 22,784 t, respectively, at the 5th percentile to 203,989 bbl, and 39,525 t at the 95th percentile after 5 years. These results suggest that a significant proportion of forecasted output response uncertainty, including forecasted storage capacity, is propagated from parameter uncertainties. For this case study, response surface results suggest that maximum cumulative oil production could be achieved with permeability in a specific range (10.0-31.6 mD, which is close to the mean value of the actual strata). The pressure near the injection well exceeded 40 MPa, and 54 MPa at the 95th percentile after 1 and 5 years, respectively. The reservoir pressure fracturing threshold is just under 37 MPa in the FWU, indicating a significant risk of caprock fracturing in the low permeability zones due to pressure build-up. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Pan, Feng; McPherson, Brian J.; Jia, Wei; Esser, Rich] Univ Utah, Dept Civil & Environm Engn, Salt Lake City, UT 84112 USA. [Pan, Feng; McPherson, Brian J.; Jia, Wei; Esser, Rich] Univ Utah, Energy & Geosci Inst, Salt Lake City, UT 84108 USA. [Dai, Zhenxue; Viswanathan, Hari] Los Alamos Natl Lab, Earth & Environm Sci Div, Los Alamos, NM 87545 USA. [Lee, Si-Yong] Schlumberger Carbon Serv, Denver, CO 80202 USA. [Ampomah, William] New Mexico Inst Min & Technol, Petr Recovery Res Ctr, Socorro, NM 87801 USA. RP Pan, F (reprint author), Univ Utah, Dept Civil & Environm Engn, Salt Lake City, UT 84112 USA. EM fpan@egi.utah.edu OI Dai, Zhenxue/0000-0002-0805-7621 FU Phase III Southwest Partnership on Carbon Sequestration (SWP) Farnsworth CO2-EOR project - U.S. Department of Energy through the National Energy Technology Laboratory [DE-FC26-05NT42591]; Utah Science Technology and Research Initiative (USTAR) FX The work has been supported by the Phase III Southwest Partnership on Carbon Sequestration (SWP) Farnsworth CO2-EOR project funded by the U.S. Department of Energy through the National Energy Technology Laboratory, under the auspices of Project # DE-FC26-05NT42591. The research of the first author is partly supported by the Utah Science Technology and Research Initiative (USTAR). We would like to thank Drs. Robert Balch and Reid Grigg at New Mexico Institute of Mining and Technology, Dr. Mark White at Pacific Northwest National Laboratory, and Dr. Martin Appold at University of Missouri for their support and help on the 3-D reservoir simulations. We also thank Dr. Dongbin Xiu at University of Utah for his theoretical support on the RSM approach. NR 33 TC 7 Z9 7 U1 11 U2 13 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 AUG PY 2016 VL 51 BP 18 EP 28 DI 10.1016/j.ijggc.2016.04.010 PG 11 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DT8GE UT WOS:000381727000003 ER PT J AU Jordan, P Carey, JW AF Jordan, Preston Carey, J. William TI Steam blowouts in California Oil and Gas District 4: Comparison of the roles of initial defects versus well aging and implications for well blow outs in geologic carbon storage projects SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Well blowout frequency; Integrity; Construction defect; Aging; Geologic carbon storage ID CO2 STORAGE; INTEGRITY AB Unplugged, abandoned wells are the greatest concern for potential open leakage pathways to groundwater and the atmosphere from geologic reservoirs storing CO2. Such wells will blow out when encountered by a buoyant fluid. Historical data on well blowouts during steam-enhanced oil recovery in California's Oil and Gas District 4 provides perspective on blowout frequency during immiscible fluid injection. Well blowout rates are often characterized as events-per-well years. This implies that well integrity decreases with well age. This is at odds with an alternative conceptual model that suggests well leakage is predominantly due to initial well integrity defects. The rate of inactive well blowouts releasing injected steam in California Oil and Gas District 4 on a well-years basis declines contrary to the aging model. In contrast, the rate on the basis of wells intersected by steam is relatively constant. This is more consistent with initial defects rather than subsequent degradation creating the integrity defects that allow a blowout to occur. The initial defect hypothesis is further supported by the observation that blowouts typically occur one year or less after well shut in, plugging or the start of steam injection nearby. The well defect perspective implies that risk assessments for buoyant injected fluids, such as steam and CO2, should use a blowout rate per wells encountered by a plume rather than per well years to characterize acute well leakage risk. The predominance of inactive well blowouts due to initial defects rather than aging implies that blowout events are likely to occur earlier at the plume edge rather than later toward the plume center. Published by Elsevier Ltd. C1 [Jordan, Preston] Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. [Carey, J. William] Los Alamos Natl Lab, Earth & Environm Sci Div, Santa Fe, NM 87505 USA. RP Jordan, P (reprint author), Lawrence Berkeley Natl Lab, Earth Sci Div, Berkeley, CA 94720 USA. EM pdjordan@lbl.gov RI Jordan, Preston/L-1587-2016 OI Jordan, Preston/0000-0001-5853-9517 FU Office of Sequestration, Hydrogen, and Clean Coal Fuels, National Energy Technology Laboratory's National Risk Assessment Partnership, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The authors are grateful to the Assistant Secretary for Fossil Energy, Office of Sequestration, Hydrogen, and Clean Coal Fuels, National Energy Technology Laboratory's National Risk Assessment Partnership, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 for supporting this research. NR 20 TC 0 Z9 0 U1 2 U2 2 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 AUG PY 2016 VL 51 BP 36 EP 47 DI 10.1016/j.ijggc.2016.04.026 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DT8GE UT WOS:000381727000005 ER PT J AU Levine, JS Fukai, I Soeder, DJ Bromhal, G Dilmore, RM Guthrie, GD Rodosta, T Sanguinito, S Frailey, S Gorecki, C Peck, W Goodman, AL AF Levine, Jonathan S. Fukai, Isis Soeder, Daniel J. Bromhal, Grant Dilmore, Robert M. Guthrie, George D. Rodosta, Traci Sanguinito, Sean Frailey, Scott Gorecki, Charles Peck, Wesley Goodman, Angela L. TI US DOE NETL methodology for estimating the prospective CO2 storage resource of shales at the national and regional scale SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Carbon sequestration; Storage resource; Shale; Carbon dioxide ID ENHANCED GAS RECOVERY; CARBON-DIOXIDE; ELECTRON-MICROSCOPY; METHANE PRODUCTION; SALINE FORMATIONS; CAPACITY; SORPTION; SEQUESTRATION; SYSTEMS; ADSORPTION AB While the majority of shale formations will serve as reservoir seals for stored anthropogenic carbon dioxide (CO2), hydrocarbon-bearing shale formations may be potential geologic sinks after depletion through primary production. Here we present the United States-Department of Energy-National Energy Technology Laboratory (US-DOE-NETL) methodology for screening-level assessment of prospective CO2 storage resources in shale using a volumetric equation. Volumetric resource estimates are produced from the bulk volume, porosity, and sorptivity of the shale and storage efficiency factors based on formation scale properties and petrophysical limitations on fluid transport. Prospective shale formations require: (1) prior hydrocarbon production using horizontal drilling and stimulation via staged, high-volume hydraulic fracturing, (2) depths sufficient to maintain CO2 in a supercritical state, generally >800 m, and (3) an overlying seal. The US-DOE-NETL methodology accounts for storage of CO2 in shale as a free fluid phase within fractures and matrix pores and as an sorbed phase on organic matter and clays. Uncertainties include but are not limited to poorly-constrained geologic variability in formation thickness, porosity, existing fluid content, organic richness, and mineralogy. Knowledge of how these parameters may be linked to depositional environments, facies, and diagenetic history of the shale will improve the understanding of pore-to-reservoir scale behavior, and provide improved estimates of prospective CO2 storage. Published by Elsevier Ltd. C1 [Levine, Jonathan S.; Fukai, Isis; Dilmore, Robert M.; Guthrie, George D.; Sanguinito, Sean; Goodman, Angela L.] US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. [Soeder, Daniel J.; Bromhal, Grant; Rodosta, Traci] US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. [Frailey, Scott] Illinois State Geol Survey, 615 E Peabody, Champaign, IL 61820 USA. [Gorecki, Charles; Peck, Wesley] Univ North Dakota, Energy & Environm Res Ctr, 15 North 23rd St,Stop 9018, Grand Forks, ND 58202 USA. [Fukai, Isis] Battelle Mem Inst, 505 King Ave, Columbus, OH 43201 USA. [Guthrie, George D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Goodman, AL (reprint author), US DOE, Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM angela.goodman@netl.doe.gov FU National Energy Technology Laboratory Research Participation Program; U.S. Department of Energy FX We would like to thank Jason Guinan and the NETL Multimedia team for creating several of the figures. We would also like to thank a variety of internal reviewers for helpful comments. This research was supported in part by appointments 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 82 TC 1 Z9 1 U1 8 U2 12 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 AUG PY 2016 VL 51 BP 81 EP 94 DI 10.1016/j.ijggc.2016.04.028 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DT8GE UT WOS:000381727000009 ER PT J AU Vermeul, VR Amonette, JE Strickland, CE Williams, MD Bonneville, A AF Vermeul, Vince R. Amonette, James E. Strickland, Chris E. Williams, Mark D. Bonneville, Alain TI An overview of the monitoring program design for the FutureGen 2.0 CO2 storage site SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Carbon sequestration; Carbon capture and storage; Monitoring; MVA; Leak detection ID DEEP SALINE AQUIFERS; ILLINOIS BASIN; CARBON-DIOXIDE; GEOLOGIC STORAGE; PILOT TEST; PERFLUOROCARBON TRACERS; REACTIVE-TRANSPORT; LEAKAGE DETECTION; DECATUR PROJECT; INJECTED CO2 AB As part of the FutureGen 2.0 Project, a design was developed for a first-of-its-kind, commercial-scale, near-zero emissions coal-fueled power plant that includes carbon capture and storage (CCS) in a deep saline reservoir. To assess storage site performance and meet the regulatory requirements of the Class VI Underground Injection Control Program for CO2 Geologic Sequestration, the FutureGen 2.0 Project evaluated, selected, and designed a suite of monitoring technologies for use in (1) evaluating CO2 mass balance, (2) detecting significant loss of CO2 containment, (3) tracking the spatial extent of the CO2 plume and advancement of the pressure front within the storage reservoir, and (4) identifying the occurrence and location of injection-related induced seismicity. The monitoring program design includes direct monitoring of the injection process (above ground and in the injection wells), injection-zone monitoring, early-leak-detection monitoring directly above the primary confining zone, and compliance monitoring within the lowermost underground source of drinking water (USDW); it also includes measurements of formation pressure and other geochemical/isotopic signatures that provide an indication of changes in CO2 concentration and/or brine composition, both within the injection zone and immediately above the primary confining zone. In addition to these direct measurements, several indirect geophysical monitoring technologies were included in the monitoring program design such as passive seismic and integrated surface deformation monitoring. Although the FutureGen 2.0 Project was suspended by the U.S. Department of Energy prior to implementation of the monitoring program design, this overview is provided with the hope that other current or future CCS projects will derive benefit from consideration of the approach and monitoring network configuration adopted by the project. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Vermeul, Vince R.; Amonette, James E.; Strickland, Chris E.; Williams, Mark D.; Bonneville, Alain] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Vermeul, VR (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA. EM vince.vermeul@pnnl.gov FU U.S. federal funding from the American Recovery and Reinvestment Act; U.S. Department of Energy and the FutureGen Industrial Alliance, Inc. [DE-FE0001882] FX The FutureGen 2.0 project was supported by U.S. federal funding from the American Recovery and Reinvestment Act. The program was implemented under Cooperative Agreement DE-FE0001882 between the U.S. Department of Energy and the FutureGen Industrial Alliance, Inc., a non-profit membership organization created to benefit the public interest and the interests of science through research, development, and demonstration of near-zero emissions coal technology. Members of the Alliance include some of the largest coal producers, coal users, and coal equipment suppliers in the world. For more information about FutureGen 2.0, please visit www.futuregenalliance.org. NR 82 TC 3 Z9 3 U1 9 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 AUG PY 2016 VL 51 BP 193 EP 206 DI 10.1016/j.ijggc.2016.05.023 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DT8GE UT WOS:000381727000018 ER PT J AU Jia, W McPherson, BJ Pan, F Xiao, T Bromhal, G AF Jia, Wei McPherson, Brian J. Pan, Feng Xiao, Ting Bromhal, Grant TI Probabilistic analysis of CO2 storage mechanisms in a CO2-EOR field using polynomial chaos expansion SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE enhanced oil recovery (CO2-EOR); CO2 trapping mechanisms; Uncertainty quantification; Polynomial chaos expansion (PCE) ID CARBON-DIOXIDE; PREDICTIVE UNCERTAINTY; INJECTION; SEQUESTRATION; VISCOSITY; AQUIFER; DENSITY; FLOW AB Oil fields are already used for storing carbon via CO2-enhanced-oil-recovery (CO2-EOR). Such storage is an outcome of CO2-EOR, albeit not necessarily by design. A next step would be intentional storage via post-EOR CO2 injection. Trapping mechanisms in such post-EOR operations would include the same mechanisms as in CO2-EOR, including and especially hydrostratigraphic trapping and oil/aqueous dissolution. Forecasting the nature of trapping and the ultimate CO2 distribution in a reservoir is hindered by uncertainty in reservoir properties. The purpose of this study is to develop and apply reduced order models (ROMs) integrated with Monte Carlo simulations to quantify oil solubility trapping (oil phase), aqueous solubility trapping (aqueous phase), and hydrodynamic trapping (CO2 in supercritical phase). The case study site for this analysis is the SACROC unit in western Texas. A Polynomial Chaos Expansion (PCE) technique was used to develop the ROMs. The sources of uncertainty considered are porosity and permeability. Model results of interest include dissolved mass of CO2 in oil phase, mass of CO2 in supercritical phase, dissolved mass of CO2 in aqueous phase, and oil saturation in the rock formation. Reduced order models are developed for all cells in five selected layers of the model, which are adjacent to injection wells, at three specific time points of interest, including the end of a simulated CO2-EOR period, the end of a post-EOR continuous CO2 injection period, and the end of a post-injection monitoring period. Results of regression fit and validation analysis yield high R2 values and low NRMSE values, indicating that the ROMs derived from PCE are capable of meaningful predictions (compared to conventional reservoir models) and effectively represent relationships between model parameters (inputs) and model results (outputs) of interest. Results of 1000 Monte Carlo simulations indicate a dominantly upward transport of CO2 during injection, driven by buoyancy, and a dominantly downward transport of dissolved CO2 after injection stops, caused by increases in both oil and brine density. At the end of the 100-year simulation of the SACROC case study, the results forecast that the storage layers of interest store between 54% and 61% of total trapped CO2 in the entire domain in the oil phase, between 21% and 24% in the supercritical phase, and between 11% and 15% in the aqueous phase. These layers are forecasted to store between 89% and 98% of total trapped CO2 in the field by the end of simulation. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Jia, Wei; McPherson, Brian J.; Pan, Feng; Xiao, Ting] Univ Utah, Dept Civil & Environm Engn, Salt Lake City, UT 84112 USA. [Jia, Wei; McPherson, Brian J.; Pan, Feng; Xiao, Ting] Univ Utah, Energy & Geosci Inst, Salt Lake City, UT 84108 USA. [Bromhal, Grant] Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Jia, W (reprint author), Univ Utah, Dept Civil & Environm Engn, Salt Lake City, UT 84112 USA. EM wei.jia@utah.edu OI Jia, Wei/0000-0002-4106-8189 FU Phase III Southwest Partnership on Carbon Sequestration (SWP) - U.S. Department of Energy through the National Energy Technology Laboratory FX This work has been supported by the Phase III Southwest Partnership on Carbon Sequestration (SWP) funded by the U.S. Department of Energy through the National Energy Technology Laboratory. NR 44 TC 4 Z9 4 U1 4 U2 5 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 AUG PY 2016 VL 51 BP 218 EP 229 DI 10.1016/j.ijggc.2016.05.024 PG 12 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DT8GE UT WOS:000381727000020 ER PT J AU Harbert, W Daley, TM Bromhal, G Sullivan, C Huang, LJ AF Harbert, William Daley, Thomas M. Bromhal, Grant Sullivan, Charlotte Huang, Lianjie TI Progress in monitoring strategies for risk reduction in geologic CO2 storage SO INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL LA English DT Article DE Geologic CO2 storage; Carbon dioxide; Geophysical monitoring; Uncertainty Risk assessment; Area of review; Post injection site care; Value of information; Regulatory compliance ID FLUID SATURATION CHANGES; WAVE-FORM INVERSION; LAPSE SEISMIC DATA; ELECTRICAL-RESISTIVITY; VELOCITY-MEASUREMENTS; SAR INTERFEROMETRY; INJECTION; AQUIFER; FIELD; DEFORMATION AB Commercial, demonstration and pilot geologic CO2 storage (GCS) projects have provided a wealth of practical experience in monitoring technologies. In this manuscript we review a few key projects, specific geophysical methods, well-based methods, geophysical workflows and some suggested best practices. These practices are often driven and governed by regulatory requirements (e.g. U.S. Environmental Protection Agency [US -EPA] Class VI underground injection regulation) and the need for effective reservoir management of pressures and volumes as well as the site-specific risks to containment, plume migration, and underground sources of drinking water. Reducing uncertainty in monitoring is likely to lead to reducing uncertainty in risk. One of our conclusions is the need for field experiment testing that is risk driven. It is notable that GCS pilot projects have been designed for safe storage, and to date they have been successful. Technical challenges at all geologic CO2 storage sites include assuring injectivity and capacity predictions are reliable, the fate and subsurface topology of the CO2 plume is acceptable, regulatory permitting and compliance are accomplished in a timely manner, needed business assurances are supported by quantitative technical data, and the storage operation is acceptable to stakeholders. There is risk associated with all of these challenges necessitating a monitoring program utilizing both direct and indirect monitoring methods. Geophysical monitoring is viewed as a key component in approaching risk assessment because of the direct association of risk and monitoring in GCS. In this review we provide a framework for monitoring and then present some specific monitoring tools that may be useful for regulatory compliance, as well as technologies that are applicable to leakage detection. Since the Department of Energy National Risk Assessment Program (DOE NRAP) is focused on quantitative risk assessment, we focus on quantitative geophysical monitoring. Important concepts for a successful integration of monitoring and risk assessment include the following: Characterization of key parameters of risk and methods to monitor those parameters, the feedback between risk and monitoring, and the development of risk based strategies to assess and update monitoring plans and tools. We briefly review current work in assessing uncertainty in important monitoring technologies, such as seismic and electrical geophysical surveys, and acknowledge that there is both temporal and spatial uncertainty in monitoring, in addition to the measurement uncertainty of specific tools. In our opinion monitoring approaches for subsurface imaging, such as 3D-reflection seismic, 3D-Vertical Seismic Profiling (VSP), cross well seismic, electromagnetic and electrical technologies, and well-log based measurements produce proxies for saturation and mass that, when properly calibrated and interpreted, are robust quantitative estimates of these key storage parameters. Understanding the uncertainty in these proxies is important in risk-driven monitoring. The cost of high-potential geophysical monitoring technologies impacts application of these methods to quantitative risk assessments. We therefore examine the concept of value of information (VOI) that is expected to play a role in selection of monitoring tools. We also conclude that monitoring of leakage scenarios has had minimal field validation and thus quantifying and reducing risk will require dedicated experiments that probe and test uncertainty in fault/fracture-zone and wellbore leakage. Published by Elsevier Ltd. C1 [Harbert, William] Univ Pittsburgh, Pittsburgh, PA 15260 USA. [Daley, Thomas M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bromhal, Grant] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Sullivan, Charlotte] Pacific Northwest Natl Lab, Richland, WA 99354 USA. [Huang, Lianjie] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Harbert, W (reprint author), Univ Pittsburgh, Pittsburgh, PA 15260 USA. EM William.Harbert@CONTR.NETL.DOE.GOV RI Daley, Thomas/G-3274-2015 OI Daley, Thomas/0000-0001-9445-0843 FU Lawrence Berkeley National Laboratory, completed under the U.S. DOE [DE-AC02-05CH1123, DE-AC52-06NA25396] FX This work was completed as of U.S. National Risk Assessment Partnership Working (NRAP) project. We thank members of NRAP's port for this project comes from the U.S. Department of Energy (DOE) Office of Fossil Energy's Crosscutting Research program and Clean Coal and Carbon Management program. Work at Lawrence Berkeley National Laboratory, completed under the U.S. DOE Contract No. DE-AC02-05CH1123. Work at Los Alamos National Laboratory was supported under the U.S. DOE Contract No. DE-AC52-06NA25396. The thorough and constructive reviews by Dr. Susan Carroll, Dr. John Gale and several anonymous reviewers are gratefully acknowledged. In some cases comments from the reviewers were incorporated directly in our revision. NR 130 TC 0 Z9 0 U1 5 U2 8 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 AUG PY 2016 VL 51 BP 260 EP 275 DI 10.1016/j.ijggc.2016.05.007 PG 16 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels; Engineering, Environmental SC Science & Technology - Other Topics; Energy & Fuels; Engineering GA DT8GE UT WOS:000381727000024 ER PT J AU Ma, B Wang, HZ Dsouza, M Lou, J He, Y Dai, ZM Brookes, PC Xu, JM Gilbert, JA AF Ma, Bin Wang, Haizhen Dsouza, Melissa Lou, Jun He, Yan Dai, Zhongmin Brookes, Philip C. Xu, Jianming Gilbert, Jack A. TI Geographic patterns of co-occurrence network topological features for soil microbiota at continental scale in eastern China SO ISME JOURNAL LA English DT Article ID COMMUNITY STRUCTURE; DIVERSITY; PHOSPHORUS; BACTERIAL; DECADE; CARBON AB Soil microbiota play a critical role in soil biogeochemical processes and have a profound effect on soil functions. Recent studies have revealed microbial co-occurrence patterns in soil microbial communities, yet the geographic pattern of topological features in soil microbial co-occurrence networks at the continental scale are largely unknown. Here, we investigated the shifts of topological features in co-occurrence networks inferred from soil microbiota along a continental scale in eastern China. Integrating archaeal, bacterial and fungal community datasets, we inferred a meta-community co-occurrence network and analyzed node-level and network-level topological shifts associated with five climatic regions. Both node-level and network-level topological features revealed geographic patterns wherein microorganisms in the northern regions had closer relationships but had a lower interaction influence than those in the southern regions. We further identified topological differences associated with taxonomic groups and demonstrated that co-occurrence patterns were random for archaea and non-random for bacteria and fungi. Given that microbial interactions may contribute to soil functions more than species diversity, this geographic shift of topological features provides new insight into studying microbial biogeographic patterns, their organization and impacts on soil-associated function. C1 [Ma, Bin; Wang, Haizhen; Lou, Jun; He, Yan; Dai, Zhongmin; Brookes, Philip C.; Xu, Jianming] Zhejiang Univ, Coll Environm & Resource Sci, 866 Yuhangtang Rd, Hangzhou 310058, Zhejiang, Peoples R China. [Ma, Bin; Wang, Haizhen; He, Yan; Xu, Jianming] Zhejiang Prov Key Lab Subtrop Soil & Plant Nutr, Hangzhou, Zhejiang, Peoples R China. [Gilbert, Jack A.] Univ Chicago, Dept Surg, Dept Ecol & Evolut, 900 East 57th St, Chicago, IL 60637 USA. [Gilbert, Jack A.] Argonne Natl Lab, Biosci Div, Lemont, IL USA. RP Xu, JM (reprint author), Zhejiang Univ, Coll Environm & Resource Sci, 866 Yuhangtang Rd, Hangzhou 310058, Zhejiang, Peoples R China.; Gilbert, JA (reprint author), Univ Chicago, Dept Surg, Dept Ecol & Evolut, 900 East 57th St, Chicago, IL 60637 USA. EM jmxu@zju.edu.cn; gilbertjack@gmail.com RI He, Yan/F-1024-2012 FU National Natural Science Foundation of China [41520104001, 41130532]; 111 Project [B06014]; Fundamental Research Funds for the Central Universities; US Dept. of Energy [DE-AC02-06CH11357] FX This research was financially supported by the National Natural Science Foundation of China (41520104001, 41130532), the 111 Project (B06014) and the Fundamental Research Funds for the Central Universities. This work was supported in part by the US Dept. of Energy under Contract DE-AC02-06CH11357. NR 44 TC 7 Z9 7 U1 30 U2 41 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD AUG PY 2016 VL 10 IS 8 BP 1891 EP 1901 DI 10.1038/ismej.2015.261 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA DS7JN UT WOS:000380959800009 PM 26771927 ER PT J AU Eiler, A Mondav, R Sinclair, L Fernandez-Vidal, L Scofield, DG Schwientek, P Martinez-Garcia, M Torrents, D McMahon, KD Andersson, SGE Stepanauskas, R Woyke, T Bertilsson, S AF Eiler, Alexander Mondav, Rhiannon Sinclair, Lucas Fernandez-Vidal, Leyden Scofield, Douglas G. Schwientek, Patrick Martinez-Garcia, Manuel Torrents, David McMahon, Katherine D. Andersson, Siv G. E. Stepanauskas, Ramunas Woyke, Tanja Bertilsson, Stefan TI Tuning fresh: radiation through rewiring of central metabolism in streamlined bacteria SO ISME JOURNAL LA English DT Article ID WATER BACTERIOPLANKTON; HIGH-THROUGHPUT; SAR11 BACTERIA; SARGASSO SEA; SALT STRESS; DYNAMICS; OCEAN; EVOLUTION; ATLANTIC; GROWTH AB Most free-living planktonic cells are streamlined and in spite of their limitations in functional flexibility, their vast populations have radiated into a wide range of aquatic habitats. Here we compared the metabolic potential of subgroups in the Alphaproteobacteria lineage SAR11 adapted to marine and freshwater habitats. Our results suggest that the successful leap from marine to freshwaters in SAR11 was accompanied by a loss of several carbon degradation pathways and a rewiring of the central metabolism. Examples for these are C1 and methylated compounds degradation pathways, the Entner-Doudouroff pathway, the glyoxylate shunt and anapleuretic carbon fixation being absent from the freshwater genomes. Evolutionary reconstructions further suggest that the metabolic modules making up these important freshwater metabolic traits were already present in the gene pool of ancestral marine SAR11 populations. The loss of the glyoxylate shunt had already occurred in the common ancestor of the freshwater subgroup and its closest marine relatives, suggesting that the adaptation to freshwater was a gradual process. Furthermore, our results indicate rapid evolution of TRAP transporters in the freshwater clade involved in the uptake of low molecular weight carboxylic acids. We propose that such gradual tuning of metabolic pathways and transporters toward locally available organic substrates is linked to the formation of subgroups within the SAR11 clade and that this process was critical for the freshwater clade to find and fix an adaptive phenotype. C1 [Eiler, Alexander; Mondav, Rhiannon; Sinclair, Lucas; Fernandez-Vidal, Leyden; Bertilsson, Stefan] Uppsala Univ, Dept Ecol & Genet, Limnol, Norbyvagen 18D, S-75236 Uppsala, Sweden. [Eiler, Alexander; Mondav, Rhiannon; Sinclair, Lucas; Fernandez-Vidal, Leyden; Andersson, Siv G. E.; Bertilsson, Stefan] Uppsala Univ, Sci Life Lab, Norbyvagen 18D, S-75236 Uppsala, Sweden. [Scofield, Douglas G.] Uppsala Univ, Dept Ecol & Genet, Evolutionary Biol, Uppsala, Sweden. [Scofield, Douglas G.] Uppsala Univ, Uppsala Multidisciplinary Ctr Adv Computat Sci, Uppsala, Sweden. [Schwientek, Patrick; Woyke, Tanja] Joint Genome Inst, Dept Energy, Walnut Creek, CA USA. [Martinez-Garcia, Manuel; Stepanauskas, Ramunas] Bigelow Lab Ocean Sci, East Boothbay, ME USA. [Torrents, David] Barcelona Supercomp Ctr, IRB BSC Program Computat Biol, Barcelona, Spain. [Torrents, David] ICREA, Barcelona, Spain. [McMahon, Katherine D.] Univ Wisconsin, Dept Civil & Environm Engn, Madison, WI 53706 USA. [McMahon, Katherine D.] Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. [Andersson, Siv G. E.] Uppsala Univ, Dept Cell & Mol Biol, Mol Evolut, Uppsala, Sweden. [Martinez-Garcia, Manuel] Univ Alicante, Alicante, Spain. RP Eiler, A; Bertilsson, S (reprint author), Uppsala Univ, Dept Ecol & Genet, Limnol, Norbyvagen 18D, S-75236 Uppsala, Sweden.; Eiler, A; Bertilsson, S (reprint author), Uppsala Univ, Sci Life Lab, Norbyvagen 18D, S-75236 Uppsala, Sweden. EM alexander.eiler@ebc.uu.se; stebe@ebc.uu.se RI Torrents, David/G-5785-2015; OI Eiler, Alexander/0000-0001-9916-9567; Mondav, Rhiannon/0000-0002-5574-5531; Torrents, David/0000-0002-6086-9037; Sinclair, Lucas/0000-0003-4134-3571; McMahon, Katherine D./0000-0002-7038-026X FU Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX) [b2013274, b2011105]; Swedish Research Council [2012-4592, 2012-3892]; Communiy Sequencing Programme of the US Department of Energy Joint Genome Institute; US Department of Energy Joint Genome Institute, a DOE Office of Science User Facility [DE-AC02-05CH11231] FX We thank the Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX) for access to data storage and computing resources under project b2013274 and b2011105. This work was supported by the Swedish Research Council (Grant Numbers 2012-4592 to AE and 2012-3892 to SB) and the Communiy Sequencing Programme of the US Department of Energy Joint Genome Institute. The work conducted by the US Department of Energy Joint Genome Institute, a DOE Office of Science User Facility, is supported under Contract No. DE-AC02-05CH11231. Accession codes IMG IDs for the 28 genomes are given in Table 1, with data publicly available at IMG. NR 69 TC 0 Z9 0 U1 6 U2 7 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD AUG PY 2016 VL 10 IS 8 BP 1902 EP 1914 DI 10.1038/ismej.2015.260 PG 13 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA DS7JN UT WOS:000380959800010 PM 26784354 ER PT J AU Singer, E Bushnell, B Coleman-Derr, D Bowman, B Bowers, RM Levy, A Gies, EA Cheng, JF Copeland, A Klenk, HP Hallam, SJ Hugenholtz, P Tringe, SG Woyke, T AF Singer, Esther Bushnell, Brian Coleman-Derr, Devin Bowman, Brett Bowers, Robert M. Levy, Asaf Gies, Esther A. Cheng, Jan-Fang Copeland, Alex Klenk, Hans-Peter Hallam, Steven J. Hugenholtz, Philip Tringe, Susannah G. Woyke, Tanja TI High-resolution phylogenetic microbial community profiling SO ISME JOURNAL LA English DT Article ID 16S RIBOSOMAL-RNA; GENE-SEQUENCES; DARK-MATTER; DIVERSITY; BACTERIAL; PRIMERS; CLASSIFICATION; OXIDATION; TAXONOMY; GENOMES AB Over the past decade, high-throughput short-read 16S rRNA gene amplicon sequencing has eclipsed clone-dependent long-read Sanger sequencing for microbial community profiling. The transition to new technologies has provided more quantitative information at the expense of taxonomic resolution with implications for inferring metabolic traits in various ecosystems. We applied single-molecule real-time sequencing for microbial community profiling, generating full-length 16S rRNA gene sequences at high throughput, which we propose to name PhyloTags. We benchmarked and validated this approach using a defined microbial community. When further applied to samples from the water column of meromictic Sakinaw Lake, we show that while community structures at the phylum level are comparable between PhyloTags and Illumina V4 16S rRNA gene sequences (iTags), variance increases with community complexity at greater water depths. PhyloTags moreover allowed less ambiguous classification. Last, a platform-independent comparison of PhyloTags and in silico generated partial 16S rRNA gene sequences demonstrated significant differences in community structure and phylogenetic resolution across multiple taxonomic levels, including a severe underestimation in the abundance of specific microbial genera involved in nitrogen and methane cycling across the Lake's water column. Thus, PhyloTags provide a reliable adjunct or alternative to cost-effective iTags, enabling more accurate phylogenetic resolution of microbial communities and predictions on their metabolic potential. C1 [Singer, Esther; Bushnell, Brian; Coleman-Derr, Devin; Bowers, Robert M.; Levy, Asaf; Cheng, Jan-Fang; Copeland, Alex; Tringe, Susannah G.; Woyke, Tanja] US DOE, Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. [Coleman-Derr, Devin] USDA ARS, Albany, CA USA. [Bowman, Brett] Pacific Biosci, Menlo Pk, CA USA. [Gies, Esther A.; Hallam, Steven J.] Univ British Columbia, Vancouver, BC, Canada. [Klenk, Hans-Peter] Newcastle Univ, Sch Biol, Newcastle Upon Tyne, Tyne & Wear, England. [Hugenholtz, Philip] Univ Queensland, Australian Ctr Ecogen, Sch Chem & Mol Biosci, St Lucia, Qld, Australia. [Hugenholtz, Philip] Univ Queensland, Inst Mol Biosci, St Lucia, Qld, Australia. RP Tringe, SG; Woyke, T (reprint author), US DOE, Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM sgtringe@lbl.gov; twoyke@lbl.gov FU University of British Columbia; Canadian Institute for Advanced Research (CIFAR); Tula Foundation funded Centre for Microbial Diversity and Evolution (CMDE); Natural Sciences and Engineering Research Council (NSERC) of Canada; Canada Foundation of Innovation (CFI); US Department of Energy Joint Genome Institute; DOE Office of Science User Facility [DE-AC02-05CH11231] FX We thank the JGI production team for assistance in sequencing and Doina Ciobanu for the generation of the mock community. This work was performed under the auspices of the US Department of Energy Joint Genome Institute, a DOE Office of Science User Facility with funding support from Contract No. DE-AC02-05CH11231, the Natural Sciences and Engineering Research Council (NSERC) of Canada, Canada Foundation of Innovation (CFI), the Tula Foundation funded Centre for Microbial Diversity and Evolution (CMDE) and the Canadian Institute for Advanced Research (CIFAR) through grants awarded to SJH. EAG was supported by a 4-year fellowship (4YF) from the University of British Columbia. NR 48 TC 6 Z9 6 U1 12 U2 22 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD AUG PY 2016 VL 10 IS 8 BP 2020 EP 2032 DI 10.1038/ismej.2015.249 PG 13 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA DS7JN UT WOS:000380959800019 PM 26859772 ER PT J AU Jungbluth, SP Bowers, RM Lin, HT Cowen, JP Rappe, MS AF Jungbluth, Sean P. Bowers, Robert M. Lin, Huei-Ting Cowen, James P. Rappe, Michael S. TI Novel microbial assemblages inhabiting crustal fluids within mid-ocean ridge flank subsurface basalt SO ISME JOURNAL LA English DT Article ID DE-FUCA RIDGE; HYDROTHERMAL CIRCULATION; OCEANIC-CRUST; SEA-FLOOR; BASEMENT FLUIDS; EASTERN FLANK; BIOSPHERE; DIVERSITY; SEDIMENT; SUBSEAFLOOR AB Although little is known regarding microbial life within our planet's rock-hosted deep subseafloor biosphere, boreholes drilled through deep ocean sediment and into the underlying basaltic crust provide invaluable windows of access that have been used previously to document the presence of microorganisms within fluids percolating through the deep ocean crust. In this study, the analysis of 1.7 million small subunit ribosomal RNA genes amplified and sequenced from marine sediment, bottom seawater and basalt-hosted deep subseafloor fluids that span multiple years and locations on the Juan de Fuca Ridge flank was used to quantitatively delineate a subseafloor microbiome comprised of distinct bacteria and archaea. Hot, anoxic crustal fluids tapped by newly installed seafloor sampling observatories at boreholes U1362A and U1362B contained abundant bacterial lineages of phylogenetically unique Nitrospirae, Aminicenantes, Calescamantes and Chloroflexi. Although less abundant, the domain Archaea was dominated by unique, uncultivated lineages of marine benthic group E, the Terrestrial Hot Spring Crenarchaeotic Group, the Bathyarchaeota and relatives of cultivated, sulfate-reducing Archaeoglobi. Consistent with recent geochemical measurements and bioenergetic predictions, the potential importance of methane cycling and sulfate reduction were imprinted within the basalt-hosted deep subseafloor crustal fluid microbial community. This unique window of access to the deep ocean subsurface basement reveals a microbial landscape that exhibits previously undetected spatial heterogeneity. C1 [Jungbluth, Sean P.; Rappe, Michael S.] Univ Hawaii, Hawaii Inst Marine Biol, SOEST, POB 1346, Kaneohe, HI 96744 USA. [Jungbluth, Sean P.; Lin, Huei-Ting; Cowen, James P.] Univ Hawaii, Dept Oceanog, SOEST, Honolulu, HI 96822 USA. [Bowers, Robert M.] Univ Hawaii, NASA, Astrobiol Inst, IfA, Honolulu, HI 96822 USA. [Bowers, Robert M.] DOE Joint Genome Inst, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. RP Rappe, MS (reprint author), Univ Hawaii, Hawaii Inst Marine Biol, SOEST, POB 1346, Kaneohe, HI 96744 USA. EM rappe@hawaii.edu RI Jungbluth, Sean/A-9054-2012 OI Jungbluth, Sean/0000-0001-9265-8341 FU National Science Foundation Microbial Observatories [MCB06-04014]; Schlanger Ocean Drilling Fellowship; National Science Foundation-funded Science and Technology Centers of Excellence; UH NASA Astrobiology Institute; Center for Dark Energy Biosphere Investigations (C-DEBI) [OCE-0939564]; NSF FX This study is dedicated to the memory of our friend, colleague, mentor and co-author, James P Cowen, whose determination and enthusiasm were driving forces in the adaptation of seafloor borehole observatories for microbiology. We thank the captain and crew, A Fisher, K Becker, CG Wheat and other members of the science teams on board R/V Atlantis cruises AT15-35, AT15-51, AT15-66 and AT18-07. We also thank the pilots and crew of human-occupied vehicle Alvin and remote-operated vehicle Jason II and Brian Glazer, Ryan Matsumoto, Michael Matzinger, Michelle Jungbluth, Alberto Robador, Jennifer Murphy, Chih-Chiang Hseih, Natalie Hamada, Karen Meech and Joshua Bninski for sampling, technical and other assistance. This research was supported by funding from National Science Foundation Microbial Observatories grant MCB06-04014 (to JC and MSR), a Schlanger Ocean Drilling Fellowship (to SPJ), which is part of the NSF-sponsored US Science Support Program for IODP that is administered by the Consortium for Ocean Leadership, the UH NASA Astrobiology Institute and the Center for Dark Energy Biosphere Investigations (C-DEBI) (OCE-0939564), a National Science Foundation-funded Science and Technology Centers of Excellence. This study used samples and data provided by the Integrated Ocean Drilling Program. This is SOEST contribution 9539, HIMB contribution 1636 and C-DEBI contribution 289. NR 57 TC 1 Z9 1 U1 7 U2 7 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD AUG PY 2016 VL 10 IS 8 BP 2033 EP 2047 DI 10.1038/ismej.2015.248 PG 15 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA DS7JN UT WOS:000380959800020 PM 26872042 ER PT J AU Ling, BW Tartakovsky, AM Battiato, I AF Ling, Bowen Tartakovsky, Alexandre M. Battiato, Ilenia TI Dispersion controlled by permeable surfaces: surface properties and scaling SO JOURNAL OF FLUID MECHANICS LA English DT Article DE low-Reynolds-number flows; micro-/nano-fluid dynamics; porous media ID FRACTURED POROUS-MEDIA; SUPERHYDROPHOBIC SURFACES; CONTAMINANT TRANSPORT; SINGLE FRACTURE; NUTRIENT-UPTAKE; FLOW; SYSTEMS; MICROCHANNELS; FLUID; DEPOSITION AB Permeable and porous surfaces are common in natural and engineered systems. Flow and transport above such surfaces are significantly affected by the surface properties, e.g. matrix porosity and permeability. However, the relationship between such properties and macroscopic solute transport is largely unknown. In this work, we focus on mass transport in a two-dimensional channel with permeable porous walls under fully developed laminar flow conditions. By means of perturbation theory and asymptotic analysis, we derive the set of upscaled equations describing mass transport in the coupled channel-porous-matrix system and an analytical expression relating the dispersion coefficient with the properties of the surface, namely porosity and permeability. Our analysis shows that their impact on the dispersion coefficient strongly depends on the magnitude of the Peclet number, i.e. on the interplay between diffusive and advective mass transport. Additionally, we demonstrate different scaling behaviours of the dispersion coefficient for thin or thick porous matrices. Our analysis shows the possibility of controlling the dispersion coefficient, i.e. transverse mixing, by either active (i.e. changing the operating conditions) or passive mechanisms (i.e. controlling matrix effective properties) for a given Peclet number. By elucidating the impact of matrix porosity and permeability on solute transport, our upscaled model lays the foundation for the improved understanding, control and design of microporous coatings with targeted macroscopic transport features. C1 [Ling, Bowen] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Ling, Bowen; Battiato, Ilenia] San Diego State Univ, Dept Mech Engn, San Diego, CA 92182 USA. [Tartakovsky, Alexandre M.] Pacific Northwest Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Battiato, I (reprint author), San Diego State Univ, Dept Mech Engn, San Diego, CA 92182 USA. EM ibattiato@mail.sdsu.edu FU US Department of Energy (DOE), Office of Biological and Environmental Research, Subsurface Biogeochemical Research (SBR) Program through the SBR Scientific Focus Area at PNNL; National Science Foundation (NSF) [1533874]; US Department of Energy (DOE) Office of Advanced Scientific Computing (ASCR), Early Career Award 'New Dimension Reduction Methods and Scalable Algorithms for Multiscale Nonlinear Phenomena'; DOE's Office of Biological and Environmental Research (BER) through the Pacific Northwest National Laboratory (PNNL) Subsurface Biogeochemical Research Scientific Focus Area project; DOE [DE-AC05-76RL01830] FX I.B. gratefully acknowledges partial support by the US Department of Energy (DOE), Office of Biological and Environmental Research, Subsurface Biogeochemical Research (SBR) Program through the SBR Scientific Focus Area at PNNL, and the National Science Foundation (NSF) through the award no. 1533874, 'DMREF: an integrated multiscale modelling and experimental approach to design fouling resistant membranes'. A.M.T. was partially supported by the US Department of Energy (DOE) Office of Advanced Scientific Computing (ASCR) as part of the Early Career Award 'New Dimension Reduction Methods and Scalable Algorithms for Multiscale Nonlinear Phenomena' and DOE's Office of Biological and Environmental Research (BER) through the Pacific Northwest National Laboratory (PNNL) Subsurface Biogeochemical Research Scientific Focus Area project. PNNL is operated by Battelle for the DOE under Contract DE-AC05-76RL01830. NR 56 TC 1 Z9 1 U1 7 U2 9 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0022-1120 EI 1469-7645 J9 J FLUID MECH JI J. Fluid Mech. PD AUG PY 2016 VL 801 BP 13 EP 42 DI 10.1017/jfm.2016.431 PG 30 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA DS8FD UT WOS:000381017900004 ER PT J AU Bhambra, AS Edgar, M Elsegood, MRJ Horsburgh, L Krystof, V Lucas, PD Mojally, M Teat, SJ Warwick, TG Weaver, GW Zeinali, F AF Bhambra, Avninder S. Edgar, Mark Elsegood, Mark R. J. Horsburgh, Lynne Krystof, Vladimir Lucas, Paul D. Mojally, Mariam Teat, Simon J. Warwick, Thomas G. Weaver, George W. Zeinali, Fatemeh TI Novel fluorinated benzimidazole-based scaffolds and their anticancer activity in vitro SO JOURNAL OF FLUORINE CHEMISTRY LA English DT Article DE Anticancer activity; Benzimidazole; C-F activation; Fluorinated drug scaffolds; SNAr substitution ID 4-PHENYLSULFONYL TETRAFLUOROPYRIDINE; DNA; PENTAFLUOROPYRIDINE; SUBSTITUTION; REACTIVITY; LINKERS; CRYSTAL; DESIGN; DIMERS AB A small library of twelve, structurally diverse, fluoroaryl benzimidazoles was prepared using a simple synthetic strategy employing-SNAr reactions. This allowed rapid assembly of heterocyclic structures containing linked and tethered fluoroaryl benzimidazoles. X-ray crystal structures of seven compounds were obtained including those of two macrocyclic compounds containing 21- and 24-membered rings. Three tethered fluoroaryl benzimidazole derivatives demonstrated micromolar inhibition against K-562 and MCF-7 cell lines. These compounds, in addition to 1-tetrafluoropyrid-4-yl-2-tetrafluoropyrid-4ylsulfanyl-1H-benzimidazole, also demonstrated micromolar inhibition against G361 and HOS cell lines. Two of the compounds were found to activate caspases leading to apoptosis. (C) 2016 Elsevier B.V. All rights reserved. C1 [Bhambra, Avninder S.] De Montfort Univ, Sch Allied Hlth Sci, Leicester LE1 9BH, Leics, England. [Edgar, Mark; Elsegood, Mark R. J.; Horsburgh, Lynne; Lucas, Paul D.; Mojally, Mariam; Warwick, Thomas G.; Weaver, George W.; Zeinali, Fatemeh] Univ Loughborough, Dept Chem, Loughborough LE11 3TU, Leics, England. [Krystof, Vladimir] Palacky Univ, Lab Growth Regulators, Slechtitelu 27, Olomouc 78371, Czech Republic. [Krystof, Vladimir] ASCR, Inst Expt Bot, Slechtitelu 27, Olomouc 78371, Czech Republic. [Teat, Simon J.] Berkeley Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Bhambra, AS (reprint author), De Montfort Univ, Sch Allied Hlth Sci, Leicester LE1 9BH, Leics, England.; Elsegood, MRJ; Weaver, GW (reprint author), Univ Loughborough, Dept Chem, Loughborough LE11 3TU, Leics, England. EM g.w.weaver@lboro.ac.uk RI Krystof, Vladimir/B-9499-2009; OI Krystof, Vladimir/0000-0001-5838-2118; Weaver, George/0000-0002-1316-1941 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Czech Science Foundation [15-15264S] FX 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. We thank the EPSRC UK National Mass Spectrometry Facility at Swansea University for mass spectra. We are grateful to Mr J. Alastair Daley and Mrs P. King for technical support. V. Krystof gratefully acknowledges support from the Czech Science Foundation 15-15264S). We thank Umm Al-Qura University, Saudi Arabia, Loughborough University, UK, and De Montford University, UK, for financial support. NR 43 TC 0 Z9 0 U1 6 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0022-1139 EI 1873-3328 J9 J FLUORINE CHEM JI J. Fluor. Chem. PD AUG PY 2016 VL 188 BP 99 EP 109 DI 10.1016/j.jfluchem.2016.06.009 PG 11 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA DT9PY UT WOS:000381836000016 ER PT J AU Campbell, JM Ellis, RK Czakon, M Kirchner, S AF Campbell, John M. Ellis, R. Keith Czakon, Michal Kirchner, Sebastian TI Two loop correction to interference in gg -> ZZ SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE NLO Computations; QCD Phenomenology ID HIGGS-BOSON PRODUCTION; SMALL MOMENTUM EXPANSION; GAUGE-THEORY AMPLITUDES; TO-LEADING ORDER; GLUON FUSION; HADRON COLLIDERS; QCD CORRECTIONS; FEYNMAN DIAGRAMS; NNLO QCD; MASS AB We present results for the production of a pair of on-shell Z bosons via gluon gluon fusion. This process occurs both through the production and decay of the Higgs boson, and through continuum production where the Z boson couples to a loop of massless quarks or to a massive quark. We calculate the interference of the two processes and its contribution to the cross section up to and including order 0(alpha(3)(s)). The two-loop contributions to the amplitude are all known analytically, except for the continuum production through loops of top quarks of mass in. The latter contribution is important for the invariant mass of the two Z bosons, (as measured by the mass of their leptonic decay products, m(4l)), in a regime where m(4l) >= 2m, because of the contributions of longitudinal bosons. We examine all the contributions to the virtual amplitude involving top quarks, as expansions about the heavy top quark limit combined with a conformal mapping and Pade approximants. Comparison with the analytic results, where known, allows us to assess the validity of the heavy quark expansion, and it extensions. We give results for the NLO corrections to this interference, including both real and virtual radiation. C1 [Campbell, John M.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Ellis, R. Keith] Univ Durham, IPPP, South Rd, Durham DH1 3LE, England. [Czakon, Michal; Kirchner, Sebastian] Rhein Westfal TH Aachen, Inst Theoret Teilchenphys & Kosmol, D-52056 Aachen, Germany. RP Campbell, JM (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. EM johnmc@fnal.gov; keith.ellis@durham.ac.uk; mczakon@physik.rwth-aachen.de; kirchner@physik.rwth-aachen.de FU Deutsche Forschungsgemeinschaft through Graduiertenkolleg [GRK 1675]; United States Department of Energy [De-AC02-07CH11359] FX S.K. would like to thank Claude Duhr and Robert M. Schabinger for clarifying conversations about the coproduct formalism, and Robert V. Harlander and Paul Fiedler for helpful discussions. S.K. was supported by the Deutsche Forschungsgemeinschaft through Graduiertenkolleg GRK 1675. Fermilab is operated by Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359 with the United States Department of Energy. NR 72 TC 4 Z9 4 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD AUG 1 PY 2016 IS 8 AR 011 DI 10.1007/JHEP08(2016)011 PG 42 WC Physics, Particles & Fields SC Physics GA DT1CE UT WOS:000381218500002 ER PT J AU Pasha, MFK Yeasmin, D Saetern, S Yang, M Kao, SC Smith, B AF Pasha, M. Fayzul K. Yeasmin, Dilruba Saetern, Sen Yang, Majntxov Kao, Shih-Chieh Smith, Brennan TI Uncertainty Analysis in Geospatial Merit Matrix-Based Hydropower Resource Assessment SO JOURNAL OF WATER RESOURCES PLANNING AND MANAGEMENT LA English DT Article AB Hydraulic head and mean annual streamflow, two main input parameters in hydropower resource assessment, are not measured at every point along the stream. Translation and interpolation are used to derive these parameters, resulting in uncertainties. This study estimates the uncertainties and their effects on model output parameters: the total potential power and the number of potential locations (stream-reach). These parameters are quantified through Monte Carlo simulation (MCS) linking with a geospatial merit matrix-based hydropower resource assessment (GMM-HRA) model. The methodology is applied to flat, mild, and steep terrains. Results show that the uncertainty associated with the hydraulic head is within 20% for mild and steep terrains, and the uncertainty associated with streamflow is around 16% for all three terrains. Output uncertainty increases as input uncertainty increases. However, output uncertainty is around 10-20% of the input uncertainty, demonstrating the robustness of the GMM-HRA model. Hydraulic head is more sensitive to output parameters in steep terrain than in flat and mild terrains. Mean annual streamflow is more sensitive to output parameters in flat terrain. C1 [Pasha, M. Fayzul K.; Saetern, Sen; Yang, Majntxov] Calif State Univ Fresno, Dept Civil & Geomat Engn, 2320 E San Ramon Ave,M-S EE94, Fresno, CA 93740 USA. [Yeasmin, Dilruba] Calif State Univ Fresno, Calif Water Inst, Fresno, CA 93740 USA. [Yeasmin, Dilruba] Calif State Univ Fresno, Ctr Irrigat Technol, Fresno, CA 93740 USA. [Kao, Shih-Chieh] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. [Smith, Brennan] Oak Ridge Natl Lab, Div Environm Sci, Energy Water Ecosyst Engn Grp, POB 2008, Oak Ridge, TN 37831 USA. RP Pasha, MFK (reprint author), Calif State Univ Fresno, Dept Civil & Geomat Engn, 2320 E San Ramon Ave,M-S EE94, Fresno, CA 93740 USA. EM mpasha@csufresno.edu RI Kao, Shih-Chieh/B-9428-2012 OI Kao, Shih-Chieh/0000-0002-3207-5328 FU U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Program; California State University-Fresno; Oak Ridge National Laboratory [DE-AC05-00OR22725]; U.S. Department of Energy FX This research was sponsored by the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy, Wind and Water Power Technologies Program. Support from California State University-Fresno is also acknowledged. This paper was coauthored by employees of Oak Ridge National Laboratory, managed by UT Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. Accordingly, 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 U.S. 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 15 TC 0 Z9 0 U1 0 U2 0 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 0733-9496 EI 1943-5452 J9 J WATER RES PLAN MAN JI J. Water Resour. Plan. Manage.-ASCE PD AUG PY 2016 VL 142 IS 8 AR 04016020 DI 10.1061/(ASCE)WR.1943-5452.0000654 PG 7 WC Engineering, Civil; Water Resources SC Engineering; Water Resources GA DS8RP UT WOS:000381050900003 ER PT J AU Liu, M Yang, CD Cao, GH Russell, AM Liu, YH Dong, XM Zhang, ZH AF Liu, M. Yang, C. D. Cao, G. H. Russell, A. M. Liu, Y. H. Dong, X. M. Zhang, Z. H. TI Effect of microstructure and crystallography on sulfide stress cracking in API-5CT-C110 casing steel SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE Steel; EBSD; Grain boundaries; Hydrogen embrittlement; Stress corrosion ID HYDROGEN-INDUCED CRACKING; LOW-ALLOY STEEL; PIPELINE STEELS; HIGH-STRENGTH; TRAPPING EFFICIENCY; TENSILE PROPERTIES; SOUR ENVIRONMENTS; LINEPIPE STEELS; GRAIN-BOUNDARY; CORROSION AB Microstructure and crystallography have been characterized on an API-5CT-C110 casing steel. Regions near a crack, more distant from a crack, and from specimen with no cracks were analyzed through electron backscatter diffraction (EBSD). A higher proportion of low-angle grain boundaries appeared in the regions near the crack, while regions distant from cracks presented primarily high-angle grain boundaries. The high Kernel Average Misorientation value and more grains with higher Taylor factor emerged in areas beside cracks. The corrosion reactions observed in the cracks would be expected to promote crack growth. (C) 2016 Published by Elsevier B.V. C1 [Liu, M.; Yang, C. D.; Cao, G. H.] Shanghai Univ, State Key Lab Adv Special Steel, 149 Yanchang Rd, Shanghai 200072, Peoples R China. [Liu, M.; Yang, C. D.; Cao, G. H.] Shanghai Univ, Shanghai Key Lab Adv Ferromet, 149 Yanchang Rd, Shanghai 200072, Peoples R China. [Liu, M.; Yang, C. D.; Cao, G. H.] Shanghai Univ, Sch Mat Sci & Engn, 149 Yanchang Rd, Shanghai 200072, Peoples R China. [Russell, A. M.] Iowa State Univ, Div Mat Sci & Engn, Ames Lab, US DOE, Ames, IA 50011 USA. [Russell, A. M.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Liu, Y. H.; Dong, X. M.; Zhang, Z. H.] Baoshan Iron & Steel Co Ltd, Baosteel Res Inst, Tube & Pipe Dept, Shanghai 201900, Peoples R China. RP Zhang, ZH (reprint author), Baoshan Iron & Steel Co Ltd, Baosteel Res Inst, Tube & Pipe Dept, Shanghai 201900, Peoples R China. EM zhzhang@baosteel.com OI Russell, Alan/0000-0001-5264-0104 FU Baoshan Iron & Steel Co., Ltd.; Instrumental Analysis and Research Center of Shanghai University FX This work was financially supported by Baoshan Iron & Steel Co., Ltd. We thank J. C. Peng in Institute of Materials and Prof. X. Li and Ms. Y. C. Dai in Department of Materials Engineering of Shanghai University for assistance with the TEM and EBSD analysis, respectively. Support by the Instrumental Analysis and Research Center of Shanghai University are gratefully acknowledged. NR 41 TC 1 Z9 1 U1 9 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD AUG 1 PY 2016 VL 671 BP 244 EP 253 DI 10.1016/j.msea.2016.06.034 PG 10 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA DT0HV UT WOS:000381165400026 ER PT J AU Lai, YH Budworth, H Beaver, JM Chan, NLS Zhang, ZZ McMurray, CT Liu, Y AF Lai, Yanhao Budworth, Helen Beaver, Jill M. Chan, Nelson L. S. Zhang, Zunzhen McMurray, Cynthia T. Liu, Yuan TI Crosstalk between MSH2-MSH3 and pol beta promotes trinucleotide repeat expansion during base excision repair SO NATURE COMMUNICATIONS LA English DT Article ID DNA MISMATCH REPAIR; SACCHAROMYCES-CEREVISIAE MSH2; PREMUTATION MOUSE MODEL; KNOCK-IN MICE; TRIPLET REPEAT; HUMAN-CELLS; CAG REPEAT; MUTS-BETA; POLYMERASE-BETA; B PROTEIN AB Studies in knockout mice provide evidence that MSH2-MSH3 and the BER machinery promote trinucleotide repeat (TNR) expansion, yet how these two different repair pathways cause the mutation is unknown. Here we report the first molecular crosstalk mechanism, in which MSH2-MSH3 is used as a component of the BER machinery to cause expansion. On its own, pol beta fails to copy TNRs during DNA synthesis, and bypasses them on the template strand to cause deletion. Remarkably, MSH2-MSH3 not only stimulates pol beta to copy through the repeats but also enhances formation of the flap precursor for expansion. Our results provide direct evidence that MMR and BER, operating together, form a novel hybrid pathway that changes the outcome of TNR instability from deletion to expansion during the removal of oxidized bases. We propose that cells implement crosstalk strategies and share machinery when a canonical pathway is ineffective in removing a difficult lesion. C1 [Lai, Yanhao; Liu, Yuan] Florida Int Univ, Dept Chem & Biochem, 11200 SW 8th St, Miami, FL 33199 USA. [Budworth, Helen; Chan, Nelson L. S.; McMurray, Cynthia T.] Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd,33R249, Berkeley, CA 94720 USA. [Beaver, Jill M.; Liu, Yuan] Florida Int Univ, Biochem PhD Program, 11200 SW 8th St, Miami, FL 33199 USA. [Zhang, Zunzhen] Sichuan Univ, West China Sch Publ Hlth, Dept Occupat & Environm Hlth, 16,Sect 3, Chengdu 610041, Sichuan, Peoples R China. [Liu, Yuan] Florida Int Univ, Biomol Sci Inst, Sch Integrated Sci & Humanity, 11200 SW 8th St, Miami, FL 33199 USA. RP Liu, Y (reprint author), Florida Int Univ, Dept Chem & Biochem, 11200 SW 8th St, Miami, FL 33199 USA.; McMurray, CT (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd,33R249, Berkeley, CA 94720 USA.; Liu, Y (reprint author), Florida Int Univ, Biochem PhD Program, 11200 SW 8th St, Miami, FL 33199 USA.; Liu, Y (reprint author), Florida Int Univ, Biomol Sci Inst, Sch Integrated Sci & Humanity, 11200 SW 8th St, Miami, FL 33199 USA. EM ctmcmurray@lbl.gov; yualiu@fiu.edu FU National Institutes of Health [ES023569, ES020766, NS060115, CA092584] FX We thank Samuel H. Wilson at National Institute of Environmental Health Sciences, National Institutes of Health for generously providing expression vectors for BER enzymes and antibodies against human pol beta. This work was supported by National Institutes of Health grants ES023569 (to Y. Liu), ES020766 (to C.T.M.), NS060115 (to C.T.M.) and CA092584 (to C.T.M.). NR 68 TC 0 Z9 0 U1 4 U2 6 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 AUG PY 2016 VL 7 AR 12465 DI 10.1038/ncomms12465 PG 15 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DU0OP UT WOS:000381904700001 PM 27546332 ER PT J AU Moll, PJW Potter, AC Nair, NL Ramshaw, BJ Modic, KA Riggs, S Zeng, B Ghimire, NJ Bauer, ED Kealhofer, R Ronning, F Analytis, JG AF Moll, Philip J. W. Potter, Andrew C. Nair, Nityan L. Ramshaw, B. J. Modic, K. A. Riggs, Scott Zeng, Bin Ghimire, Nirmal J. Bauer, Eric D. Kealhofer, Robert Ronning, Filip Analytis, James G. TI Magnetic torque anomaly in the quantum limit of Weyl semimetals SO NATURE COMMUNICATIONS LA English DT Article ID MAGNETORESISTANCE; GRAPHENE; PHASE; SOLIDS AB Electrons in materials with linear dispersion behave as massless Weyl-or Dirac-quasi-particles, and continue to intrigue due to their close resemblance to elusive ultra-relativistic particles as well as their potential for future electronics. Yet the experimental signatures of Weyl-fermions are often subtle and indirect, in particular if they coexist with conventional, massive quasiparticles. Here we show a pronounced anomaly in the magnetic torque of the Weyl semimetal NbAs upon entering the quantum limit state in high magnetic fields. The torque changes sign in the quantum limit, signalling a reversal of the magnetic anisotropy that can be directly attributed to the topological nature of the Weyl electrons. Our results establish that anomalous quantum limit torque measurements provide a direct experimental method to identify and distinguish Weyl and Dirac systems. C1 [Moll, Philip J. W.; Potter, Andrew C.; Nair, Nityan L.; Kealhofer, Robert; Analytis, James G.] Univ Calif Berkeley, Dept Phys, 359 Birge Hall, Berkeley, CA 94720 USA. [Moll, Philip J. W.; Modic, K. A.] Max Planck Inst Chem Phys Solids, Nothnitzer Str 40, D-01187 Dresden, Germany. [Ramshaw, B. J.; Modic, K. A.] Natl High Magnet Field Lab, TA 35, Los Alamos, NM 87545 USA. [Riggs, Scott; Zeng, Bin] Natl High Magnet Field Lab, 1800 E Paul Dirac Dr, Tallahassee, FL 32310 USA. [Ghimire, Nirmal J.; Bauer, Eric D.; Ronning, Filip] Los Alamos Natl Lab, TA 3, Los Alamos, NM 87545 USA. RP Moll, PJW; Analytis, JG (reprint author), Univ Calif Berkeley, Dept Phys, 359 Birge Hall, Berkeley, CA 94720 USA.; Moll, PJW (reprint author), Max Planck Inst Chem Phys Solids, Nothnitzer Str 40, D-01187 Dresden, Germany. EM philip.moll@cpfs.mpg.de; analytis@berkeley.edu OI Ronning, Filip/0000-0002-2679-7957; Bauer, Eric/0000-0003-0017-1937 FU Gordon and Betty Moore Foundation's EPiQS Initiative [GBMF4374, GBMF4307]; NSF GRFP [DGE 1106400]; Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering; National Science Foundation [DMR-1157490]; State of Florida; U.S. Department of Energy; U.S. Department of Energy (DOE)-Basic Energy Sciences (BES) [DE-SC0002613]; Office of Naval Research under the Electrical Sensors and Network Research Division [N00014-15-1-2674] FX We thank Itamar Kimchi for helpful discussions. Torque measurements were supported by the Gordon and Betty Moore Foundation's EPiQS Initiative through Grant GBMF4374. A.C.P. was supported by the Gordon and Betty Moore Foundation's EPiQS Initiative through Grant GBMF4307. N.L.N. was supported by NSF GRFP under grant no. DGE 1106400. N.G., E.D.B. and F.R. were supported under the auspices of the Department of Energy, Office of Basic Energy Sciences, Division of Materials Science and Engineering. This work was performed at the National High Magnetic Field Laboratory, which is supported by the National Science Foundation Cooperative Agreement No. DMR-1157490, the State of Florida, and the U.S. Department of Energy B.Z. acknowledges support from the U.S. Department of Energy (DOE)-Basic Energy Sciences (BES) through award DE-SC0002613. This work was partially supported by the Office of Naval Research under the Electrical Sensors and Network Research Division, Award No. N00014-15-1-2674. NR 28 TC 1 Z9 1 U1 29 U2 30 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 AUG PY 2016 VL 7 AR 12492 DI 10.1038/ncomms12492 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DU0OS UT WOS:000381905000001 PM 27545105 ER PT J AU Nogly, P Panneels, V Nelson, G Gati, C Kimura, T Milne, C Milathianaki, D Kubo, M Wu, WT Conrad, C Coe, J Bean, R Zhao, Y Bath, P Dods, R Harimoorthy, R Beyerlein, KR Rheinberger, J James, D DePonte, D Li, CF Sala, L Williams, GJ Hunter, MS Koglin, JE Berntsen, P Nango, E Iwata, S Chapman, HN Fromme, P Frank, M Abela, R Boutet, S Barty, A White, TA Weierstall, U Spence, J Neutze, R Schertler, G Standfuss, J AF Nogly, Przemyslaw Panneels, Valerie Nelson, Garrett Gati, Cornelius Kimura, Tetsunari Milne, Christopher Milathianaki, Despina Kubo, Minoru Wu, Wenting Conrad, Chelsie Coe, Jesse Bean, Richard Zhao, Yun Bath, Petra Dods, Robert Harimoorthy, Rajiv Beyerlein, Kenneth R. Rheinberger, Jan James, Daniel DePonte, Daniel Li, Chufeng Sala, Leonardo Williams, Garth J. Hunter, Mark S. Koglin, Jason E. Berntsen, Peter Nango, Eriko Iwata, So Chapman, Henry N. Fromme, Petra Frank, Matthias Abela, Rafael Boutet, Sebastien Barty, Anton White, Thomas A. Weierstall, Uwe Spence, John Neutze, Richard Schertler, Gebhard Standfuss, Jorg TI Lipidic cubic phase injector is a viable crystal delivery system for time-resolved serial crystallography SO NATURE COMMUNICATIONS LA English DT Article ID X-RAY-DIFFRACTION; PROTEIN-COUPLED RECEPTORS; COHERENT-LIGHT SOURCE; FEMTOSECOND CRYSTALLOGRAPHY; MEMBRANE-PROTEINS; RADIATION-DAMAGE; MACROMOLECULAR CRYSTALLOGRAPHY; STRUCTURAL ALTERATIONS; PHOTOCYCLE KINETICS; BACTERIORHODOPSIN AB Serial femtosecond crystallography (SFX) using X-ray free-electron laser sources is an emerging method with considerable potential for time-resolved pump-probe experiments. Here we present a lipidic cubic phase SFX structure of the light-driven proton pump bacteriorhodopsin (bR) to 2.3 angstrom resolution and a method to investigate protein dynamics with modest sample requirement. Time-resolved SFX (TR-SFX) with a pump-probe delay of 1ms yields difference Fourier maps compatible with the dark to M state transition of bR. Importantly, the method is very sample efficient and reduces sample consumption to about 1mg per collected time point. Accumulation of M intermediate within the crystal lattice is confirmed by time-resolved visible absorption spectroscopy. This study provides an important step towards characterizing the complete photocycle dynamics of retinal proteins and demonstrates the feasibility of a sample efficient viscous medium jet for TR-SFX. C1 [Nogly, Przemyslaw; Panneels, Valerie; Wu, Wenting; Rheinberger, Jan; James, Daniel; Schertler, Gebhard; Standfuss, Jorg] Paul Scherrer Inst, Lab Biomol Res, CH-5232 Villigen, Switzerland. [Nelson, Garrett; Zhao, Yun; Li, Chufeng; Weierstall, Uwe; Spence, John] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Gati, Cornelius; Bean, Richard; Beyerlein, Kenneth R.; Chapman, Henry N.; Barty, Anton; White, Thomas A.] DESY, Ctr Free Electron Laser Sci, D-22607 Hamburg, Germany. [Kimura, Tetsunari; Kubo, Minoru] RIKEN SPring 8 Ctr, Biomet Sci Lab, Mikazuki, Hyogo 6795148, Japan. [Milne, Christopher; Sala, Leonardo; Abela, Rafael] Paul Scherrer Inst, SwissFEL, CH-5232 Villigen, Switzerland. [Milathianaki, Despina; DePonte, Daniel; Williams, Garth J.; Hunter, Mark S.; Koglin, Jason E.; Boutet, Sebastien] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94025 USA. [Kubo, Minoru] JST, PRESTO, Saitama 3320012, Japan. [Conrad, Chelsie; Coe, Jesse; Fromme, Petra] Arizona State Univ, Biodesign Inst, Dept Chem & Biochem, Tempe, AZ 85287 USA. [Conrad, Chelsie; Coe, Jesse; Fromme, Petra; Neutze, Richard] Arizona State Univ, Biodesign Inst, Ctr Appl Struct Discovery, Tempe, AZ 85287 USA. [Bath, Petra; Dods, Robert; Harimoorthy, Rajiv; Berntsen, Peter; Neutze, Richard] Univ Gothenburg, Dept Chem & Mol Biol, SE-40530 Gothenburg, Sweden. [Nango, Eriko; Iwata, So] RIKEN SPring 8 Ctr, SACLA Sci Res Grp, Mikazuki, Hyogo 6795148, Japan. [Iwata, So] Kyoto Univ, Dept Cell Biol, Kyoto 6068501, Japan. [Chapman, Henry N.] Univ Hamburg, Dept Phys, D-22761 Hamburg, Germany. [Chapman, Henry N.] Univ Hamburg, Ctr Ultrafast Imaging, D-22761 Hamburg, Germany. [Frank, Matthias] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Schertler, Gebhard] ETH, Dept Biol, CH-8093 Zurich, Switzerland. RP Standfuss, J (reprint author), Paul Scherrer Inst, Lab Biomol Res, CH-5232 Villigen, Switzerland. EM joerg.standfuss@psi.ch RI Chapman, Henry/G-2153-2010; Standfuss, Joerg/G-5126-2011; Milne, Christopher/C-6883-2008; OI Chapman, Henry/0000-0002-4655-1743; Milne, Christopher/0000-0003-4714-9139; Nogly, Przemyslaw/0000-0002-8040-7753; Schertler, Gebhard F.X./0000-0002-5846-6810; James, Daniel/0000-0002-8348-6661 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; European Community [290605, FP7-PEOPLE-2011-ITN 317079 NanoMem, SNF 31003A_141235, SNF 31003A_159558, SNF 310030_153145]; NCCR MUST/ETH-FAST; STC grant [NSF 1231306]; Knut and Alice Wallenberg Foundation; Swedish Strategic Research Foundation (SSF); Swedish Research Council (VR); PIER Helmholtz Graduate School; Helmholtz Association; X-ray Free-Electron Laser Priority Strategy Program; Japan Science and Technology agency; National Institutes of Health [P41GM103393] FX We thank Dieter Oesterhelt for providing purple membranes and Gregor Cicchetti for editing the manuscript. Use of the Linac Coherent Light Source (LCLS), 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. Diffraction quality of crystals was evaluated at the PXI beamline at the Swiss Light Source (SLS). The work was financially supported by funding from the European Community's Seventh Framework Program (FP7/2007-2013) under grant agreement no. 290605 (PSI-FELLOW/COFUND; to P.N.), FP7-PEOPLE-2011-ITN 317079 NanoMem (to R.N., H.C. and G.S.), SNF 31003A_141235 (to J.S.), SNF 31003A_159558 (to J.S.), SNF 310030_153145 (to G.S.), NCCR MUST/ETH-FAST (to G.S.) and the STC grant, NSF 1231306. R.N. further acknowledges the Knut and Alice Wallenberg Foundation, the Swedish Strategic Research Foundation (SSF) and the Swedish Research Council (VR) for financial support (to R.N., P.Ba., P.Be., R.D. and R.H.). We kindly thank the PIER Helmholtz Graduate School and the Helmholtz Association for financial support (C.G.). This work was further supported by the X-ray Free-Electron Laser Priority Strategy Program and by the Japan Science and Technology agency. Parts of the sample injector used at LCLS for this research was funded by the National Institutes of Health, P41GM103393, formerly P41RR001209. NR 70 TC 0 Z9 0 U1 17 U2 21 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 AUG PY 2016 VL 7 AR 12314 DI 10.1038/ncomms12314 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DU0OK UT WOS:000381904200001 PM 27545823 ER PT J AU Hay, D Hughes, JR Babbs, C Davies, JOJ Graham, BJ Hanssen, LLP Kassouf, MT Oudelaar, AM Sharpe, JA Suciu, MC Telenius, J Williams, R Rode, C Li, PS Pennacchio, LA Sloane-Stanley, JA Ayyub, H Butler, S Sauka-Spengler, T Gibbons, RJ Smith, AJH Wood, WG Higgs, DR AF Hay, Deborah Hughes, Jim R. Babbs, Christian Davies, James O. J. Graham, Bryony J. Hanssen, Lars L. P. Kassouf, Mira T. Oudelaar, A. Marieke Sharpe, Jacqueline A. Suciu, Maria C. Telenius, Jelena Williams, Ruth Rode, Christina Li, Pik-Shan Pennacchio, Len A. Sloane-Stanley, Jacqueline A. Ayyub, Helena Butler, Sue Sauka-Spengler, Tatjana Gibbons, Richard J. Smith, Andrew J. H. Wood, William G. Higgs, Douglas R. TI Genetic dissection of the alpha-globin super-enhancer in vivo SO NATURE GENETICS LA English DT Article ID CIS-REGULATORY ELEMENTS; CELL IDENTITY GENES; HUMAN GENOME; TRANSCRIPTION FACTORS; TRANSGENIC MICE; EXPRESSION; SEQUENCES; CHROMATIN; DISEASE; PROMOTERS AB Many genes determining cell identity are regulated by clusters of Mediator-bound enhancer elements collectively referred to as super-enhancers. These super-enhancers have been proposed to manifest higher-order properties important in development and disease. Here we report a comprehensive functional dissection of one of the strongest putative super-enhancers in erythroid cells. By generating a series of mouse models, deleting each of the five regulatory elements of the alpha-globin super-enhancer individually and in informative combinations, we demonstrate that each constituent enhancer seems to act independently and in an additive fashion with respect to hematological phenotype, gene expression, chromatin structure and chromosome conformation, without clear evidence of synergistic or higher-order effects. Our study highlights the importance of functional genetic analyses for the identification of new concepts in transcriptional regulation. C1 [Hay, Deborah; Hughes, Jim R.; Babbs, Christian; Davies, James O. J.; Graham, Bryony J.; Hanssen, Lars L. P.; Kassouf, Mira T.; Oudelaar, A. Marieke; Sharpe, Jacqueline A.; Suciu, Maria C.; Telenius, Jelena; Rode, Christina; Li, Pik-Shan; Pennacchio, Len A.; Sloane-Stanley, Jacqueline A.; Ayyub, Helena; Butler, Sue; Gibbons, Richard J.; Smith, Andrew J. H.; Wood, William G.; Higgs, Douglas R.] Weatherall Inst Mol Med, MRC Mol Haematol Unit, Oxford, England. [Williams, Ruth] Weatherall Inst Mol Med, Oxford, England. [Pennacchio, Len A.] Lawrence Berkeley Natl Lab, Genom Div, MS 84-171, Berkeley, CA USA. RP Higgs, DR (reprint author), Weatherall Inst Mol Med, MRC Mol Haematol Unit, Oxford, England. EM doug.higgs@imm.ox.ac.uk OI Davies, James/0000-0002-4108-4357 FU Wellcome Trust; UK Medical Research Council (MRC); National Institute for Health Research Biomedical Research Centre, Oxford; NIDCR [U01DE020060NIH]; NHGRI [R01HG003988, U54HG006997]; US Department of Energy [DE-AC02-05CH11231] FX This manuscript is dedicated to the memory of Professor Bill Wood who initiated the project and died in 2014 during the course of this work. The work was supported by the Wellcome Trust (D.H.), the UK Medical Research Council (MRC) and the National Institute for Health Research Biomedical Research Centre, Oxford. L.A.P. was supported by NIDCR FaceBase grant U01DE020060NIH and by NHGRI grants R01HG003988 and U54HG006997, and research was conducted at the E.O. Lawrence Berkeley National Laboratory and performed under US Department of Energy contract DE-AC02-05CH11231, University of California. NR 43 TC 15 Z9 15 U1 3 U2 3 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1061-4036 EI 1546-1718 J9 NAT GENET JI Nature Genet. PD AUG PY 2016 VL 48 IS 8 BP 895 EP + DI 10.1038/ng.3605 PG 12 WC Genetics & Heredity SC Genetics & Heredity GA DS4ML UT WOS:000380755100013 PM 27376235 ER PT J AU Koshelev, A Calafiore, G Pina-Hernandez, C Allen, FI Dhuey, S Sassolini, S Wong, E Lum, P Munechika, K Cabrini, S AF Koshelev, Alexander Calafiore, Giuseppe Pina-Hernandez, Carlos Allen, Frances I. Dhuey, Scott Sassolini, Simone Wong, Edward Lum, Paul Munechika, Keiko Cabrini, Stefano TI High refractive index Fresnel lens on a fiber fabricated by nanoimprint lithography for immersion applications SO OPTICS LETTERS LA English DT Article ID FOCUSED ION-BEAM AB In this Letter, we present a Fresnel lens fabricated on the end of an optical fiber. The lens is fabricated using nano-imprint lithography of a functional high refractive index material, which is suitable for mass production. The main advantage of the presented Fresnel lens compared to a conventional fiber lens is its high refractive index (n = 1.68), which enables efficient light focusing even inside other media, such as water or an adhesive. Measurement of the lens performance in an immersion liquid (n = 1.51) shows a near diffraction limited focal spot of 810 nm in diameter at the 1/e(2) intensity level for a wavelength of 660 nm. Applications of such fiber lenses include integrated optics, optical trapping, and fiber probes. (C) 2016 Optical Society of America C1 [Koshelev, Alexander; Calafiore, Giuseppe; Pina-Hernandez, Carlos; Munechika, Keiko] aBeam Technol Inc, 22290 Foothill Blvd St 2, Hayward, CA 94541 USA. [Allen, Frances I.; Dhuey, Scott; Sassolini, Simone; Wong, Edward; Munechika, Keiko; Cabrini, Stefano] Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Allen, Frances I.; Lum, Paul] Univ Calif Berkeley, Biomol Nanotechnol Ctr, Berkeley, CA 94720 USA. RP Munechika, K (reprint author), aBeam Technol Inc, 22290 Foothill Blvd St 2, Hayward, CA 94541 USA.; Munechika, K (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM km@abeamtech.com FU U.S. Department of Energy (DOE); Office of Science (SC); Basic Energy Sciences (BES) [DE-C0013109, DE-AC02-05CH11231]; National Science Foundation (NSF); Major Research Instrumentation Program [DMR-1338139] FX U.S. Department of Energy (DOE); Office of Science (SC); Basic Energy Sciences (BES) (DE-C0013109, DE-AC02-05CH11231); National Science Foundation (NSF); Major Research Instrumentation Program (DMR-1338139). NR 23 TC 0 Z9 0 U1 11 U2 12 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD AUG 1 PY 2016 VL 41 IS 15 BP 3423 EP 3426 DI 10.1364/OL.41.003423 PG 4 WC Optics SC Optics GA DS8DV UT WOS:000381014400009 PM 27472584 ER PT J AU Harilal, SS LaHaye, NL Phillips, MC AF Harilal, S. S. LaHaye, N. L. Phillips, M. C. TI Two-dimensional fluorescence spectroscopy of laser-produced plasmas SO OPTICS LETTERS LA English DT Article ID INDUCED BREAKDOWN SPECTROSCOPY; ABSORPTION SPECTROSCOPY; ABLATION PLASMAS; SOLID SAMPLES; URANIUM; SPECTROMETRY AB We use a two-dimensional laser-induced fluorescence spectroscopy technique to measure the coupled absorption and emission properties of atomic species in plasmas produced via laser ablation of a solid aluminum target at atmospheric pressure. Emission spectra from the Al I 394.4 nm and Al I 396.15 nm transitions are measured while a frequency-doubled, continuous wave (cw) Ti: sapphire laser is tuned across the Al I 396.15 nm transition. The resulting two-dimensional spectra show the energy coupling between the two transitions via increased emission intensity for both transitions during resonant absorption of the cw laser at one transition. Time-delayed, gated detection of the emission spectrum is used to isolate resonantly excited fluorescence emission from thermally excited emission from the plasma. In addition, the tunable cw laser measures the absorption spectrum of the Al transition with ultrahigh resolution after the plasma has cooled, resulting in narrower spectral line-widths than observed in emission spectra. Our results highlight that fluorescence spectroscopy employing cw laser re-excitation after pulsed laser ablation combines benefits of both traditional emission and absorption spectroscopic methods. (C) 2016 Optical Society of America C1 [Harilal, S. S.; LaHaye, N. L.; Phillips, M. C.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. RP Harilal, SS (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. EM hari@pnnl.gov RI Harilal, Sivanandan/B-5438-2014 OI Harilal, Sivanandan/0000-0003-2266-7976 FU U.S. Department of Energy (DOE) [NA 22, DE-AC05-76RL01830]; National Nuclear Security Administration (NNSA) FX U.S. Department of Energy (DOE) (NA 22, DE-AC05-76RL01830); National Nuclear Security Administration (NNSA). NR 24 TC 3 Z9 3 U1 7 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD AUG 1 PY 2016 VL 41 IS 15 BP 3547 EP 3550 DI 10.1364/OL.41.003547 PG 4 WC Optics SC Optics GA DS8DV UT WOS:000381014400040 PM 27472615 ER PT J AU Shaw, LA Chizari, S Panas, RM Shusteff, M Spadaccini, CM Hopkins, JB AF Shaw, L. A. Chizari, S. Panas, R. M. Shusteff, M. Spadaccini, C. M. Hopkins, J. B. TI Holographic optical assembly and photopolymerized joining of planar microspheres SO OPTICS LETTERS LA English DT Article ID FREE-RADICAL PHOTOPOLYMERIZATION; LASER MANIPULATION; PARTICLES; TWEEZERS; MICROPARTICLES; FABRICATION; FIXATION AB The aim of this research is to demonstrate a holographically driven photopolymerization process for joining colloidal particles to create planar microstructures fixed to a substrate, which can be monitored with real-time measurement. Holographic optical tweezers (HOT) have been used to arrange arrays of microparticles prior to this work; here we introduce a new photopolymerization process for rapidly joining simultaneously handled microspheres in a plane. Additionally, we demonstrate a new process control technique for efficiently identifying when particles have been successfully joined by measuring a sufficient reduction in the particles' Brownian motion. This technique and our demonstrated joining approach enable HOT technology to take critical steps toward automated additive fabrication of microstructures. (C) 2016 Optical Society of America C1 [Shaw, L. A.; Chizari, S.; Hopkins, J. B.] Univ Calif Los Angeles, Dept Mech & Aerosp Engn, 420 Westwood Plaza, Los Angeles, CA 90095 USA. [Panas, R. M.; Shusteff, M.; Spadaccini, C. M.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. RP Hopkins, JB (reprint author), Univ Calif Los Angeles, Dept Mech & Aerosp Engn, 420 Westwood Plaza, Los Angeles, CA 90095 USA. EM hopkins@seas.ucla.edu FU U.S. Department of Energy (DOE); Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344]; LLNL LDRD program [14-SI-005]; LLNL-JRNL [684885] FX U.S. Department of Energy (DOE); Lawrence Livermore National Laboratory (LLNL) (DE-AC52-07NA27344); LLNL LDRD program (14-SI-005); LLNL-JRNL (684885). NR 26 TC 1 Z9 1 U1 6 U2 9 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0146-9592 EI 1539-4794 J9 OPT LETT JI Opt. Lett. PD AUG 1 PY 2016 VL 41 IS 15 BP 3571 EP 3574 DI 10.1364/OL.41.003571 PG 4 WC Optics SC Optics GA DS8DV UT WOS:000381014400046 PM 27472621 ER PT J AU Meier, WR Kong, T Kaluarachchi, US Taufour, V Jo, NH Drachuck, G Bohmer, AE Saunders, SM Sapkota, A Kreyssig, A Tanatar, MA Prozorov, R Goldman, AI Balakirev, FF Gurevich, A Bud'ko, SL Canfield, PC AF Meier, W. R. Kong, T. Kaluarachchi, U. S. Taufour, V. Jo, N. H. Drachuck, G. Bohmer, A. E. Saunders, S. M. Sapkota, A. Kreyssig, A. Tanatar, M. A. Prozorov, R. Goldman, A. I. Balakirev, Fedor F. Gurevich, Alex Bud'ko, S. L. Canfield, P. C. TI Anisotropic thermodynamic and transport properties of single-crystalline CaKFe4As4 SO PHYSICAL REVIEW B LA English DT Article ID FE-BASED SUPERCONDUCTORS; PRESSURE; SUSCEPTIBILITY; MAGNETIZATION; CAFE2AS2; GROWTH; FIELD AB Single-crystalline, single-phase CaKFe4As4 has been grown out of a high-temperature, quaternary melt. Temperature-dependent measurements of x-ray diffraction, anisotropic electrical resistivity, elastoresistivity, thermoelectric power, Hall effect, magnetization, and specific heat, combined with field-dependent measurements of electrical resistivity and field and pressure-dependent measurements of magnetization indicate that CaKFe4As4 is an ordered, stoichiometric, Fe-based superconductor with a superconducting critical temperature, T-c = 35.0 +/- 0.2 K. Other than superconductivity, there is no indication of any other phase transition for 1.8 K <= T <= 300 K. All of these thermodynamic and transport data reveal striking similarities to those found for optimally or slightly overdoped (Ba1-xKx)Fe2As2, suggesting that stoichiometric CaKFe4As4 is intrinsically close to what is referred to as "optimal-doped" on a generalized, Fe-based superconductor, phase diagram. The anisotropic superconducting upper critical field, H-c2(T), of CaKFe4As4 was determined up to 630 kOe. The anisotropy parameter. (T) = H-c2(perpendicular to)/H-c2(parallel to), for H applied perpendicular and parallel to the c axis, decreases from similar or equal to 2.5 at T-c to similar or equal to 1.5 at 25 K, which can be explained by interplay of paramagnetic pair breaking and orbital effects. The slopes of dH(c2)(parallel to)/dT similar or equal to -44 kOe/K and dH(c2)(perpendicular to)/dT similar or equal to -109 kOe/K at T-c yield an electron mass anisotropy of m(perpendicular to)/m(parallel to) similar or equal to 1/6 and short Ginzburg-Landau coherence lengths xi(parallel to) (0) similar or equal to 5.8 angstrom and xi(parallel to) (0) similar or equal to 14.3 angstrom. The value of H-c2(perpendicular to) (0) can be extrapolated to similar or equal to 920 kOe, well above the BCS paramagnetic limit. C1 [Meier, W. R.; Kong, T.; Kaluarachchi, U. S.; Taufour, V.; Jo, N. H.; Drachuck, G.; Bohmer, A. E.; Saunders, S. M.; Sapkota, A.; Kreyssig, A.; Tanatar, M. A.; Prozorov, R.; Goldman, A. I.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Meier, W. R.; Kong, T.; Kaluarachchi, U. S.; Jo, N. H.; Drachuck, G.; Saunders, S. M.; Sapkota, A.; Kreyssig, A.; Tanatar, M. A.; Prozorov, R.; Goldman, A. I.; Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Balakirev, Fedor F.] Los Alamos Natl Lab, Natl High Magnet Field Lab, MS-E536, Los Alamos, NM 87545 USA. [Gurevich, Alex] Old Dominion Univ, Dept Phys, Norfolk, VA 23529 USA. RP Canfield, PC (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA.; Canfield, PC (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM canfield@ameslab.gov RI Gurevich, Alex/A-4327-2008 OI Gurevich, Alex/0000-0003-0759-8941 FU U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering; U.S. Department of Energy [DE-AC02-07CH11358]; Gordon and Betty Moore Foundations EPiQS Initiative [GBMF4411]; Ames Laboratory's laboratory-directed research and development (LDRD; U.S. Department of Energy (DOE) Office of Science User Facility [DE-AC02-06CH11357]; National Science Foundation; Department of Energy; State of Florida through NSF Cooperative Grant [DMR-1157490]; U.S. DOE BES Science at 100T project FX We would like to thank J. Betts, M. Jaime, R. McDonald, B. Ramshaw, and M. Chan for useful discussions and experimental assistance. This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering. The research was performed at the Ames Laboratory. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. In addition, G. D., N. H. J., and W. M. were supported by the Gordon and Betty Moore Foundations EPiQS Initiative through Grant GBMF4411. V. T. is supported by Ames Laboratory's laboratory-directed research and development (LDRD) funding for magnetization measurements under pressure. We are grateful to D. S. Robinson for support during the high-energy x-ray experiments. 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. The NHMFL Pulsed Field Facility is supported by the National Science Foundation, the Department of Energy, and the State of Florida through NSF Cooperative Grant No. DMR-1157490 and by U.S. DOE BES Science at 100T project. NR 55 TC 5 Z9 5 U1 27 U2 36 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2016 VL 94 IS 6 AR 064501 DI 10.1103/PhysRevB.94.064501 PG 12 WC Physics, Condensed Matter SC Physics GA DS7GA UT WOS:000380949800009 ER PT J AU Weickert, F Harrison, N Scott, BL Jaime, M Leitmae, A Heinmaa, I Stern, R Janson, O Berger, H Rosner, H Tsirlin, AA AF Weickert, F. Harrison, N. Scott, B. L. Jaime, M. Leitmae, A. Heinmaa, I. Stern, R. Janson, O. Berger, H. Rosner, H. Tsirlin, A. A. TI Magnetic anisotropy in the frustrated spin-chain compound beta-TeVO4 SO PHYSICAL REVIEW B LA English DT Article ID SYSTEMS; CRYSTAL; PHASE AB Isotropic and anisotropic magnetic behavior of the frustrated spin-chain compound beta-TeVO4 is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetization, heat capacity, and magnetostriction measurements. Qualitatively different temperature-field diagrams are obtained below 10 T for the field applied along a or b and along c, respectively. In contrast, a nearly isotropic high-field phase emerges above 18 T and persists up to the saturation that occurs around 22.5 T. Upon cooling in low fields, the transitions at T-N1 and T-N2 toward the spin-density-wave and stripe phases are of the second order, whereas the transition at T-N3 toward the helical state is of the first order and entails a lattice component. Our microscopic analysis identifies frustrated J(1)-J(2) spin chains with a sizable antiferromagnetic interchain coupling in the bc plane and ferromagnetic couplings along the a direction. The competition between these ferromagnetic interchain couplings and the helical order within the chain underlies the incommensurate order along the a direction, as observed experimentally. While a helical state is triggered by the competition between J(1) and J(2) within the chain, the plane of the helix is not uniquely defined because of competing magnetic anisotropies. Using high-resolution synchrotron diffraction and Te-125 nuclear magnetic resonance, we also demonstrate that the crystal structure of beta-TeVO4 does not change down to 10 K, and the orbital state of V4+ is preserved. C1 [Weickert, F.; Harrison, N.; Jaime, M.] Los Alamos Natl Lab, MPA CMMS, Los Alamos, NM 87545 USA. [Scott, B. L.] Los Alamos Natl Lab, MPA 11, Los Alamos, NM 87545 USA. [Leitmae, A.; Heinmaa, I.; Stern, R.; Janson, O.; Tsirlin, A. A.] NICPB, EE-12618 Tallinn, Estonia. [Janson, O.; Rosner, H.; Tsirlin, A. A.] Max Planck Inst Chem Phys Solids, D-01187 Dresden, Germany. [Janson, O.] TU Wien, Inst Solid State Phys, A-1040 Vienna, Austria. [Berger, H.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Tsirlin, A. A.] Univ Augsburg, Inst Phys, Ctr Elect Correlat & Magnetism, Expt Phys 6, D-86135 Augsburg, Germany. RP Weickert, F (reprint author), Los Alamos Natl Lab, MPA CMMS, Los Alamos, NM 87545 USA. EM weickert.ph@gmail.com; altsirlin@gmail.com RI Stern, Raivo/A-5387-2008; Janson, Oleg/D-8502-2011; Tsirlin, Alexander/D-6648-2013; Jaime, Marcelo/F-3791-2015; Scott, Brian/D-8995-2017 OI Stern, Raivo/0000-0002-6724-9834; Janson, Oleg/0000-0001-7328-5690; Tsirlin, Alexander/0000-0001-6916-8256; Jaime, Marcelo/0000-0001-5360-5220; Scott, Brian/0000-0003-0468-5396 FU State of Florida through NSF Cooperative Grant [DMR-1157490]; Federal Ministry for Education and Research via the Sofja Kovalevskaya Award of the Alexander von Humboldt Foundation; Estonian Research Council [MTT77, PUT733, PUT210, IUT23-7]; European Regional Development Fund project [TK134] FX We are grateful to Peter Lemmens for initiating this work. We also acknowledge fruitful discussions with Andres Saul, Myron B. Salamon, and Johannes Richter, and the provision of the beamtime by the ESRF. The National High Magnetic Field Laboratory Pulsed-Field Facility is supported by the National Science Foundation (NSF), the US Department of Energy (DOE), and the State of Florida through NSF Cooperative Grant No. DMR-1157490. A.T. was supported by the Federal Ministry for Education and Research via the Sofja Kovalevskaya Award of the Alexander von Humboldt Foundation. The work in Tallinn was supported by the Estonian Research Council Grant Nos. MTT77, PUT733, PUT210, IUT23-7, and the European Regional Development Fund project TK134. NR 44 TC 1 Z9 1 U1 17 U2 22 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD AUG 1 PY 2016 VL 94 IS 6 AR 064403 DI 10.1103/PhysRevB.94.064403 PG 12 WC Physics, Condensed Matter SC Physics GA DS7GA UT WOS:000380949800008 ER PT J AU Boote, BW Freppon, DJ De La Fuente, GN Lubberstedt, T Nikolau, BJ Smith, EA AF Boote, Brett W. Freppon, Daniel J. De La Fuente, Gerald N. Lubberstedt, Thomas Nikolau, Basil J. Smith, Emily A. TI Haploid differentiation in maize kernels based on fluorescence imaging SO PLANT BREEDING LA English DT Article DE maize; haploid; diploid; fluorescence; sorting ID INFRARED-REFLECTANCE-SPECTROSCOPY; OIL CONTENT; SEEDS; IDENTIFICATION; INDUCTION; SELECTION; INDUCERS; PROTEIN; STARCH; LINES AB A new fluorescence-based method for inbred haploid differentiation in maize kernels was developed by utilizing the R1-nj colour marker in combination with fluorescence microspectroscopy and imaging. Seven inbred lines with varying R1-nj expression were used in this study. The fluorescence response of the diploid kernels at the embryonic dye spot was shown to simultaneously exhibit lower intensity and occur at a higher wavelength than the fluorescence of the dye-lacking haploid embryos. Intensity and area thresholds were applied to fluorescence images to sort the haploids from mixed sample populations, and sorting efficiencies of greater than 80% were achieved in all seven inbred lines (with values greater than 90% for five lines). The potential for high-throughput sorting when fluorescence imaging is combined with existing technologies for seed handling as well as high sorting efficiency may make fluorescence a viable and promising alternative to current sorting methods for some inbred lines. C1 [Boote, Brett W.; Freppon, Daniel J.; Smith, Emily A.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Boote, Brett W.; Freppon, Daniel J.; Smith, Emily A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [De La Fuente, Gerald N.; Lubberstedt, Thomas] Iowa State Univ, Dept Agron, Ames, IA 50011 USA. [Nikolau, Basil J.] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ctr Metab Biol, Ames, IA 50011 USA. RP Smith, EA (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA.; Smith, EA (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM esmith1@iastate.edu OI Smith, Emily/0000-0001-7438-7808 FU National Science Foundation Partnerships for Innovation: Building Innovation Capacity (PFI:BIC) [1237720]; USDA's National Institute of Food and Agriculture [IOW04314, IOW01018]; RF Baker Center for Plant Breeding; K.J. Frey Chair in Agronomy at Iowa State University FX Funding for this work was provided by the National Science Foundation Partnerships for Innovation: Building Innovation Capacity (PFI:BIC) award no. 1237720. TL would also like to thank USDA's National Institute of Food and Agriculture (Project Numbers: IOW04314, IOW01018), as well as the RF Baker Center for Plant Breeding and K.J. Frey Chair in Agronomy at Iowa State University for supporting this work. The authors thank Dr. M. Paul Scott (Agricultural Research Service, USDA) for helpful discussions. NR 24 TC 1 Z9 1 U1 10 U2 10 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0179-9541 EI 1439-0523 J9 PLANT BREEDING JI Plant Breed. PD AUG PY 2016 VL 135 IS 4 BP 439 EP 445 DI 10.1111/pbr.12382 PG 7 WC Agronomy; Biotechnology & Applied Microbiology; Plant Sciences SC Agriculture; Biotechnology & Applied Microbiology; Plant Sciences GA DS7KF UT WOS:000380961700005 ER PT J AU Zhong, Y Wang, Y Han, S Lv, YF Wang, WL Zhang, D Ding, H Zhang, YM Wang, LL He, K Zhong, RD Schneeloch, JA Gu, GD Song, CL Ma, XC Xue, QK AF Zhong, Yong Wang, Yang Han, Sha Lv, Yan-Feng Wang, Wen-Lin Zhang, Ding Ding, Hao Zhang, Yi-Min Wang, Lili He, Ke Zhong, Ruidan Schneeloch, John A. Gu, Gen-Da Song, Can-Li Ma, Xu-Cun Xue, Qi-Kun TI Nodeless pairing in superconducting copper-oxide monolayer films on Bi2Sr2CaCu2O8+delta SO SCIENCE BULLETIN LA English DT Article DE Copper oxides; Molecular beam epitaxy; Nodeless pairing; Modulation doping ID ELECTRONIC-STRUCTURE; GAPS AB The pairing mechanism of high-temperature superconductivity in cuprates remains the biggest unresolved mystery in condensed matter physics. To solve the problem, one of the most effective approaches is to investigate directly the superconducting CuO2 layers. Here, by growing CuO2 monolayer films on Bi2Sr2CaCu2O8+delta substrates, we identify two distinct and spatially separated energy gaps centered at the Fermi energy, a smaller U-like gap and a larger V-like gap on the films, and study their interactions with alien atoms by low-temperature scanning tunneling microscopy. The newly discovered U-like gap exhibits strong phase coherence and is immune to scattering by K, Cs and Ag atoms, suggesting its nature as a nodeless superconducting gap in the CuO2 layers, whereas the V-like gap agrees with the well-known pseudogap state in the underdoped regime. Our results support an s-wave superconductivity in Bi2Sr2CaCu2O8+delta , which, we propose, originates from the modulation-doping resultant two-dimensional hole liquid confined in the CuO2 layers. C1 [Zhong, Yong; Wang, Yang; Han, Sha; Lv, Yan-Feng; Wang, Wen-Lin; Zhang, Ding; Ding, Hao; Zhang, Yi-Min; Wang, Lili; He, Ke; Song, Can-Li; Ma, Xu-Cun; Xue, Qi-Kun] Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. [Wang, Lili; He, Ke; Song, Can-Li; Ma, Xu-Cun; Xue, Qi-Kun] Collaborat Innovat Ctr Quantum Matter, Beijing 100084, Peoples R China. [Zhong, Ruidan; Schneeloch, John A.; Gu, Gen-Da] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Zhong, Ruidan; Schneeloch, John A.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. RP Song, CL; Ma, XC; Xue, QK (reprint author), Tsinghua Univ, Dept Phys, State Key Lab Low Dimens Quantum Phys, Beijing 100084, Peoples R China. EM clsong07@mail.tsinghua.edu.cn; xucunma@mail.tsinghua.edu.cn; qkxue@mail.tsinghua.edu.cn RI Ding, Hao/H-8401-2013; Zhong, Ruidan/D-5296-2013 OI Ding, Hao/0000-0001-9635-3940; Zhong, Ruidan/0000-0003-1652-9454 FU National Natural Science Foundation; Ministry of Science and Technology; Ministry of Education of China; Office of Basic Energy Sciences, US Department of Energy [DE-SC00112704] FX The work was financially supported by the National Natural Science Foundation, Ministry of Science and Technology and Ministry of Education of China. The work at Brookhaven National Laboratory was supported by the Office of Basic Energy Sciences, US Department of Energy, under Contract No. DE-SC00112704. NR 32 TC 7 Z9 7 U1 32 U2 35 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 2095-9273 EI 2095-9281 J9 SCI BULL JI Sci. Bull. PD AUG PY 2016 VL 61 IS 16 BP 1239 EP 1247 DI 10.1007/s11434-016-1145-4 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT0FG UT WOS:000381157900003 ER PT J AU Cuevas-Maraver, J Kevrekidis, PG Pelinovsky, DE AF Cuevas-Maraver, Jesus Kevrekidis, Panayotis G. Pelinovsky, Dmitry E. TI Nonlinear Instabilities of Multi-Site Breathers in Klein-Gordon Lattices SO STUDIES IN APPLIED MATHEMATICS LA English DT Article ID WEAKLY COUPLED OSCILLATORS; INTRINSIC LOCALIZED MODES; DISCRETE BREATHERS; HAMILTONIAN NETWORKS; INTERNAL-MODES; LINEAR-STABILITY; SOLITONS; EXISTENCE; MULTIBREATHERS; DYNAMICS AB We explore the possibility of multi-site breather states in a nonlinear Klein-Gordon lattice to become nonlinearly unstable, even if they are found to be spectrally stable. The mechanism for this nonlinear instability is through the resonance with the wave continuum of a multiple of an internal mode eigenfrequency in the linearization of excited breather states. For the nonlinear instability, the internal mode must have its Krein signature opposite to that of the wave continuum. This mechanism is not only theoretically proposed, but also numerically corroborated through two concrete examples of the Klein-Gordon lattice with a soft (Morse) and a hard (phi(4)) potential. Compared to the case of the nonlinear Schrodinger lattice, the Krein signature of the internal mode relative to that of the wave continuum may change depending on the period of the multi-site breather state. For the periods for which the Krein signatures of the internal mode and the wave continuum coincide, multi-site breather states are observed to be nonlinearly stable. C1 Univ Seville, Seville, Spain. Univ Massachusetts, Amherst, MA 01003 USA. Los Alamos Natl Lab, Los Alamos, NM USA. McMaster Univ, Hamilton, ON L8S 4L8, Canada. Nizhnii Novgorod State Tech Univ, Nizhnii Novgorod, Russia. RP Cuevas-Maraver, J (reprint author), Univ Seville, Escuela Politecn Super, Dept Fis Aplicada 1, C Virgen de Africa 7, Seville 41011, Spain. RI Cuevas-Maraver, Jesus/A-1255-2008 OI Cuevas-Maraver, Jesus/0000-0002-7162-5759 FU US-AFOSR [FA9550-12-1-0332]; ERC under FP7, Marie Curie Actions, People, International Research Staff Exchange Scheme [IRSES-605096]; U.S. Department of Energy; Ministry of Education and Science of Russian Federation [2014/133, 2839]; [NSF-DMS-1312856] FX The authors are grateful to Dr. Avadh Saxena for seeding this collaboration and for valuable discussions. P.G.K. gratefully acknowledges the support of NSF-DMS-1312856, as well as from the US-AFOSR under grant FA9550-12-1-0332, and the ERC under FP7, Marie Curie Actions, People, International Research Staff Exchange Scheme (IRSES-605096). P.G.K.'s work at Los Alamos is supported in part by the U.S. Department of Energy. The work of D.P. is supported by the Ministry of Education and Science of Russian Federation (the base part of the state task No. 2014/133, project No. 2839). NR 34 TC 2 Z9 2 U1 2 U2 4 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0022-2526 EI 1467-9590 J9 STUD APPL MATH JI Stud. Appl. Math. PD AUG PY 2016 VL 137 IS 2 BP 214 EP 237 DI 10.1111/sapm.12107 PG 24 WC Mathematics, Applied SC Mathematics GA DS9MK UT WOS:000381107000006 ER PT J AU Myers, K Lawrence, E Fugate, M Bowen, CM Ticknor, L Woodring, J Wendelberger, J Ahrens, J AF Myers, Kary Lawrence, Earl Fugate, Michael Bowen, Claire Mckay Ticknor, Lawrence Woodring, Jon Wendelberger, Joanne Ahrens, Jim TI Partitioning a Large Simulation as It Runs SO TECHNOMETRICS LA English DT Article DE Change-point detection; Exascale computing; Complex computer models; Online methods; Piecewise linear fitting; Streaming data ID MULTIPLE STRUCTURAL-CHANGES; MATTER POWER SPECTRUM; REGRESSION; SYSTEM; MODEL; TIME AB As computer simulations continue to grow in size and complexity, they present a particularly challenging class of big data problems. Many application areas are moving toward exascale computing systems, systems that perform 10(18) FLOPS (FLoating-point Operations Per Second)a billion billion calculations per second. Simulations at this scale can generate output that exceeds both the storage capacity and the bandwidth available for transfer to storage, making post-processing and analysis challenging. One approach is to embed some analyses in the simulation while the simulation is runninga strategy often called in situ analysisto reduce the need for transfer to storage. Another strategy is to save only a reduced set of time steps rather than the full simulation. Typically the selected time steps are evenly spaced, where the spacing can be defined by the budget for storage and transfer. This article combines these two ideas to introduce an online in situ method for identifying a reduced set of time steps of the simulation to save. Our approach significantly reduces the data transfer and storage requirements, and it provides improved fidelity to the simulation to facilitate post-processing and reconstruction. We illustrate the method using a computer simulation that supported NASA's 2009 Lunar Crater Observation and Sensing Satellite mission. C1 [Myers, Kary; Lawrence, Earl; Fugate, Michael; Ticknor, Lawrence; Wendelberger, Joanne] Los Alamos Natl Lab, Stat Sci, Los Alamos, NM 87545 USA. [Bowen, Claire Mckay] Univ Notre Dame, Appl & Computat Math & Stat, Notre Dame, IN 46556 USA. [Woodring, Jon; Ahrens, Jim] Los Alamos Natl Lab, Appl Comp Sci, Los Alamos, NM 87545 USA. RP Myers, K (reprint author), Los Alamos Natl Lab, Stat Sci, Los Alamos, NM 87545 USA. EM kary@lanl.gov; earl@lanl.gov; fugate@lanl.gov; claire.mckay.bowen@gmail.com; lot@lanl.gov; woodring@lanl.gov; joanne@lanl.gov; ahrens@lanl.gov OI Myers, Kary/0000-0002-5642-959X; Ticknor, Lawrence/0000-0002-7967-7908; Wendelberger, Joanne/0000-0001-5879-3945 NR 24 TC 0 Z9 0 U1 1 U2 1 PU AMER STATISTICAL ASSOC PI ALEXANDRIA PA 732 N WASHINGTON ST, ALEXANDRIA, VA 22314-1943 USA SN 0040-1706 EI 1537-2723 J9 TECHNOMETRICS JI Technometrics PD AUG PY 2016 VL 58 IS 3 SI SI BP 329 EP 340 DI 10.1080/00401706.2016.1158740 PG 12 WC Statistics & Probability SC Mathematics GA DS8DS UT WOS:000381014100006 ER PT J AU Kunkel, GA Hovanski, Y AF Kunkel, Gregory A. Hovanski, Yuri TI From the Lab to Your Driveway: Aluminum Tailor-Welded Blanks SO WELDING JOURNAL LA English DT Editorial Material C1 [Kunkel, Gregory A.; Hovanski, Yuri] Pacific Northwest Natl Lab, Appl Mat & Performance, Richland, WA 99352 USA. RP Kunkel, GA (reprint author), Pacific Northwest Natl Lab, Appl Mat & Performance, Richland, WA 99352 USA. EM gregory.kunkel@pnnl.gov; yuri.hovanski@pnnl.gov NR 5 TC 0 Z9 0 U1 4 U2 4 PU AMER WELDING SOC PI MIAMI PA 550 N W LEJEUNE RD, MIAMI, FL 33126 USA SN 0043-2296 J9 WELD J JI Weld. J. PD AUG PY 2016 VL 95 IS 8 BP 36 EP 39 PG 4 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA DS7OV UT WOS:000380973700025 ER PT J AU Davidson, RB Yanchenko, A Ziegler, JI Avanesyan, SM Lawrie, BJ Haglund, RF AF Davidson, Roderick B., II Yanchenko, Anna Ziegler, Jed I. Avanesyan, Sergey M. Lawrie, Benjamin J. Haglund, Richard F., Jr. TI Ultrafast Plasmonic Control of Second Harmonic Generation SO ACS PHOTONICS LA English DT Article DE nonlinear optics; metasurfaces; plasmonic enhancement; intoferometry; optical control ID LIGHT; EFFICIENT AB Efficient frequency conversion techniques are crucial to the development of plasmonic metasurfaces for information processing and signal modulation. In principle, nanoscale electric-field confinement in nonlinear materials enables higher harmonic conversion efficiencies per unit volume than those attainable in bulk materials. Here we demonstrate efficient second-harmonic generation (SHG) in a serrated nanogap plasmonic geometry that generates steep electric field gradients on a dielectric metasurface. An ultrafast control pulse is used to control plasmon-induced electric fields in a thin-film material with inversion symmetry that, without plasmonic enhancement, does not exhibit an even-order nonlinear optical response. The temporal evolution of the plasmonic near-field is characterized with 100 as resolution using a novel nonlinear interferometric technique. The serrated nanogap is a unique platform in which to investigate optically controlled, plasmonically enhanced harmonic generation in dielectric materials on an ultrafast time scale. This metamaterial geometry can also be readily extended to all-optical control of other nonlinear phenomena, such as four-wave mixing and sum- and difference-frequency generation, in a wide variety of dielectric materials. C1 [Davidson, Roderick B., II; Yanchenko, Anna; Ziegler, Jed I.; Avanesyan, Sergey M.; Haglund, Richard F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Davidson, Roderick B., II; Lawrie, Benjamin J.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Yanchenko, Anna] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. RP Davidson, RB (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.; Davidson, RB (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. EM roderick.b.davidson@vanderbilt.edu FU Office of Science, U.S. Department of Energy [DE-FG02-01ER45916]; National Science Foundation Research Experience for Undergraduates program of the Vanderbilt Institute of Nanoscale Science and Engineering [DMR-1263182]; National Science Foundation under the American Recovery and Reinvestment Act [ARI-R2 DMR-0963361]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory [DE-AC05-00OR22725] FX R.B.D., S.M.A., and J.I.Z. were supported by the Office of Science, U.S. Department of Energy (DE-FG02-01ER45916). A.Y. was supported by the National Science Foundation Research Experience for Undergraduates program of the Vanderbilt Institute of Nanoscale Science and Engineering (DMR-1263182). The nanogap samples were fabricated and characterized in facilities of the Vanderbilt Institute of Nanoscale Science and Engineering, which were renovated with funds provided by the National Science Foundation under the American Recovery and Reinvestment Act (ARI-R2 DMR-0963361). B.J.L. and R.B.D. acknowledge partial support from the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 21 TC 1 Z9 1 U1 19 U2 33 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 AUG PY 2016 VL 3 IS 8 BP 1477 EP 1481 DI 10.1021/acsphotonics.6b00034 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA DT8CV UT WOS:000381717600016 ER PT J AU Sartorello, G Olivier, N Zhang, JJ Yue, WS Gosztola, DJ Wiederrecht, GP Wurtz, G Zayats, AV AF Sartorello, Giovanni Olivier, Nicolas Zhang, Jingjing Yue, Weisheng Gosztola, David J. Wiederrecht, Gary P. Wurtz, Gregory Zayats, Anatoly V. TI Ultrafast Optical Modulation of Second- and Third-Harmonic Generation from Cut-Disk-Based Metasurfaces SO ACS PHOTONICS LA English DT Article DE nanophotonics; plasmonics; nonlinear optics; ultrafast optics; metasurfaces ID 2ND-HARMONIC GENERATION; MAGNETIC METAMATERIALS; NEGATIVE REFRACTION; LIGHT; LITHOGRAPHY; WAVELENGTHS; RESONANCES; MODE AB We design and fabricate a metasurface composed of gold cut-disk resonators that exhibits a strong coherent nonlinear response. We experimentally demonstrate all-optical modulation of both second- and third-harmonic signals on a subpicosecond time scale. Pump probe experiments and numerical models show that the observed effects are due to the ultrafast response of the electronic excitations in the metal under external illumination. These effects pave the way for the development of novel active nonlinear metasurfaces with controllable and switchable coherent nonlinear response. C1 [Sartorello, Giovanni; Olivier, Nicolas; Zhang, Jingjing; Wurtz, Gregory; Zayats, Anatoly V.] Kings Coll London, Dept Phys, London WC2R 2LS, England. [Yue, Weisheng] King Abdullah Univ Sci & Technol, Adv Nanofabricat Imaging & Characterizat Core Lab, 4700 KAUST, Thuwal 239556900, Saudi Arabia. [Gosztola, David J.; Wiederrecht, Gary P.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 South Cass Ave, Argonne, IL 60439 USA. [Olivier, Nicolas] Univ Sheffield, Dept Phys & Astron, Hicks Bldg,Hounsfield Rd, Sheffield S3 7RH, S Yorkshire, England. [Wurtz, Gregory] Univ North Florida, Dept Phys, 1 UNF Dr, Jacksonville, FL 32224 USA. [Zhang, Jingjing] Nanyang Technol Univ, Sch Elect & Elect Engn, Nanyang Ave, Singapore 639798, Singapore. [Yue, Weisheng] Univ Manchester, Natl Graphene Inst, Oxford Rd, Manchester M13 9PL, Lancs, England. RP Sartorello, G (reprint author), Kings Coll London, Dept Phys, London WC2R 2LS, England. EM giovanni.sartorello@kcl.ac.uk OI Olivier, Nicolas/0000-0001-9042-5456; Sartorello, Giovanni/0000-0002-8921-1458 FU EPSRC (UK); ERC [321268]; Royal Society; Wolfson Foundation; EC [304179]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported, in part, by EPSRC (UK) and the ERC iPLASMM project (321268). J.Z. was supported by the Royal Society Newton International Fellowship. A.Z. acknowledges support from the Royal Society and the Wolfson Foundation. G.W. acknowledges the support from the EC FP7 Project No. 304179 (Marie Curie Actions). 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. All data supporting this research are provided in full in the Results section. NR 43 TC 2 Z9 2 U1 13 U2 22 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 AUG PY 2016 VL 3 IS 8 BP 1517 EP 1522 DI 10.1021/acsphotonics.6b00108 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics; Physics, Applied; Physics, Condensed Matter SC Science & Technology - Other Topics; Materials Science; Optics; Physics GA DT8CV UT WOS:000381717600022 ER PT J AU Sung, N Lee, J Kim, JH Chang, C Tsai, FTF Lee, S AF Sung, Nuri Lee, Jungsoon Kim, Ji-Hyun Chang, Changsoo Tsai, Francis T. F. Lee, Sukyeong TI 2.4 angstrom resolution crystal structure of human TRAP1(NM), the Hsp90 paralog in the mitochondrial matrix SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE Hsp90 paralog; TRAP1; molecular chaperones; mitochondrial matrix ID GYRASE B-PROTEIN; ATP HYDROLYSIS; FUNCTIONAL-ANALYSIS; BINDING; HSP104; MODEL; STATE AB TRAP1 is an organelle-specific Hsp90 paralog that is essential for neoplastic growth. As a member of the Hsp90 family, TRAP1 is presumed to be a general chaperone facilitating the late-stage folding of Hsp90 client proteins in the mitochondrial matrix. Interestingly, TRAP1 cannot replace cytosolic Hsp90 in protein folding, and none of the known Hsp90 co-chaperones are found in mitochondria. Thus, the three-dimensional structure of TRAP1 must feature regulatory elements that are essential to the ATPase activity and chaperone function of TRAP1. Here, the crystal structure of a human TRAP1(NM) dimer is presented, featuring an intact N-domain and M-domain structure, bound to adenosine 5'-beta,gamma-imidotriphosphate (ADPNP). The crystal structure together with epitope-mapping results shows that the TRAP1 M-domain loop 1 contacts the neighboring subunit and forms a previously unobserved third dimer interface that mediates the specific interaction with mitochondrial Hsp70. C1 [Sung, Nuri; Lee, Jungsoon; Kim, Ji-Hyun; Tsai, Francis T. F.; Lee, Sukyeong] Baylor Coll Med, Verna & Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA. [Chang, Changsoo] Argonne Natl Lab, Struct Biol Ctr, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Kim, Ji-Hyun] Louisiana State Univ, Pennington Biomed Res Ctr, Baton Rouge, LA 70808 USA. RP Tsai, FTF; Lee, S (reprint author), Baylor Coll Med, Verna & Marrs McLean Dept Biochem & Mol Biol, Houston, TX 77030 USA. EM ftsai@bcm.edu; slee@bcm.edu FU National Institutes of Health [R01-GM111084, R01-GM104980, R01-GM115501]; Welch Foundation [Q-1530]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357] FX We thank S. Felts and D. Toft for the human TRAP1 cDNA clone, E. Craig for the E. coli HtpG construct and J. Tsai for editing this manuscript. This work was supported by grants R01-GM111084, R01-GM104980 and R01-GM115501 from the National Institutes of Health and Q-1530 from the Welch Foundation. The use of the SBC beamlines at the Advanced Photon Source was supported by the US Department of Energy, Office of Biological and Environmental Research under contract DE-AC02-06CH11357. NR 31 TC 0 Z9 0 U1 3 U2 3 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD AUG PY 2016 VL 72 BP 904 EP 911 DI 10.1107/S2059798316009906 PN 8 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA DS4TA UT WOS:000380773100001 PM 27487821 ER PT J AU Keegan, R Waterman, DG Hopper, DJ Coates, L Taylor, G Guo, JX Coker, AR Erskine, PT Wood, SP Cooper, JB AF Keegan, Ronan Waterman, David G. Hopper, David J. Coates, Leighton Taylor, Graham Guo, Jingxu Coker, Alun R. Erskine, Peter T. Wood, Steve P. Cooper, Jonathan B. TI The 1.1 angstrom resolution structure of a periplasmic phosphate-binding protein from Stenotrophomonas maltophilia: a crystallization contaminant identified by molecular replacement using the entire Protein Data Bank SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE protein crystallography; periplasmic binding proteins; molecular replacement; phosphate-binding proteins; Stenotrophomonas maltophilia ID ALCALIGENES SP 4HAP; PSEUDOMONAS-AERUGINOSA PAO1; X-RAY CRYSTALLOGRAPHY; CRYSTAL-STRUCTURE; ESCHERICHIA-COLI; 2,4'-DIHYDROXYACETOPHENONE DIOXYGENASE; ACTIVE-TRANSPORT; AB-INITIO; MACROMOLECULAR CRYSTALLOGRAPHY; BIOFILM FORMATION AB During efforts to crystallize the enzyme 2,4-dihydroxyacetophenone dioxygenase (DAD) from Alcaligenes sp. 4HAP, a small number of strongly diffracting protein crystals were obtained after two years of crystal growth in one condition. The crystals diffracted synchrotron radiation to almost 1.0 angstrom resolution and were, until recently, assumed to be formed by the DAD protein. However, when another crystal form of this enzyme was eventually solved at lower resolution, molecular replacement using this new structure as the search model did not give a convincing solution with the original atomic resolution data set. Hence, it was considered that these crystals might have arisen from a protein impurity, although molecular replacement using the structures of common crystallization contaminants as search models again failed. A script to perform molecular replacement using MOLREP in which the first chain of every structure in the PDB was used as a search model was run on a multi-core cluster. This identified a number of prokaryotic phosphate-binding proteins as scoring highly in the MOLREP peak lists. Calculation of an electron-density map at 1.1 angstrom resolution based on the solution obtained with PDB entry 2q9t allowed most of the amino acids to be identified visually and built into the model. A BLAST search then indicated that the molecule was most probably a phosphate-binding protein from Stenotrophomonas maltophilia (UniProt ID B4SL31; gene ID Smal_2208), and fitting of the corresponding sequence to the atomic resolution map fully corroborated this. Proteins in this family have been linked to the virulence of antibiotic-resistant strains of pathogenic bacteria and with biofilm formation. The structure of the S. maltophilia protein has been refined to an R factor of 10.15% and an Rfree of 12.46% at 1.1 angstrom resolution. The molecule adopts the type II periplasmic binding protein (PBP) fold with a number of extensively elaborated loop regions. A fully dehydrated phosphate anion is bound tightly between the two domains of the protein and interacts with conserved residues and a number of helix dipoles. C1 [Keegan, Ronan; Waterman, David G.] Rutherford Appleton Lab, STFC, Didcot OX11 0FA, Oxon, England. [Keegan, Ronan; Waterman, David G.] Rutherford Appleton Lab, CCP4,Res Complex Harwell, Didcot OX11 0FA, Oxon, England. [Keegan, Ronan] Univ Liverpool, Inst Integrat Biol, Liverpool L69 7ZB, Merseyside, England. [Hopper, David J.] Aberystwyth Univ, Inst Biol Environm & Rural Sci, Aberystwyth SY23 3DA, Dyfed, Wales. [Coates, Leighton] Oak Ridge Natl Lab, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Taylor, Graham] UCL Div Med, Wolfson Drug Discovery Unit, Ctr Amyloidosis & Acute Phase Prot, Royal Free Campus, London NW3 2PF, England. [Guo, Jingxu; Coker, Alun R.; Erskine, Peter T.; Wood, Steve P.; Cooper, Jonathan B.] UCL, Div Med, Gower St, London WC1E 6BT, England. [Erskine, Peter T.; Cooper, Jonathan B.] Univ London, Birkbeck, Dept Biol Sci, Malet St, London WC1E 7HX, England. RP Cooper, JB (reprint author), UCL, Div Med, Gower St, London WC1E 6BT, England.; Cooper, JB (reprint author), Univ London, Birkbeck, Dept Biol Sci, Malet St, London WC1E 7HX, England. EM jon.cooper@ucl.ac.uk FU BBSRC, UK [B18665]; Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy FX Proteomics analysis was undertaken by Ms Lucia Di Vagno and Dr Nigel Rendell at the UCL Centre of Amyloidosis and Acute Phase Proteins. We acknowledge the BBSRC, UK for past financial support (reference B18665) and the ESRF (Grenoble, France) for synchrotron beam time and travel support. LC's contribution was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy. NR 81 TC 3 Z9 3 U1 4 U2 5 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD AUG PY 2016 VL 72 BP 933 EP 943 DI 10.1107/S2059798316010433 PN 8 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA DS4TA UT WOS:000380773100004 PM 27487824 ER PT J AU Ginn, HM Roedig, P Kuo, A Evans, G Sauter, NK Ernst, O Meents, A Mueller-Werkmeister, H Miller, RJD Stuart, DI AF Ginn, Helen Mary Roedig, Philip Kuo, Anling Evans, Gwyndaf Sauter, Nicholas K. Ernst, Oliver Meents, Alke Mueller-Werkmeister, Henrike Miller, R. J. Dwayne Stuart, David Ian TI TakeTwo: an indexing algorithm suited to still images with known crystal parameters SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE TakeTwo; data processing; serial crystallography; XFELs; X-ray free-electron lasers ID SERIAL FEMTOSECOND CRYSTALLOGRAPHY; FREE-ELECTRON LASER; X-RAY; OSCILLATION IMAGES; DIFFRACTION DATA; REFINEMENT; CHIP AB The indexing methods currently used for serial femtosecond crystallography were originally developed for experiments in which crystals are rotated in the X-ray beam, providing significant three-dimensional information. On the other hand, shots from both X-ray free-electron lasers and serial synchrotron crystallography experiments are still images, in which the few three-dimensional data available arise only from the curvature of the Ewald sphere. Traditional synchrotron crystallography methods are thus less well suited to still image data processing. Here, a new indexing method is presented with the aim of maximizing information use from a still image given the known unit-cell dimensions and space group. Efficacy for cubic, hexagonal and orthorhombic space groups is shown, and for those showing some evidence of diffraction the indexing rate ranged from 90% (hexagonal space group) to 151% (cubic space group). Here, the indexing rate refers to the number of lattices indexed per image. C1 [Ginn, Helen Mary; Stuart, David Ian] Wellcome Trust Ctr Human Genet, Div Struct Biol, Roosevelt Dr, Oxford OX3 7BN, England. [Ginn, Helen Mary; Evans, Gwyndaf; Stuart, David Ian] Diamond House, Harwell Sci & Innovat Campus,Fermi Ave, Didcot OX11 0QX, Oxon, England. [Roedig, Philip; Meents, Alke] DESY, Notkestr 85, D-22607 Hamburg, Germany. [Kuo, Anling; Ernst, Oliver; Mueller-Werkmeister, Henrike] Univ Toronto, Dept Biochem, Kings Coll Circle, Toronto, ON M5S 1A8, Canada. [Sauter, Nicholas K.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Ernst, Oliver] Univ Toronto, Dept Mol Genet, Kings Coll Circle, Toronto, ON M5S 1A8, Canada. [Mueller-Werkmeister, Henrike; Miller, R. J. Dwayne] Max Planck Inst Struct & Dynam Matter, Atomically Resolved Dynam, Luruper Chaussee 149, Hamburg, Germany. [Miller, R. J. Dwayne] Univ Hamburg, Hamburg Ctr Ultrafast Imaging, Hamburg, Germany. [Mueller-Werkmeister, Henrike; Miller, R. J. Dwayne] Univ Toronto, Dept Phys, 80 St George St, Toronto, ON M5S 1H6, Canada. [Mueller-Werkmeister, Henrike; Miller, R. J. Dwayne] Univ Toronto, Dept Chem, 80 St George St, Toronto, ON M5S 1H6, Canada. RP Stuart, DI (reprint author), Wellcome Trust Ctr Human Genet, Div Struct Biol, Roosevelt Dr, Oxford OX3 7BN, England.; Stuart, DI (reprint author), Diamond House, Harwell Sci & Innovat Campus,Fermi Ave, Didcot OX11 0QX, Oxon, England. EM dave@strubi.ox.ac.uk OI Mueller-Werkmeister, Henrike/0000-0001-9471-882X; Evans, Gwyndaf/0000-0002-6079-2201 FU Medical Research Council [MR/N00065X/1, G1000099]; Wellcome Trust [075491/04, 090532/Z/09/Z]; US National Institutes of Health [R01-GM102520]; Canadian Institute for Advanced Research; European Union under REA [623994] FX DIS was supported by the Medical Research Council, grant MR/N00065X/1 and previously G1000099. HMG was supported by the Wellcome Trust (studentship 075491/04). NKS was supported by US National Institutes of Health grant R01-GM102520. The Canadian Institute for Advanced Research supported RJDM, OPE and DIS. Portions of this research were carried out at the Linac Coherent Light Source (LCLS) at the SLAC National Accelerator Laboratory. The research leading to these results has received funding from the People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme (FP7/20072013) under REA grant agreement No. 623994 (HM-W). We are grateful to Helen Duyvesteyn for testing and using the software. LCLS is an Office of Science User Facility operated for the US Department of Energy Office of Science by Stanford University. Administrative support was received from the Wellcome Trust (grant 090532/Z/09/Z). This is a contribution from the Oxford Instruct Centre. NR 31 TC 1 Z9 1 U1 3 U2 4 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD AUG PY 2016 VL 72 BP 956 EP 965 DI 10.1107/S2059798316010706 PN 8 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA DS4TA UT WOS:000380773100006 PM 27487826 ER PT J AU Nurizzo, D Bowler, MW Caserotto, H Dobias, F Giraud, T Surr, J Guichard, N Papp, G Guijarro, M Mueller-Dieckmann, C Flot, D McSweeney, S Cipriani, F Theveneau, P Leonard, GA AF Nurizzo, Didier Bowler, Matthew W. Caserotto, Hugo Dobias, Fabien Giraud, Thierry Surr, John Guichard, Nicolas Papp, Gergely Guijarro, Matias Mueller-Dieckmann, Christoph Flot, David McSweeney, Sean Cipriani, Florent Theveneau, Pascal Leonard, Gordon A. TI RoboDiff: combining a sample changer and goniometer for highly automated macromolecular crystallography experiments SO ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY LA English DT Article DE RoboDiff; automation; robotics; high throughput; goniometers ID X-RAY-DIFFRACTION; DATA-COLLECTION; PROTEIN CRYSTALLOGRAPHY; BIOLOGICAL MACROMOLECULES; CONTROL-SYSTEM; BEAMLINE; ESRF; CRYSTALS; REFINEMENT; PIPELINE AB Automation of the mounting of cryocooled samples is now a feature of the majority of beamlines dedicated to macromolecular crystallography (MX). Robotic sample changers have been developed over many years, with the latest designs increasing capacity, reliability and speed. Here, the development of a new sample changer deployed at the ESRF beamline MASSIF-1 (ID30A-1), based on an industrial six-axis robot, is described. The device, named RoboDiff, includes a high-capacity dewar, acts as both a sample changer and a high-accuracy goniometer, and has been designed for completely unattended sample mounting and diffraction data collection. This aim has been achieved using a high level of diagnostics at all steps of the process from mounting and characterization to data collection. The RoboDiff has been in service on the fully automated endstation MASSIF-1 at the ESRF since September 2014 and, at the time of writing, has processed more than 20 000 samples completely automatically. C1 [Nurizzo, Didier; Caserotto, Hugo; Dobias, Fabien; Giraud, Thierry; Guichard, Nicolas; Guijarro, Matias; Mueller-Dieckmann, Christoph; Flot, David; McSweeney, Sean; Theveneau, Pascal; Leonard, Gordon A.] European Synchrotron Radiat Facil, 71 Ave Martyrs,CS 40220, F-38043 Grenoble, France. [Bowler, Matthew W.; Papp, Gergely; Cipriani, Florent] European Mol Biol Lab, Grenoble Outstn, 71 Ave Martyrs,CS 90181, F-38042 Grenoble, France. [Bowler, Matthew W.; Surr, John; Papp, Gergely; Cipriani, Florent] Univ Grenoble Alpes, Unit Virus Host Cell Interact, EMBL, CNRS, 71 Ave Martyrs,CS 90181, F-38042 Grenoble, France. [McSweeney, Sean] Brookhaven Natl Lab, Photon Sci, Upton, NY 11973 USA. RP Nurizzo, D (reprint author), European Synchrotron Radiat Facil, 71 Ave Martyrs,CS 40220, F-38043 Grenoble, France.; Bowler, MW (reprint author), European Mol Biol Lab, Grenoble Outstn, 71 Ave Martyrs,CS 90181, F-38042 Grenoble, France.; Bowler, MW (reprint author), Univ Grenoble Alpes, Unit Virus Host Cell Interact, EMBL, CNRS, 71 Ave Martyrs,CS 90181, F-38042 Grenoble, France. EM nurizzo@esrf.fr; mbowler@embl.fr OI Giraud, Tatiana/0000-0002-2685-6478 NR 48 TC 1 Z9 1 U1 3 U2 5 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2059-7983 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Struct. Biol. PD AUG PY 2016 VL 72 BP 966 EP 975 DI 10.1107/S205979831601158X PN 8 PG 10 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA DS4TA UT WOS:000380773100007 PM 27487827 ER PT J AU Watanabe, Y Yanai, H Kanagawa, M Suzuki, S Tamura, S Okada, K Baba, S Kumasaka, T Agari, Y Chen, LR Fu, ZQ Chrzas, J Wang, BC Nakagawa, N Ebihara, A Masui, R Kuramitsu, S Yokoyama, S Sampei, G Kawai, G AF Watanabe, Yuzo Yanai, Hisaaki Kanagawa, Mayumi Suzuki, Sakiko Tamura, Satoko Okada, Kiyoshi Baba, Seiki Kumasaka, Takashi Agari, Yoshihiro Chen, Lirong Fu, Zheng-Qing Chrzas, John Wang, Bi-Cheng Nakagawa, Noriko Ebihara, Akio Masui, Ryoji Kuramitsu, Seiki Yokoyama, Shigeyuki Sampei, Gen-ichi Kawai, Gota TI Crystal structures of a subunit of the formylglycinamide ribonucleotide amidotransferase, PurS, from Thermus thermophilus, Sulfolobus tokodaii and Methanocaldococcus jannaschii SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY COMMUNICATIONS LA English DT Article DE purine nucleotide-biosynthetic pathway; formylglycinamide ribonucleotide amidotransferase; PurS; crystal structure; Thermus thermophilus; Sulfolobus tokodaii; Methanocaldococcus jannaschii ID X-RAY CRYSTALLOGRAPHY; BACILLUS-SUBTILIS; PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHETASE; MOLECULAR REPLACEMENT; THERMOTOGA-MARITIMA; COMPLEX-FORMATION; MODEL; SYSTEM; BIOSYNTHESIS; PURIFICATION AB The crystal structures of a subunit of the formylglycinamide ribonucleotide amidotransferase, PurS, from Thermus thermophilus, Sulfolobus tokodaii and Methanocaldococcus jannaschii were determined and their structural characteristics were analyzed. For PurS from T. thermophilus, two structures were determined using two crystals that were grown in different conditions. The four structures in the dimeric form were almost identical to one another despite their relatively low sequence identities. This is also true for all PurS structures determined to date. A few residues were conserved among PurSs and these are located at the interaction site with PurL and PurQ, the other subunits of the formylglycinamide ribonucleotide amidotransferase. Molecular-dynamics simulations of the PurS dimer as well as a model of the complex of the PurS dimer, PurL and PurQ suggest that PurS plays some role in the catalysis of the enzyme by its bending motion. C1 [Watanabe, Yuzo; Suzuki, Sakiko; Tamura, Satoko; Kawai, Gota] Chiba Inst Technol, Fac Engn, Dept Life & Environm Sci, 2-17-1 Tsudanuma, Narashino, Chiba 2750016, Japan. [Yanai, Hisaaki; Kanagawa, Mayumi; Agari, Yoshihiro; Ebihara, Akio; Yokoyama, Shigeyuki; Sampei, Gen-ichi; Kawai, Gota] Harima Inst, RIKEN SPring Ctr 8, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan. [Okada, Kiyoshi; Sampei, Gen-ichi] Univ Electrocommun, Grad Sch Informat & Engn, Dept Engn Sci, 1-5-1 Chofugaoka, Chofu, Tokyo 1828585, Japan. [Baba, Seiki; Kumasaka, Takashi] SPring 8 JASRI, Struct Biol Grp, 1-1-1 Kouto, Sayo, Hyogo 6795198, Japan. [Chen, Lirong; Fu, Zheng-Qing; Chrzas, John; Wang, Bi-Cheng] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. [Fu, Zheng-Qing; Chrzas, John] Argonne Natl Lab, Adv Photon Source, SER CAT, 9700 South Cass Ave, Argonne, IL 60439 USA. [Nakagawa, Noriko; Masui, Ryoji; Kuramitsu, Seiki] Osaka Univ, Grad Sch Sci, Dept Biol Sci, 1-1 Machikaneyama Cho, Toyonaka, Osaka 5600043, Japan. RP Kawai, G (reprint author), Chiba Inst Technol, Fac Engn, Dept Life & Environm Sci, 2-17-1 Tsudanuma, Narashino, Chiba 2750016, Japan.; Kawai, G (reprint author), Harima Inst, RIKEN SPring Ctr 8, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan. EM gkawai@sea.it-chiba.ac.jp RI Yokoyama, Shigeyuki/N-6911-2015; OI Yokoyama, Shigeyuki/0000-0003-3133-7338; Ebihara, Akio/0000-0002-1763-9084 FU RIKEN Structural Genomics/Proteomics Initiative (RSGI), the National Project on Protein Structural and Functional Analyses, Ministry of Education, Culture, Sports, Science and Technology of Japan; Georgia Research Alliance; University of Georgia Research Foundation; US Department of Energy, Office of Science, Office of Basic Energy Sciences [W-31-109-Eng-38] FX This project was supported by the RIKEN Structural Genomics/Proteomics Initiative (RSGI), the National Project on Protein Structural and Functional Analyses, Ministry of Education, Culture, Sports, Science and Technology of Japan. The StPurS diffraction experiment was performed on the BL38B1 beamline at SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI; proposal No. 2009B1639). This project was also supported by the Georgia Research Alliance and the University of Georgia Research Foundation. 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. W-31-109-Eng-38. Data were collected on the Southeast Regional Collaborative Access Team (SER-CAT) 22-BM beamline at the Advanced Photon Source, Argonne National Laboratory. Supporting institutions may be found at http://www.ser-cat.org/members.html. The author contributions are as follows: structural analysis including MD and manuscript preparation, YW, GS, GK; crystal structure determination for TtPurS, HY, MK, GS, GK, SY, SK; crystal structure determination for MjPurS, MK, SB, YA, L-RC, Z-QF, JC, B-CW, AE, SK, SY, GK, GS; crystal structure determination for StPurS, SS, ST, KO, SB, TK, NN, RM, SK, GS, GK. NR 29 TC 0 Z9 0 U1 1 U2 1 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2053-230X J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Commun. PD AUG PY 2016 VL 72 BP 627 EP 635 DI 10.1107/S2053230X1600978X PN 8 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA DS4SV UT WOS:000380772600008 PM 27487927 ER PT J AU Wang, XH Wen, XH Deng, Y Xia, Y Yang, YF Zhou, JZ AF Wang, Xiaohui Wen, Xianghua Deng, Ye Xia, Yu Yang, Yunfeng Zhou, Jizhong TI Distance-Decay Relationship for Biological Wastewater Treatment Plants SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID FUNCTIONAL GENE DIVERSITY; BACTERIAL DIVERSITY; MEMBRANE BIOREACTOR; MICROBIAL COMMUNITIES; BIOGEOGRAPHY; SOIL; CHINA; MICROORGANISMS; SIMILARITY; SEDIMENTS AB Patterns in the spatial distribution of organisms provide important information about mechanisms underlying biodiversity and the complexity of ecosystems. One of the most well-documented spatial patterns is the distance-decay relationship, which is a universal biogeographic pattern observed repeatedly for plant and animal communities, particularly for microorganisms in natural ecosystems such as soil, ocean, and salt marsh sediment. However, it is uncertain whether the microorganisms exhibit a distance-decay pattern in engineered ecosystems. Therefore, we measured the distance-decay relationship across various microbial functional and phylogenetic groups in 26 biological wastewater treatment plants (WWTPs) in China using a functional gene array (GeoChip 4.2). We found that microbial communities of activated sludge in WWTPs exhibited a significant but very weak distance-decay relationship. The taxon-area z values for different functional and phylogenetic groups were <0.0065, which is about 1 to 2 orders of magnitude lower than those observed in microbial communities elsewhere. Variation-partitioning analysis (VPA) showed that the relationships were driven by both environmental heterogeneity and geographic distance. Collectively, these results provided new insights into the spatial scaling of microbial communities in engineering ecosystems and highlighted the importance of environmental heterogeneity and geographic distance in shaping biogeographic patterns. IMPORTANCE Determining the distance-decay relationship of microbial biodiversity is important but challenging in microbial ecology. All studies to date are based on natural environments; thus, it remains unclear whether there is such a relationship in an engineered ecosystem. The present study shows that there is a very weak distance-decay relationship in an engineered ecosystem (WWTPs) at the regional-to-continental scale. This study makes fundamental contributions to a mechanistic, predictive understanding of microbial biogeography. C1 [Wang, Xiaohui; Wen, Xianghua; Xia, Yu; Yang, Yunfeng; Zhou, Jizhong] Tsinghua Univ, Sch Environm, Environm Simulat & Pollut Control State Key Joint, Beijing, Peoples R China. [Wang, Xiaohui] Beijing Univ Chem Technol, Dept Environm Sci & Engn, Beijing, Peoples R China. [Deng, Ye] Chinese Acad Sci, Res Ctr Ecoenvironm Sci, CAS Key Lab Environm Biotechnol, Beijing, Peoples R China. [Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Biol, Norman, OK 73019 USA. [Zhou, Jizhong] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA USA. RP Wen, XH (reprint author), Tsinghua Univ, Sch Environm, Environm Simulat & Pollut Control State Key Joint, Beijing, Peoples R China. EM xhwen@tsinghua.edu.cn RI wen, xianghua/A-7551-2015; OI Yang, Yunfeng/0000-0001-8274-6196; ?, ?/0000-0002-7584-0632 FU National Natural Science Foundation of China (NSFC) [51178239, 51408020]; State Key Joint Laboratory of Environment Simulation and Pollution Control [15L03ESPC]; Tsinghua University Initiative Scientific Research Program [20161080112]; Major Water Project of China and Innovative Research Team in University; Office of the Vice President for Research at the University of Oklahoma; Collaborative Innovation Center for Regional Environmental Quality FX This study was supported by the National Natural Science Foundation of China (NSFC) (51178239 and 51408020), the State Key Joint Laboratory of Environment Simulation and Pollution Control (15L03ESPC), the Tsinghua University Initiative Scientific Research Program (20161080112), the Major Water Project of China and Innovative Research Team in University, the Office of the Vice President for Research at the University of Oklahoma, and the Collaborative Innovation Center for Regional Environmental Quality. NR 43 TC 0 Z9 0 U1 11 U2 25 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2016 VL 82 IS 16 BP 4860 EP 4866 DI 10.1128/AEM.01071-16 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA DS2EG UT WOS:000380550900002 PM 27235444 ER PT J AU LeDoux, SM Szynkiewicz, A Faiia, AM Mayes, MA McKinney, ML Dean, WG AF LeDoux, St. Thomas M. Szynkiewicz, Anna Faiia, Anthony M. Mayes, Melanie A. McKinney, Michael L. Dean, William G. TI Chemical and isotope compositions of shallow groundwater in areas impacted by hydraulic fracturing and surface mining in the Central Appalachian Basin, Eastern United States SO APPLIED GEOCHEMISTRY LA English DT Article DE Methane; Groundwater; Isotopes; Hydraulic fracturing; Surface mining ID DRINKING-WATER WELLS; NORTHEASTERN PENNSYLVANIA; GAS-WELLS; METHANE; ORIGIN; HYDROGEN; OIL; MARCELLUS; SULFUR; CARBON AB Hydraulic fracturing of shale deposits has greatly increased the productivity of the natural gas industry by allowing it to exploit previously inaccessible reservoirs. Previous research has demonstrated that this practice has the potential to contaminate shallow aquifers with methane (CH4) from deeper formations. This study compares concentrations and isotopic compositions of CH4 sampled from domestic groundwater wells in Letcher County, Eastern Kentucky in order to characterize its occurrence and origins in relation to both neighboring hydraulically fractured natural gas wells and surface coal mines. The studied groundwater showed concentrations of CH4 ranging from 0.05 mg/L to 10 mg/L, thus, no immediate remediation is required. The delta C-13 values of CH4 ranged from -66% to -16%, and delta H-2 values ranged from -286% to -86%, suggesting an immature thermogenic and mixed biogenic/thermogenic origin. The occurrence of CH4 was not correlated with proximity to hydraulically fractured natural gas wells. Generally, CH4 occurrence corresponded with groundwater abundant in Na+ ,Cl-, and HCO3-, and with low concentrations of SO42-. The CH4 and SO42- concentrations were best predicted by the oxidation/reduction potential of the studied groundwater. CH4 was abundant in more reducing waters, and SO42- was abundant in more oxidizing waters. Additionally, groundwater in greater proximity to surface mining was more likely to be oxidized. This, in turn, might have increased the likelihood of CH4 oxidation in shallow groundwater. (C) 2016 Elsevier Ltd. All rights reserved. C1 [LeDoux, St. Thomas M.; Szynkiewicz, Anna; Faiia, Anthony M.; McKinney, Michael L.; Dean, William G.] Univ Tennessee, Dept Earth & Planetary Sci, 1412 Circle Dr, Knoxville, TN 37996 USA. [Mayes, Melanie A.] Oak Ridge Natl Lab, Climate Change Inst, POB 2008, Oak Ridge, TN 37831 USA. [Mayes, Melanie A.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. RP LeDoux, SM; Szynkiewicz, A (reprint author), Univ Tennessee, Dept Earth & Planetary Sci, 1412 Circle Dr, Knoxville, TN 37996 USA. EM stthomasledoux@gmail.com; aszynkie@utk.edu FU Ralph E. Powe Junior Faculty Enhancement Award from Oak Ridge Associated Universities; Department of Earth and Planetary Sciences and Graduate Student Senate of the University of Tennessee FX This study was supported by the 2014 Ralph E. Powe Junior Faculty Enhancement Award from Oak Ridge Associated Universities awarded to Anna Szynkiewicz. Additional financial support was provided by the Department of Earth and Planetary Sciences and Graduate Student Senate of the University of Tennessee. We greatly thank Annette Engel and Audrey Patterson for help with chemical analysis, and Justin Coleman, Andre Merino, Jessica Welch, and Caleb Smith for field and lab assistance. Review comments of three anonymous reviewers greatly improved the quality and clarity of this manuscript. NR 52 TC 0 Z9 0 U1 14 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0883-2927 J9 APPL GEOCHEM JI Appl. Geochem. PD AUG PY 2016 VL 71 BP 73 EP 85 DI 10.1016/j.apgeochem.2016.05.007 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DS3JC UT WOS:000380678000007 ER PT J AU Liu, WC Melaet, G Ralston, WT Alayoglu, S Horowitz, Y Ye, R Hurlburt, T Mao, BH Crumlin, E Salmeron, M Somorjai, GA AF Liu, Wen-Chi Melaet, Gerome Ralston, Walter T. Alayoglu, Selim Horowitz, Yonatan Ye, Rong Hurlburt, Tyler Mao, Baohua Crumlin, Ethan Salmeron, Miquel Somorjai, Gabor A. TI Co-Rh Nanoparticles for the Hydrogenation of Carbon Monoxide: Catalytic Performance Towards Alcohol Production and Ambient Pressure X-Ray Photoelectron Spectroscopy Study SO CATALYSIS LETTERS LA English DT Article DE Fischer-Tropsch synthesis; Ambient pressure X-ray photoelectron spectroscopy; Co-Rh bimetallic nanoparticles; Alcohol production ID FISCHER-TROPSCH SYNTHESIS; LONG-CHAIN HYDROCARBONS; SELECTIVITY; PARTICLES AB 5 nm Co-Rh bimetallic nanoparticles with narrow size distributions and three different atomic compositions (2, 10, and 16 % Rh) were synthesized using a colloidal method. The bimetallic nanoparticles were loaded into mesoporous silica support MCF-17 and utilized in the catalytic hydrogenation of CO (Fischer-Tropsch synthesis). As compared to the pure 5 nm Co/MCF-17 catalyst, the bimetallic Co-Rh catalysts showed a similar activity while enhancing the selectivity towards alcohols, as evidenced by an increased ratio of alcohol to hydrocarbon products. Furthermore, larger alcohols such as propanol were formed with the addition of Rh, which is not observed with the pure Co/MCF-17 catalyst. In situ synchrotron based Ambient Pressure X-ray Photoelectron Spectroscopy studies on the Co-Rh samples revealed that Rh is segregated to the surface of the nanoparticles under reaction conditions, which plays an important role in altering the selectivity towards alcohol production. An optimum surface Rh concentration exists at similar to 9 at.%, where a fivefold enhancement in the alcohol-to-hydrocarbon ratio was achieved. [GRAPHICS] C1 [Liu, Wen-Chi; Melaet, Gerome; Ralston, Walter T.; Alayoglu, Selim; Horowitz, Yonatan; Ye, Rong; Hurlburt, Tyler; Somorjai, Gabor A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Liu, Wen-Chi; Melaet, Gerome; Horowitz, Yonatan; Ye, Rong; Salmeron, Miquel; Somorjai, Gabor A.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ralston, Walter T.; Alayoglu, Selim; Hurlburt, Tyler] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Mao, Baohua; Crumlin, Ethan] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Mao, Baohua] Chinese Acad Sci, State Key Lab Funct Mat Informat, Shanghai Inst Microsyst & Informat Technol, Shanghai 200050, Peoples R China. [Salmeron, Miquel] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Somorjai, GA (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM somorjai@berkeley.edu FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy [DE-AC02-05CH11231]; Chemical and Mechanical Properties of Surfaces, Interfaces and Nanostructures program [FWP KC3101]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, U.S. Department of Energy, under Contract DE-AC02-05CH11231, through the Chemical and Mechanical Properties of Surfaces, Interfaces and Nanostructures program (FWP KC3101). The AP-XPS measurements were conducted on beamline 9.3.2 at The Advanced Light Source, which is supported, by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231. NR 21 TC 0 Z9 0 U1 6 U2 7 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X EI 1572-879X J9 CATAL LETT JI Catal. Lett. PD AUG PY 2016 VL 146 IS 8 BP 1574 EP 1580 DI 10.1007/s10562-016-1782-x PG 7 WC Chemistry, Physical SC Chemistry GA DS9RX UT WOS:000381122100026 ER PT J AU Bolin, TB Birdwell, JE Lewan, MD Hill, RJ Grayson, MB Mitra-Kirtley, S Bake, KD Craddock, PR Abdallah, W Pomerantz, AE AF Bolin, Trudy B. Birdwell, Justin E. Lewan, Michael D. Hill, Ronald J. Grayson, Michael B. Mitra-Kirtley, Sudipa Bake, Kyle D. Craddock, Paul R. Abdallah, Wael Pomerantz, Andrew E. TI Sulfur Species in Source Rock Bitumen before and after Hydrous Pyrolysis Determined by X-ray Absorption Near-Edge Structure SO ENERGY & FUELS LA English DT Article ID ARGONNE PREMIUM COALS; STRUCTURE SPECTROSCOPY; PETROLEUM FORMATION; S-XANES; KEROGEN; SHALE; OIL; SPECIATION; ASPHALTENES; FORMS AB The sulfur speciation of source rock bitumen (chloroform-extractable organic matter in sedimentary rocks) was examined using sulfur K-edge X-ray absorption near-edge structure ()CANES) spectroscopy for a suite of 11 source rocks from around the world. Sulfur speciation was determined for both the native bitumen in thermally immature rocks and the bitumen produced by thermal maturation of kerogen via hydrous pyrolysis (360 degrees C for 72 h) and retained within the rock matrix. In this study, the immature bitumens had higher sulfur concentrations than those extracted from samples after hydrous pyrolysis. In addition, dramatic and systematic evolution of the bitumen sulfur moiety distributions following artificial thermal maturation was observed consistently for all samples. Specifically, sulfoxide sulfur (sulfur double bonded to oxygen) is abundant in all immature bitumen samples but decreases substantially following hydrous pyrolysis. The loss in sulfoxide sulfur is associated with a relative increase in the fraction of thiophene sulfur (sulfur bonded to aromatic carbon) to the extent that thiophene is the dominant sulfur form in all post-pyrolysis bitumen samples. This suggests that sulfur moiety distributions might be used for estimating thermal maturity in source rocks based on the character of the extractable organic matter. C1 [Bolin, Trudy B.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Birdwell, Justin E.; Lewan, Michael D.; Hill, Ronald J.] US Geol Survey, Cent Energy Resources Sci Ctr, Denver, CO 80225 USA. [Grayson, Michael B.; Mitra-Kirtley, Sudipa] Rose Hulman Inst Technol, Terre Haute, IN 47803 USA. [Bake, Kyle D.; Craddock, Paul R.; Pomerantz, Andrew E.] Schlumberger Doll Res Ctr, Cambridge, MA 02139 USA. [Abdallah, Wael] Schlumberger Dhahran Carbonate Res Ctr, Dhahran 31942, Saudi Arabia. [Bolin, Trudy B.] Colorado State Univ, Ft Collins, CO 80523 USA. [Hill, Ronald J.] EOG Resources, Denver, CO 80202 USA. RP Bolin, TB (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.; Bolin, TB (reprint author), Colorado State Univ, Ft Collins, CO 80523 USA. EM trudy@rams.colostate.edu OI Birdwell, Justin/0000-0001-8263-1452 FU DOE Office of Science [DE-AC02-06CH11357] FX The authors thank the following U.S. Geological Survey Organic Geochemistry Laboratory personnel for their assistance with this work: Zach Lowry (bitumen extractions and kerogen isolations), Mark Dreier (HAWK), Tom Oliver (TOC), and Augusta Warden (elemental analyses). The authors also thank T. Wu and L. Ma for their beamline support. 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 DE-AC02-06CH11357. Any use of trade, product, or firm names is for descriptive purposes only and does not imply endorsement by the U.S. Government. NR 40 TC 0 Z9 0 U1 12 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD AUG PY 2016 VL 30 IS 8 BP 6264 EP 6270 DI 10.1021/acs.energyfuels.6b00744 PG 7 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DT8XH UT WOS:000381778500009 ER PT J AU Kass, MD Janke, CJ Connatser, RM Lewis, SA Keiser, JR Gaston, K AF Kass, Michael D. Janke, Christopher J. Connatser, Raynella M. Lewis, Samuel A., Sr. Keiser, James R. Gaston, Katherine TI Compatibility Assessment of Fuel System Elastomers with Bio-oil and Diesel Fuel SO ENERGY & FUELS LA English DT Article AB Bio-oil derived via, fast pyrolysis is being developed, as a renewable fuel option for petroleum distillates. The compatibility of neat bio-oil with six elastomer types was evaluated against the elastomer performance in neat diesel fuel, which served as the baseline. The elastomers included two fluorocarbons, six acrylonitrile butadiene rubbers (NBRs), and one type each of fluorosilicone, silicone, styrene butadiene rubber (SBR), polyurethane, and neoprene. Specimens of each material were exposed to the liquid and gaseous phases of the test fuels for 4 weeks at 60 degrees C, and properties in the wetted and dried states were measured. Exposure to bio-oil produced significant volume expansion in the fluorocarbons, NBRs, and fluorosilicone; however, excessive swelling (over 80%) was only observed for the two fluorocarbons and two NBR grades. The polyurethane specimens were completely degraded by the bio-oil. In contrast, both silicone and SBR exhibited lower swelling levels in bio-oil compared to neat diesel fuel. The implication is that, while polyurethane and fluorocarbon may not be acceptable seal materials for bio-oils, silicone may offer a lower cost alternative. C1 [Kass, Michael D.; Janke, Christopher J.; Connatser, Raynella M.; Lewis, Samuel A., Sr.; Keiser, James R.] Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Oak Ridge, TN 37830 USA. [Gaston, Katherine] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Kass, MD (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Oak Ridge, TN 37830 USA. EM kassmd@ornl.gov RI Janke, Christopher/E-1598-2017; OI Janke, Christopher/0000-0002-6076-7188; Gaston, Katherine/0000-0002-1162-0905 FU United States DOE's Bioenergy Technology Office FX This work was supported by the United States DOE's Bioenergy Technology Office. The authors gratefully acknowledge the support and guidance from Jonathan Male and Alicia Lindauer, DOE, and Tim Theiss, ORNL. The authors are also grateful to Esther Wilcox and Katelin Wheeler, NREL, for their help in providing bio-oil and facilitating shipment to ORNL for this study. NR 31 TC 0 Z9 0 U1 4 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 EI 1520-5029 J9 ENERG FUEL JI Energy Fuels PD AUG PY 2016 VL 30 IS 8 BP 6486 EP 6494 DI 10.1021/acs.energyfuels.6b01138 PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DT8XH UT WOS:000381778500033 ER PT J AU Nogales, A Fluerasu, A AF Nogales, Aurora Fluerasu, Andrei TI X Ray Photon Correlation Spectroscopy for the study of polymer dynamics SO EUROPEAN POLYMER JOURNAL LA English DT Article; Proceedings Paper CT 6th Conference on the Synchrotron Radiation in Polymer Science (SRPS) CY SEP, 2015 CL Madrid, SPAIN DE X-Ray Photon Correlation Spectroscopy; Polymers; Synchrotron radiation; Dynamics; Coherent scattering ID CONCENTRATED COLLOIDAL SUSPENSIONS; COMPOSITION PATTERN RELAXATION; DIBLOCK COPOLYMER MELTS; ORDERING TRANSITION; COMPOSITION FLUCTUATIONS; SCATTERING FUNCTION; SILICA PARTICLES; NANOPARTICLES; GLASS; DIFFRACTION AB X Ray Photon Correlation Spectroscopy, XPCS, is a novel technique developed for the study of slow dynamics in condensed matter. The principle of this technique is based on the time variations of the speckle pattern originated by the scattering of coherent light from a material with spatial inhomogeneities. Although laser photon correlation spectroscopy was long established, XPCS has only been possible with the advent of new synchrotron radiation X-ray sources that can provide sufficient coherent flux. The results from these techniques and future perspectives in the field of polymer science are discussed here. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Nogales, Aurora] CSIC, IEM, Madrid, Spain. [Fluerasu, Andrei] Brookhaven Natl Lab, NSLS II, Upton, NY 11973 USA. RP Nogales, A (reprint author), CSIC, IEM, Madrid, Spain. EM aurora.nogales@csic.es RI Nogales, Aurora/A-8768-2008 OI Nogales, Aurora/0000-0002-2494-3551 NR 82 TC 1 Z9 1 U1 11 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0014-3057 EI 1873-1945 J9 EUR POLYM J JI Eur. Polym. J. PD AUG PY 2016 VL 81 BP 494 EP 504 DI 10.1016/j.eurpolymj.2016.03.032 PG 11 WC Polymer Science SC Polymer Science GA DT2RY UT WOS:000381329300041 ER PT J AU Ellis, GJ Martin, MC AF Ellis, Gary J. Martin, Michael C. TI Opportunities and challenges for polymer science using synchrotron-based infrared spectroscopy SO EUROPEAN POLYMER JOURNAL LA English DT Article; Proceedings Paper CT 6th Conference on the Synchrotron Radiation in Polymer Science (SRPS) CY SEP, 2015 CL Madrid, SPAIN DE Synchrotron infrared microspectroscopy; Polymer materials; FTIR; Nano spectroscopy; Imaging ID X-RAY-DIFFRACTION; IMPACT POLYPROPYLENE PARTICLES; FIBER MODEL COMPOSITES; IN-SITU IR; SPATIAL-RESOLUTION; HIGH-PRESSURE; POLARIZATION-MODULATION; LINEAR DICHROISM; ABSORPTION-SPECTROSCOPY; FTIR MICROSPECTROSCOPY AB Many breakthrough advances that are often at the cutting edge of technological development take place at synchrotron facilities. In the case of IR spectroscopy, the last decade has seen important developments in infrared instrumentation incorporated to and developed at synchrotron facilities to take advantages of the characteristics of the bright synchrotron source. In this feature article we describe the origin and nature of synchrotron infrared microspectroscopy, highlighting some of the key developments that will make a future impact in the study of macromolecular materials, and illustrating several applications in the area of polymer science. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Ellis, Gary J.] CSIC, Inst Polymer Sci & Technol ICTP, C Juan Cierva 3, E-28006 Madrid, Spain. [Martin, Michael C.] Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA USA. RP Ellis, GJ (reprint author), CSIC, Inst Polymer Sci & Technol ICTP, C Juan Cierva 3, E-28006 Madrid, Spain. EM gary.ellis@csic.es; MCMartin@lbl.gov OI Ellis, Gary/0000-0003-4851-6092 NR 140 TC 3 Z9 3 U1 8 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0014-3057 EI 1873-1945 J9 EUR POLYM J JI Eur. Polym. J. PD AUG PY 2016 VL 81 BP 505 EP 531 DI 10.1016/j.eurpolymj.2016.02.013 PG 27 WC Polymer Science SC Polymer Science GA DT2RY UT WOS:000381329300042 ER PT J AU Liu, F Brady, MA Wang, C AF Liu, Feng Brady, Michael A. Wang, Cheng TI Resonant soft X-ray scattering for polymer materials SO EUROPEAN POLYMER JOURNAL LA English DT Article; Proceedings Paper CT 6th Conference on the Synchrotron Radiation in Polymer Science (SRPS) CY SEP, 2015 CL Madrid, SPAIN DE RSoXS; X-ray scattering; Polymers; Soft materials; Polarized soft X-rays; Soft X-ray spectroscopy ID ORGANIC THIN-FILMS; HETEROJUNCTION SOLAR-CELLS; BLOCK-COPOLYMER; MOLECULAR-ORIENTATION; INTERNAL STRUCTURE; CASEIN MICELLES; WATER-UPTAKE; MORPHOLOGY; REFLECTIVITY; NANOSTRUCTURES AB Resonant Soft X-ray Scattering (RSoXS) was developed over the last a few years, and the first dedicated resonant soft X-ray scattering beamline for soft materials was constructed at the Advanced Light Source, LBNL. RSoXS combines soft X-ray spectroscopy with X-ray scattering and thus offers statistical information for 3D chemical morphology over a large length scale range from nanometers to micrometers. Using RSoXS to characterize multi length scale soft materials with heterogeneous chemical structures, we have demonstrated that soft X-ray scattering is a unique complementary technique to conventional hard X-ray and neutron scattering. Its unique chemical sensitivity, large accessible size scale, molecular bond orientation sensitivity with polarized X-rays, and high coherence have shown great potential for chemically specific structural characterization for many classes of materials. Published by Elsevier Ltd. C1 [Liu, Feng; Brady, Michael A.; Wang, Cheng] Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Liu, Feng; Brady, Michael A.] Lawrence Berkeley Natl Lab, Div Mat Sci, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Wang, C (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM cwang2@lbl.gov RI Wang, Cheng/A-9815-2014 NR 64 TC 4 Z9 4 U1 11 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0014-3057 EI 1873-1945 J9 EUR POLYM J JI Eur. Polym. J. PD AUG PY 2016 VL 81 BP 555 EP 568 DI 10.1016/j.eurpolymj.2016.04.014 PG 14 WC Polymer Science SC Polymer Science GA DT2RY UT WOS:000381329300044 ER PT J AU Naz, BS Kao, SC Ashfaq, M Rastogi, D Mei, R Bowling, LC AF Naz, Bibi S. Kao, Shih-Chieh Ashfaq, Moetasim Rastogi, Deeksha Mei, Rui Bowling, Laura C. TI Regional hydrologic response to climate change in the conterminous United States using high-resolution hydroclimate simulations SO GLOBAL AND PLANETARY CHANGE LA English DT Article DE Hydroclimate change; Extreme events; CMIP5; RegCM4; VIC ID WESTERN NORTH-AMERICA; DECLINING MOUNTAIN SNOWPACK; ASSIMILATION SYSTEM NLDAS; CHANGE IMPACT ASSESSMENT; COLORADO RIVER-BASIN; LAND-SURFACE FLUXES; WATER-RESOURCES; LARGE-SCALE; BIAS CORRECTION; GLOBAL CLIMATE AB Despite the fact that Global Climate Model (GCM) outputs have been used to project hydrologic impacts of climate change using off-line hydrologic models for two decades, many of these efforts have been disjointed - applications or at least calibrations have been focused on individual river basins and using a few of the available GCMs. This study improves upon earlier attempts by systematically projecting hydrologic impacts for the entire conterminous United States (US), using outputs from ten GCMs from the latest Coupled Model Intercomparison Project phase 5 (CMIP5) archive, with seamless hydrologic model calibration and validation techniques to produce a spatially and temporally consistent set of current hydrologic projections. The Variable Infiltration Capacity (VIC) model was forced with ten-member ensemble projections of precipitation and air temperature that were dynamically downscaled using a regional climate model (RegCM4) and bias-corrected to 1/24 degrees (similar to 4 km) grid resolution for the baseline (1966-2005) and future (2011-2050) periods under the Representative Concentration Pathway 8.5. Based on regional analysis, the VIC model projections indicate an increase in winter and spring total runoff due to increases in winter precipitation of up to 20% in most regions of the US. However, decreases in snow water equivalent (SWE) and snow-covered days will lead to significant decreases in summer runoff with more pronounced shifts in the time of occurrence of annual peak runoff projected over the eastern and western US. In contrast, the central US will experience year-round increases in total runoff, mostly associated with increases in both extreme high and low runoff. The projected hydrological changes described in this study have implications for various aspects of future water resource management, including water supply, flood and drought preparation, and reservoir operation. (C) 2016 Elsevier B.V. All rights reserved. C1 [Naz, Bibi S.; Kao, Shih-Chieh; Ashfaq, Moetasim; Rastogi, Deeksha; Mei, Rui] Oak Ridge Natl Lab, Climate Change Sci Inst, POB 2008, Oak Ridge, TN 37831 USA. [Naz, Bibi S.; Kao, Shih-Chieh] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. [Ashfaq, Moetasim; Rastogi, Deeksha; Mei, Rui] Oak Ridge Natl Lab, Comp Sci & Math Div, POB 2008, Oak Ridge, TN 37831 USA. [Bowling, Laura C.] Purdue Univ, Dept Agron, W Lafayette, IN 47907 USA. RP Kao, SC (reprint author), POB 2008,MS-6038, Oak Ridge, TN 37831 USA. EM kaos@ornl.gov OI Naz, Bibi/0000-0001-9888-1384; Kao, Shih-Chieh/0000-0002-3207-5328 FU Regional and Global Modeling Program, Office of Science, and the Wind and Water Power Technologies Office of the US Department of Energy (DOE); Regional and Global Modeling Program, Office of Energy Efficiency and Renewable Energy of the US Department of Energy (DOE); DOE Report to Congress under Section 9505 of the SECURE Water Act; DOE [DE-AC05-00OR22725]; DOE Public Access Plan FX We thank the editor and anonymous reviewers for their insightful and constructive comments. This study was funded by the Regional and Global Modeling Program, Office of Science, and the Wind and Water Power Technologies Office, Office of Energy Efficiency and Renewable Energy of the US Department of Energy (DOE), and supported a DOE Report to Congress under Section 9505 of the SECURE Water Act of 2009 (Public Law 111-11). This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory (ORNL). The ORNL authors are employees of UT-Battelle, LLC, under contract DE-AC05-00OR22725 with DOE. Accordingly, the US Government retains and the publisher, by accepting the article for publication, acknowledges that the US 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 US Government purposes. The US 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 119 TC 5 Z9 5 U1 27 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0921-8181 EI 1872-6364 J9 GLOBAL PLANET CHANGE JI Glob. Planet. Change PD AUG PY 2016 VL 143 BP 100 EP 117 DI 10.1016/j.gloplacha.2016.06.003 PG 18 WC Geography, Physical; Geosciences, Multidisciplinary SC Physical Geography; Geology GA DS2IU UT WOS:000380594000010 ER PT J AU Lin, JQ Czornomaz, L Daix, N Antoniadis, DA del Alamo, JA AF Lin, Jianqiang Czornomaz, Lukas Daix, Nicolas Antoniadis, Dimitri A. del Alamo, Jesus A. TI Ultrathin Body InGaAs MOSFETs on III-V-On-Insulator Integrated With Silicon Active Substrate (III-V-OIAS) SO IEEE TRANSACTIONS ON ELECTRON DEVICES LA English DT Article DE III-V-On-Insulator; drain-induced barrier lowering (DIBL); mobility; quantum-well MOSFETs; subthreshold swing AB Thin-body self-aligned InGaAs MOSFETs are fabricated on a III-V-On-Insulator structure on a silicon active substrate (III-V-OIAS). The p-type Si active substrate acts as a back gate that can modulate the threshold voltage and other electrical characteristics of the device. This paper explores the physics behind this effect through 2-D simulations and comparison with experiments. In the off-state, we find that the application of a positive body-to-source (Vbs) voltage increases the subthreshold swing but reduces drain-induced barrier lowering. The first effect is related to the electron profile and the location of the centroid of electron charge in the channel while the second is closely associated with the modulation of a depletion region in the silicon substrate. In the on-state, the series resistance is observed to improve under positive Vbs due to the increased accumulation of electrons in the extrinsic portion of the device. In addition, the channel mobility exhibits a two-branch behavior in its dependence on the average vertical electric field in the channel. This is explained by the different interfacial scattering that takes place at the front and back channel surfaces. This paper highlights the tradeoffs involved in attempting to exploit the body bias in the operation of QW-MOSFETs in III-V-On-Insulator with active substrate. C1 [Lin, Jianqiang; Antoniadis, Dimitri A.; del Alamo, Jesus A.] MIT, Microsyst Technol Labs, Cambridge, MA 02139 USA. [Lin, Jianqiang] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Czornomaz, Lukas; Daix, Nicolas] IBM Zurich Res Lab, CH-8803 Ruschlikon, Switzerland. [Daix, Nicolas] Sensirion AG, CH-8712 Stafa, Switzerland. RP Lin, JQ (reprint author), MIT, Microsyst Technol Labs, Cambridge, MA 02139 USA. EM linjq@mit.edu OI Lin, Jianqiang/0000-0002-1958-9789 FU Defense Threat Reduction Agency [HDTRA 1-14-1-0057]; European Union through the Marie Curie [FP7-PEOPLE-2011-IEF-300936 LATICE]; National Science Foundation through the Energy Efficient Electronics Science Center [0939514]; NCN NEEDS [1227020-EEC] FX This work was supported jointly by the Defense Threat Reduction Agency under Grant HDTRA 1-14-1-0057, European Union through the Marie Curie FP7-PEOPLE-2011-IEF-300936 LATICE, National Science Foundation through the Energy Efficient Electronics Science Center under Grant 0939514, and NCN NEEDS under Grant 1227020-EEC. The review of this paper was arranged by Editor A. Hague. NR 22 TC 0 Z9 0 U1 2 U2 3 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9383 EI 1557-9646 J9 IEEE T ELECTRON DEV JI IEEE Trans. Electron Devices PD AUG PY 2016 VL 63 IS 8 BP 3088 EP 3095 DI 10.1109/TED.2016.2579642 PG 8 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA DS0ZE UT WOS:000380324600016 ER PT J AU Stephan, EG Elsethagen, TO Berg, LK Macduff, MC Paulson, PR Shaw, WJ Sivaraman, C Smith, WP Wynne, A AF Stephan, E. G. Elsethagen, T. O. Berg, L. K. Macduff, M. C. Paulson, P. R. Shaw, W. J. Sivaraman, C. Smith, W. P. Wynne, A. TI Semantic catalog of things, services, and data to support a wind data management facility SO INFORMATION SYSTEMS FRONTIERS LA English DT Article DE Web of things; Linked data; Semantic web; Linked services; Atmosphere; Data management facility AB Transparency and data integrity are crucial to any scientific study wanting to garner impact and credibility in the scientific community. The purpose of this paper is to discuss how this can be achieved using what we define as the Semantic Catalog. The catalog exploits community vocabularies as well as linked open data best practices to seamlessly describe and link things, data, and off-the-shelf (OTS) services to support scientific offshore wind energy research for the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) Wind and Water Power Program. This is largely made possible by leveraging collaborative advances in the Internet of Things (IoT), Semantic Web, Linked Services, Linked Open Data (LOD), and Resource Description Framework (RDF) vocabulary communities, which provides the foundation for our design. By adapting these linked community best practices, we designed a wind characterization Data Management Facility (DMF) capable of continuous data collection, processing, and preservation of in situ and remote sensing instrument measurements. The design incorporates the aforementioned Semantic Catalog which provides a transparent and ubiquitous interface for its user community to the things, data, and services for which the DMF is composed. C1 [Stephan, E. G.; Elsethagen, T. O.; Berg, L. K.; Macduff, M. C.; Paulson, P. R.; Shaw, W. J.; Sivaraman, C.; Smith, W. P.] Pacific Northwest Natl Lab, Richland, WA 99354 USA. [Wynne, A.] Robert Bosch LLC, Res & Technol Ctr North Amer, 2835 E Carson St,210, Pittsburgh, PA 15203 USA. RP Stephan, EG (reprint author), Pacific Northwest Natl Lab, Richland, WA 99354 USA. EM eric.stephan@pnnl.gov; todd.elsethagen@pnnl.gov; larry.berg@pnnl.gov; matt.macduff@pnnl.gov; patrick.paulson@pnnl.gov; will.shaw@pnnl.gov; chitra.sivaraman@pnnl.gov; william.smith@pnnl.gov; adam.wynne@us.bosch.com OI Stephan, Eric/0000-0002-8155-6806 FU Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy as part of the Reference Facility for Offshore Renewable Energy (RFORE); DOE [DE-AC06-76RLO 1830] FX This research was supported by the Office of Energy Efficiency and Renewable Energy of the U.S. Department of Energy as part of the Reference Facility for Offshore Renewable Energy (RFORE). The Pacific Northwest National Laboratory is operated for DOE by Battelle Memorial Institute under contract DE-AC06-76RLO 1830. NR 25 TC 2 Z9 2 U1 5 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1387-3326 EI 1572-9419 J9 INFORM SYST FRONT JI Inf. Syst. Front. PD AUG PY 2016 VL 18 IS 4 SI SI BP 679 EP 691 DI 10.1007/s10796-015-9546-5 PG 13 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA DS3WQ UT WOS:000380713800004 ER PT J AU Buensuceso, RNC Nguyen, Y Zhang, K Daniel-Ivad, M Sugiman-Marangos, SN Fleetwood, AD Zhulin, IB Junop, MS Howell, PL Burrows, LL AF Buensuceso, Ryan N. C. Ylan Nguyen Zhang, Kun Daniel-Ivad, Martin Sugiman-Marangos, Seiji N. Fleetwood, Aaron D. Zhulin, Igor B. Junop, Murray S. Howell, P. Lynne Burrows, Lori L. TI The Conserved Tetratricopeptide Repeat-Containing C-Terminal Domain of Pseudomonas aeruginosa FimV Is Required for Its Cyclic AMP-Dependent and -Independent Functions SO JOURNAL OF BACTERIOLOGY LA English DT Article ID TWITCHING MOTILITY; IV PILI; LEGIONELLA-PNEUMOPHILA; STRUCTURE VALIDATION; PROTEIN SEQUENCES; TPR; PATHWAY; SYSTEM; GENES; BIOGENESIS AB FimV is a Pseudomonas aeruginosa inner membrane protein that regulates intracellular cyclic AMP (cAMP) levels-and thus type IV pilus (T4P)-mediated twitching motility and type II secretion (T2S)-by activating the adenylate cyclase CyaB. Its cytoplasmic domain contains three predicted tetratricopeptide repeat (TPR) motifs separated by an unstructured region: two proximal to the inner membrane and one within the "FimV C-terminal domain," which is highly conserved across diverse homologs. Here, we present the crystal structure of the FimV C terminus, FimV(861-919), containing a TPR motif decorated with solvent-exposed, charged side chains, plus a C-terminal capping helix. FimV(689), a truncated form lacking this C-terminal motif, did not restore wild-type levels of twitching or surface piliation compared to the full-length protein. FimV(689) failed to restore wild-type levels of the T4P motor ATPase PilU or T2S, suggesting that it was unable to activate cAMP synthesis. Bacterial two-hybrid analysis showed that TPR3 interacts directly with the CyaB activator, FimL. However, FimV(689) failed to restore wild-type motility in a fimV mutant expressing a constitutively active CyaB (fimV cyaB-R456L), suggesting that the C-terminal motif is also involved in cAMP-independent functions of FimV. The data show that the highly conserved TPR-containing C-terminal domain of FimV is critical for its cAMP-dependent and - independent functions. IMPORTANCE FimV is important for twitching motility and cAMP-dependent virulence gene expression in P. aeruginosa. FimV homologs have been identified in several human pathogens, and their functions are not limited to T4P expression. The C terminus of FimV is remarkably conserved among otherwise very diverse family members, but its role is unknown. We provide here biological evidence for the importance of the C-terminal domain in both cAMP-dependent (through FimL) and - independent functions of FimV. We present X-ray crystal structures of the conserved C-terminal domain and identify a consensus sequence for the C-terminal TPR within the conserved domain. Our data extend our knowledge of FimV's functionally important domains, and the structures and consensus sequences provide a foundation for studies of FimV and its homologs. C1 [Buensuceso, Ryan N. C.; Ylan Nguyen; Zhang, Kun; Daniel-Ivad, Martin; Sugiman-Marangos, Seiji N.; Junop, Murray S.; Burrows, Lori L.] McMaster Univ, Dept Biochem & Biomed Sci, Hamilton, ON, Canada. [Buensuceso, Ryan N. C.; Ylan Nguyen; Zhang, Kun; Daniel-Ivad, Martin; Sugiman-Marangos, Seiji N.; Junop, Murray S.; Burrows, Lori L.] McMaster Univ, Michael G DeGroote Inst Infect Dis Res, Hamilton, ON, Canada. [Howell, P. Lynne] Hosp Sick Children, Program Mol Struct & Funct, Toronto, ON, Canada. [Howell, P. Lynne] Univ Toronto, Dept Biochem, Toronto, ON, Canada. [Zhang, Kun; Junop, Murray S.] Western Univ, Dept Biochem, London, ON, Canada. [Fleetwood, Aaron D.; Zhulin, Igor B.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Fleetwood, Aaron D.; Zhulin, Igor B.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. RP Burrows, LL (reprint author), McMaster Univ, Dept Biochem & Biomed Sci, Hamilton, ON, Canada.; Burrows, LL (reprint author), McMaster Univ, Michael G DeGroote Inst Infect Dis Res, Hamilton, ON, Canada.; Howell, PL (reprint author), Hosp Sick Children, Program Mol Struct & Funct, Toronto, ON, Canada.; Howell, PL (reprint author), Univ Toronto, Dept Biochem, Toronto, ON, Canada. EM howell@sickkids.ca; burrowl@mcmaster.ca OI Zhulin, Igor/0000-0002-6708-5323 FU HHS \ National Institutes of Health (NIH) [R01GM072285]; HHS \ NIH \ National Center for Research Resources (NCRR) [P41RR012408]; HHS \ NIH \ National Institute of General Medical Sciences (NIGMS) [P41GM103473]; Gouvernement du Canada \ Canadian Institutes of Health Research (CIHR) [MOP 93585, MOP 89903] FX This work, including the efforts of Igor B. Zhulin, was funded by HHS vertical bar National Institutes of Health (NIH) (R01GM072285). This work, including the efforts of Murray S. Junop and Patricia Lynne Howell, was funded by HHS vertical bar NIH vertical bar National Center for Research Resources (NCRR) (P41RR012408). This work, including the efforts of Murray S. Junop and Patricia Lynne Howell, was funded by HHS vertical bar NIH vertical bar National Institute of General Medical Sciences (NIGMS) (P41GM103473). This work, including the efforts of Murray S. Junop, Patricia Lynne Howell, and Lori L. Burrows, was funded by Gouvernement du Canada vertical bar Canadian Institutes of Health Research (CIHR) (MOP 93585 and MOP 89903). NR 63 TC 1 Z9 1 U1 3 U2 3 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD AUG PY 2016 VL 198 IS 16 BP 2263 EP 2274 DI 10.1128/JB.00322-16 PG 12 WC Microbiology SC Microbiology GA DS5JQ UT WOS:000380818500014 PM 27297880 ER PT J AU Powell, JD Chen, Q Mason, HS AF Powell, Joshua D. Chen, Qiang Mason, Hugh S. TI A cytometry microparticle platform approach for screening tobacco microRNA changes after agrobacterium delivery SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE Agrobacterium tumefaciens; Ebola; Tobacco; Nicotiana benthamiana ID ENCODED GEL MICROPARTICLES; PLANT STRESS RESPONSES; MONOCLONAL-ANTIBODIES; NICOTIANA-BENTHAMIANA; VIRUS; IDENTIFICATION; ARABIDOPSIS; RNAS AB MicroRNAs are a class of non-coding regulatory RNAs that can modulate development as well as alter innate antiviral defenses in plants. In this study we explored changes in Nicotiana benthamiana tobacco microRNA expression as it relates to expression of a recombinant anti-Ebola GP1 antibody. The antibody was delivered to tobacco leaves through a bacterial Agrobacterium tumefaciens "agroinfiltration" expression strategy. A multiplex micro particle-based cytometry assay tracked the expression changes of 53 host tobacco microRNAs. Our results revealed that the most abundant microRNAs in actively growing leaves corresponded to nanoparticle probes specific to nta-mir-6149 and nta-miR-168b. After agroinfiltration, probes specific for nta-mir-398, and nta-mir-482d were significantly altered in their respective expression levels, however changes were partially attributed to the infiltration broth medium used in the antibody delivery process. Confirmation of nta-mir-398 and nta-mir-482d expression changes was also verified through RT-qPCR. To our knowledge this study is the first to profile medium and Agrobacterium injection at the microRNA level through a multiplex microparticle approach. (C) 2016 Elsevier B.V. All rights reserved. C1 [Powell, Joshua D.] Pacific Northwest Natl Lab, Chem & Biol Signature Sci Grp, POB 999,MSIN P7-50, Richland, WA 99354 USA. [Chen, Qiang; Mason, Hugh S.] Arizona State Univ, Biodesign Inst, Tempe, AZ 85287 USA. [Chen, Qiang; Mason, Hugh S.] Arizona State Univ, Sch Life Sci, Tempe, AZ 85287 USA. RP Powell, JD (reprint author), Pacific Northwest Natl Lab, Chem & Biol Signature Sci Grp, POB 999,MSIN P7-50, Richland, WA 99354 USA. EM joshua.powell@pnnl.gov OI chen, qiang/0000-0003-1498-7013 FU United States Department of Energy [DE-AC06-76RLO]; Pacific Northwest National Laboratory [SA95470-N38540] FX Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the United States Department of Energy under contract DE-AC06-76RLO. Pacific Northwest National Laboratory 2015 NSD Innovation award SA95470-N38540 was used to offset the cost of this project. NR 27 TC 0 Z9 0 U1 7 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 EI 1872-8359 J9 J MICROBIOL METH JI J. Microbiol. Methods PD AUG PY 2016 VL 127 BP 230 EP 235 DI 10.1016/j.mimet.2016.06.023 PG 6 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA DS2PA UT WOS:000380624800039 PM 27343681 ER PT J AU Hicks, BB Hunter, CH Weber, AH AF Hicks, B. B. Hunter, C. H. Weber, A. H. TI On dispersion above a forestMeasurements and methods SO JOURNAL OF THE AIR & WASTE MANAGEMENT ASSOCIATION LA English DT Article ID PARAMETERS; SCHEMES; MODELS AB Data collected over a mixed conifer/deciduous forest at the U.S. Department of Energy's Savannah River Site in South Carolina using sonic anemometry reveal that on-site and real-time measurements of the velocity component standard deviations, sigma(v) and sigma(w), are preferred for dispersion modeling. Such data are now easily accessible, from the outputs of cost-effective and rugged sonic anemometers. The data streams from these devices allow improvements to conventional methodologies for dispersion modeling. In particular, extrapolation of basic input data from a nearby location to the site of the actual release can be facilitated. In this regard reliance on the velocity statistics sigma(v) and sigma(w) appears to be preferred to the conventional sigma and sigma. In the forest situations addressed here, the uncertainties introduced by extrapolating initializing properties (u, , sigma, and sigma(phi), or alternatively, sigma(v) and sigma(w)) from some location of actual measurement to some nearby location where an actual release occurs are similar to those associated with the spread of the plume itself and must be considered in any prediction of the likelihood of downwind concentration (exposure) exceeding some critical value, i.e., a regulatory standard. Consideration of plume expansion factors related to meander will not necessarily cause predicted downwind maxima within a particular plume to be decreased; however, the probability of exposure to this maximum value at any particular location will be reduced. Three-component sonic anemometers are affordable and reliable, and are now becoming a standard for meteorological monitoring programs subject to regulatory oversight. The time has come for regulatory agencies and the applied dispersion community to replace the traditional discrete sets of dispersion coefficients based on Pasquill stability by the direct input of measured turbulence data.Implications: The continued endorsement of legacy Pasquill-Gifford stability schemes is presently under discussion among professional groups and regulatory agencies. The present paper is an attempt to introduce some rationality, for the case of a forested environment. C1 [Hicks, B. B.] Metcorps, POB 1510, Norris, TN 37828 USA. [Hunter, C. H.] Savannah River Natl Lab, Atmospher Technol Grp, Aiken, SC USA. [Weber, A. H.] Savannah River Natl Lab, Atmospher Dispers Commun, Aiken, SC USA. RP Hicks, BB (reprint author), Metcorps, POB 1510, Norris, TN 37828 USA. EM hicks.metcorps@gmail.com NR 33 TC 0 Z9 0 U1 1 U2 1 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1096-2247 EI 2162-2906 J9 J AIR WASTE MANAGE JI J. Air Waste Manage. Assoc. PD AUG PY 2016 VL 66 IS 8 BP 768 EP 785 DI 10.1080/10962247.2016.1178189 PG 18 WC Engineering, Environmental; Environmental Sciences; Meteorology & Atmospheric Sciences SC Engineering; Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DT3JP UT WOS:000381377300004 PM 27104662 ER PT J AU Chen, X Song, YT Tamura, N James, RD AF Chen, Xian Song, Yintao Tamura, Nobumichi James, Richard D. TI Determination of the stretch tensor for structural transformations SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Phase transformation; Geometrically nonlinear theory of martensite; Crystallography; Lattice Correspondence ID SHAPE-MEMORY ALLOYS; PHASE-TRANSFORMATION; HYSTERESIS; MICROSTRUCTURE; DRIVEN AB Structural transformations in crystalline solids are increasingly the basis of the functional behavior of materials. Recently, in diverse alloy systems, both low hysteresis and reversibility of phase transformations have been linked to the satisfaction of the non generic conditions of compatibility between phases. According to the Cauchy-Born rule, these conditions are expressed as properties of transformation stretch tensor. The transformation stretch tensor is difficult to measure directly due to the lack of knowledge about the exact transforming pathway during the structural change, and the complicating effects of microstructure. In this paper we give a rigorous algorithmic approach for determining the transformation stretch tensor from X-ray measurements of structure and lattice parameters. For some traditional and emerging phase transformations, the results given by the algorithm suggest unexpected transformation mechanisms. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Chen, Xian; Song, Yintao; James, Richard D.] Univ Minnesota, Aerosp Engn & Mech, Minneapolis, MN 55455 USA. [Chen, Xian; Tamura, Nobumichi] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94702 USA. [Chen, Xian] Hong Kong Univ Sci & Technol, Mech & Aerosp Engn, Hong Kong, Hong Kong, Peoples R China. RP James, RD (reprint author), Univ Minnesota, Aerosp Engn & Mech, Minneapolis, MN 55455 USA. EM james@umn.edu FU MURI Project Managing the Mosaic of Microstructure [FA9550-12-1-0458]; NSF-PIRE [OISE-0967140]; ONR [N00014-14-1-0714]; AFOSR [FA9550-15-1-0207]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Liping Liu, Robert Kohn, Kaushik Bhattacharya, Anton Muhlemann and Konstantinos Koumatos for helpful discussions during the preparation of this work. X.C., Y.S., and R.D.J. acknowledge the support of the MURI Project Managing the Mosaic of Microstructure (FA9550-12-1-0458, administered by AFOSR), NSF-PIRE (OISE-0967140), ONR (N00014-14-1-0714) and AFOSR FA9550-15-1-0207. 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. X.S. and N.T. would like to thank Alastair McDowell and Scott DiMaggio for their assistance on the technical design and construction of the sample heating stage. NR 27 TC 0 Z9 0 U1 10 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 EI 1873-4782 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD AUG PY 2016 VL 93 SI SI BP 34 EP 43 DI 10.1016/j.jmps.2016.02.009 PG 10 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA DS2KU UT WOS:000380599200005 ER PT J AU Rodriguez-Torres, SA Chuang, CH Prada, F Guo, H Klypin, A Behroozi, P Hahn, CH Comparat, J Yepes, G Montero-Dorta, AD Brownstein, JR Maraston, C McBride, CK Tinker, J Gottlober, S Favole, G Shu, YP Kitaura, FS Bolton, A Scoccimarro, R Samushia, L Schlegel, D Schneider, DP Thomas, D AF Rodriguez-Torres, Sergio A. Chuang, Chia-Hsun Prada, Francisco Guo, Hong Klypin, Anatoly Behroozi, Peter Hahn, Chang Hoon Comparat, Johan Yepes, Gustavo Montero-Dorta, Antonio D. Brownstein, Joel R. Maraston, Claudia McBride, Cameron K. Tinker, Jeremy Gottloeber, Stefan Favole, Ginevra Shu, Yiping Kitaura, Francisco-Shu Bolton, Adam Scoccimarro, Roman Samushia, Lado Schlegel, David Schneider, Donald P. Thomas, Daniel TI The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: modelling the clustering and halo occupation distribution of BOSS CMASS galaxies in the Final Data Release SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: numerical; galaxies: abundances; galaxies: haloes; large-scale structure of Universe ID DIGITAL SKY SURVEY; LUMINOUS RED GALAXIES; DARK-MATTER HALOES; REDSHIFT-SPACE; GRAVITATIONAL-INSTABILITY; ACOUSTIC-OSCILLATIONS; VELOCITY-DISPERSION; PERTURBATION-THEORY; COLOR DEPENDENCE; MASSIVE GALAXIES AB We present a study of the clustering and halo occupation distribution of Baryon Oscillation Spectroscopic Survey (BOSS) CMASS galaxies in the redshift range 0.43 < z < 0.7 drawn from the Final SDSS-III Data Release. We compare the BOSS results with the predictions of a halo abundance matching (HAM) clustering model that assigns galaxies to dark matter haloes selected from the large BigMultiDark N-body simulation of a flat I > cold dark matter Planck cosmology. We compare the observational data with the simulated ones on a light cone constructed from 20 subsequent outputs of the simulation. Observational effects such as incompleteness, geometry, veto masks and fibre collisions are included in the model, which reproduces within 1 sigma errors the observed monopole of the two-point correlation function at all relevant scales: from the smallest scales, 0.5 h(-1) Mpc, up to scales beyond the baryon acoustic oscillation feature. This model also agrees remarkably well with the BOSS galaxy power spectrum (up to k similar to 1 h Mpc(-1)), and the three-point correlation function. The quadrupole of the correlation function presents some tensions with observations. We discuss possible causes that can explain this disagreement, including target selection effects. Overall, the standard HAM model describes remarkably well the clustering statistics of the CMASS sample. We compare the stellar-to-halo mass relation for the CMASS sample measured using weak lensing in the Canada-France-Hawaii Telescope Stripe 82 Survey with the prediction of our clustering model, and find a good agreement within 1 sigma. The BigMD-BOSS light cone including properties of BOSS galaxies and halo properties is made publicly available. C1 [Rodriguez-Torres, Sergio A.; Chuang, Chia-Hsun; Prada, Francisco; Klypin, Anatoly; Comparat, Johan; Favole, Ginevra] Univ Autonoma Madrid, Inst Fis Teor, CSIC, E-28049 Madrid, Spain. [Rodriguez-Torres, Sergio A.; Prada, Francisco; Favole, Ginevra] Univ Autonoma Madrid, Campus Int Excellence, CSIC, E-28049 Madrid, Spain. [Rodriguez-Torres, Sergio A.; Comparat, Johan; Yepes, Gustavo] Univ Autonoma Madrid, Dept Fis Teor M8, E-28049 Madrid, Spain. [Chuang, Chia-Hsun; Gottloeber, Stefan; Kitaura, Francisco-Shu] Leibniz Inst Astrophys Potsdam AIP, D-14482 Potsdam, Germany. [Prada, Francisco; Schlegel, David] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Prada, Francisco] CSIC, Inst Astrofis Andalucia, Glorieta Astron, E-18080 Granada, Spain. [Guo, Hong] Chinese Acad Sci, Shanghai Astron Observ, Shanghai 20030, Peoples R China. [Guo, Hong; Montero-Dorta, Antonio D.; Brownstein, Joel R.; Shu, Yiping; Bolton, Adam] Univ Utah, Dept Phys & Astron, 115 South,1400 East, Salt Lake City, UT 84112 USA. [Klypin, Anatoly] New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. [Behroozi, Peter] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA. [Hahn, Chang Hoon; Tinker, Jeremy; Scoccimarro, Roman] NYU, Dept Phys, Ctr Cosmol & Particle Phys, 4 Washington Pl, New York, NY 10003 USA. [Maraston, Claudia; Samushia, Lado; Thomas, Daniel] Univ Portsmouth, Inst Cosmol & Gravitat, Dennis Sciama Bldg, Portsmouth PO1 3FX, Hants, England. [McBride, Cameron K.] Harvard Univ, Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. [Samushia, Lado] Kansas State Univ, Dept Phys, 116 Cardwell Hall, Manhattan, KS 66506 USA. [Samushia, Lado] Ilia State Univ, Natl Abastumani Astrophys Observ, 2A Kazbegi Ave, GE-1060 Tbilisi, Rep of Georgia. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. RP Rodriguez-Torres, SA (reprint author), Univ Autonoma Madrid, Inst Fis Teor, CSIC, E-28049 Madrid, Spain.; Rodriguez-Torres, SA (reprint author), Univ Autonoma Madrid, Campus Int Excellence, CSIC, E-28049 Madrid, Spain.; Rodriguez-Torres, SA (reprint author), Univ Autonoma Madrid, Dept Fis Teor M8, E-28049 Madrid, Spain. EM sergio.rodriguez@uam.es FU Campus de Excelencia Internacional UAM/CSIC; PRACE [2012060963]; Spanish MICINNs Consolider-Ingenio Programme [MultiDark CSD2009-00064]; MINECO Centro de Excelencia Severo Ochoa Programme [SEV-2012-0249, AYA2014-60641-C2-1-P]; MINECO (Spain) [AYA2012-31101, FPA2012-34694]; Consolider Ingenio SyeC [CSD2007-0050]; Spanish MEC' Salvador de Madariaga' programme [PRX14/00444]; Ministerio de Educacion y Ciencia of the Spanish Government through FPI [AYA2010-2131-C02-01]; Karl-Schwarzschild Program from the Leibniz Society; Alfred P. Sloan Foundation; Participating Institutions; National Science Foundation; US Department of Energy Office of Science FX SRT is grateful for support from the Campus de Excelencia Internacional UAM/CSIC. SRT also thanks Fernando Campos del Pozo for useful discussions and help while developing the SUGAR code.; The BigMultiDark simulations have been performed on the SuperMUC supercomputer at the Leibniz-Rechenzentrum (LRZ) in Munich, using the computing resources awarded to the PRACE project number 2012060963. The authors want to thank V. Springel for providing them with the optimized version of GADGET-2.; SRT, CC, FP, AK, FSK, GF and SG acknowledge support from the Spanish MICINNs Consolider-Ingenio 2010 Programme under grant MultiDark CSD2009-00064, MINECO Centro de Excelencia Severo Ochoa Programme under grant SEV-2012-0249 and grant AYA2014-60641-C2-1-P. GY acknowledges support from MINECO (Spain) under research grants AYA2012-31101 and FPA2012-34694 and Consolider Ingenio SyeC CSD2007-0050. FP wishes to thank the Lawrence Berkeley National Laboratory for the hospitality during the development of this work. FP also acknowledges the Spanish MEC' Salvador de Madariaga' programme, Ref. PRX14/00444.; CH also wants to thank the Instituto de Fisica Teorica UAM/CSIC for the hospitality during his summer visit, where part of this work was completed. GF acknowledges financial support from the Ministerio de Educacion y Ciencia of the Spanish Government through FPI grant AYA2010-2131-C02-01. FSK acknowledges the support of the Karl-Schwarzschild Program from the Leibniz Society.; Funding for SDSS-III has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation and the US Department of Energy Office of Science. The SDSS-III website is http://www.sdss3.org/. NR 79 TC 9 Z9 9 U1 1 U2 2 PU OXFORD UNIV PRESS 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 AUG 1 PY 2016 VL 460 IS 2 BP 1173 EP 1187 DI 10.1093/mnras/stw1014 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DR3WH UT WOS:000379832800002 ER PT J AU Abbott, T Abdalla, FB Aleksic, J Allam, S Amara, A Bacon, D Balbinot, E Banerji, M Bechtol, K Benoit-Levy, A Bernstein, GM Bertin, E Blazek, J Bonnett, C Bridle, S Brooks, D Brunner, RJ Buckley-Geer, E Burke, DL Caminha, GB Capozzi, D Carlsen, J Carnero-Rosell, A Carollo, M Carrasco-Kind, M Carretero, J Castander, FJ Clerkin, L Collett, T Conselice, C Crocce, M Cunha, CE D'Andrea, CB da Costa, LN Davis, TM Desai, S Diehl, HT Dietrich, JP Dodelson, S Doel, P Drlica-Wagner, A Estrada, J Etherington, J Evrard, AE Fabbri, J Finley, DA Flaugher, B Foley, RJ Fosalba, P Frieman, J Garcia-Bellido, J Gaztanaga, E Gerdes, DW Giannantonio, T Goldstein, DA Gruen, D Gruendl, RA Guarnieri, P Gutierrez, G Hartley, W Honscheid, K Jain, B James, DJ Jeltema, T Jouvel, S Kessler, R King, A Kirk, D Kron, R Kuehn, K Kuropatkin, N Lahav, O Li, TS Lima, M Lin, H Maia, MAG Makler, M Manera, M Maraston, C Marshall, JL Martini, P McMahon, RG Melchior, P Merson, A Miller, CJ Miquel, R Mohr, JJ Morice-Atkinson, X Naidoo, K Neilsen, E Nichol, RC Nord, B Ogando, R Ostrovski, F Palmese, A Papadopoulos, A Peiris, HV Peoples, J Percival, WJ Plazas, AA Reed, SL Refregier, A Romer, AK Roodman, A Ross, A Rozo, E Rykoff, ES Sadeh, I Sako, M Sanchez, C Sanchez, E Santiago, B Scarpine, V Schubnell, M Sevilla-Noarbe, I Sheldon, E Smith, M Smith, RC Soares-Santos, M Sobreira, F Soumagnac, M Suchyta, E Sullivan, M Swanson, M Tarle, G Thaler, J Thomas, D Thomas, RC Tucker, D Vieira, JD Vikram, V Walker, AR Wechsler, RH Weller, J Wester, W Whiteway, L Wilcox, H Yanny, B Zhang, Y Zuntz, J AF Abbott, T. Abdalla, F. B. Aleksic, J. Allam, S. Amara, A. Bacon, D. Balbinot, E. Banerji, M. Bechtol, K. Benoit-Levy, A. Bernstein, G. M. Bertin, E. Blazek, J. Bonnett, C. Bridle, S. Brooks, D. Brunner, R. J. Buckley-Geer, E. Burke, D. L. Caminha, G. B. Capozzi, D. Carlsen, J. Carnero-Rosell, A. Carollo, M. Carrasco-Kind, M. Carretero, J. Castander, F. J. Clerkin, L. Collett, T. Conselice, C. Crocce, M. Cunha, C. E. D'Andrea, C. B. da Costa, L. N. Davis, T. M. Desai, S. Diehl, H. T. Dietrich, J. P. Dodelson, S. Doel, P. Drlica-Wagner, A. Estrada, J. Etherington, J. Evrard, A. E. Fabbri, J. Finley, D. A. Flaugher, B. Foley, R. J. Fosalba, P. Frieman, J. Garcia-Bellido, J. Gaztanaga, E. Gerdes, D. W. Giannantonio, T. Goldstein, D. A. Gruen, D. Gruendl, R. A. Guarnieri, P. Gutierrez, G. Hartley, W. Honscheid, K. Jain, B. James, D. J. Jeltema, T. Jouvel, S. Kessler, R. King, A. Kirk, D. Kron, R. Kuehn, K. Kuropatkin, N. Lahav, O. Li, T. S. Lima, M. Lin, H. Maia, M. A. G. Makler, M. Manera, M. Maraston, C. Marshall, J. L. Martini, P. McMahon, R. G. Melchior, P. Merson, A. Miller, C. J. Miquel, R. Mohr, J. J. Morice-Atkinson, X. Naidoo, K. Neilsen, E. Nichol, R. C. Nord, B. Ogando, R. Ostrovski, F. Palmese, A. Papadopoulos, A. Peiris, H. V. Peoples, J. Percival, W. J. Plazas, A. A. Reed, S. L. Refregier, A. Romer, A. K. Roodman, A. Ross, A. Rozo, E. Rykoff, E. S. Sadeh, I. Sako, M. Sanchez, C. Sanchez, E. Santiago, B. Scarpine, V. Schubnell, M. Sevilla-Noarbe, I. Sheldon, E. Smith, M. Smith, R. C. Soares-Santos, M. Sobreira, F. Soumagnac, M. Suchyta, E. Sullivan, M. Swanson, M. Tarle, G. Thaler, J. Thomas, D. Thomas, R. C. Tucker, D. Vieira, J. D. Vikram, V. Walker, A. R. Wechsler, R. H. Weller, J. Wester, W. Whiteway, L. Wilcox, H. Yanny, B. Zhang, Y. Zuntz, J. CA Dark Energy Survey Collaboration TI The Dark Energy Survey: more than dark energy - an overview SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE surveys; minor planets, asteroids: general; supernovae: general; Galaxy: general; galaxies: general; quasars: general ID LARGE-MAGELLANIC-CLOUD; DIGITAL-SKY-SURVEY; BRIGHTEST CLUSTER GALAXIES; ACTIVE GALACTIC NUCLEI; SUPERMASSIVE BLACK-HOLES; GRAVITATIONALLY LENSED QUASARS; SCIENCE VERIFICATION DATA; STAR-FORMING GALAXIES; STELLAR MASS FUNCTION; MILKY-WAY SATELLITES AB This overview paper describes the legacy prospect and discovery potential of the Dark Energy Survey (DES) beyond cosmological studies, illustrating it with examples from the DES early data. DES is using a wide-field camera (DECam) on the 4 m Blanco Telescope in Chile to image 5000 sq deg of the sky in five filters (grizY). By its completion, the survey is expected to have generated a catalogue of 300 million galaxies with photometric redshifts and 100 million stars. In addition, a time-domain survey search over 27 sq deg is expected to yield a sample of thousands of Type Ia supernovae and other transients. The main goals of DES are to characterize dark energy and dark matter, and to test alternative models of gravity; these goals will be pursued by studying large-scale structure, cluster counts, weak gravitational lensing and Type Ia supernovae. However, DES also provides a rich data set which allows us to study many other aspects of astrophysics. In this paper, we focus on additional science with DES, emphasizing areas where the survey makes a difference with respect to other current surveys. The paper illustrates, using early data (from 'Science Verification', and from the first, second and third seasons of observations), what DES can tell us about the Solar system, the Milky Way, galaxy evolution, quasars and other topics. In addition, we show that if the cosmological model is assumed to be I >+cold dark matter, then important astrophysics can be deduced from the primary DES probes. Highlights from DES early data include the discovery of 34 trans-Neptunian objects, 17 dwarf satellites of the Milky Way, one published z > 6 quasar (and more confirmed) and two published superluminous supernovae (and more confirmed). C1 [Abbott, T.; James, D. J.; Smith, R. C.; Walker, A. R.] Cerro Tololo Interamer Observ, Natl Opt Astron Observ, La Serena, Chile. [Abdalla, F. B.; Benoit-Levy, A.; Brooks, D.; Clerkin, L.; Doel, P.; Fabbri, J.; Jouvel, S.; Kirk, D.; Lahav, O.; Manera, M.; Merson, A.; Naidoo, K.; Palmese, A.; Peiris, H. V.; Sadeh, I.; Soumagnac, M.; Whiteway, L.] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. [Aleksic, J.; Carretero, J.; Miquel, R.; Sanchez, C.] Barcelona Inst Sci & Technol, IFAE, Campus UAB, E-08193 Bellaterra, Barcelona, Spain. [Allam, S.; Buckley-Geer, E.; Diehl, H. T.; Dodelson, S.; Drlica-Wagner, A.; Estrada, J.; Finley, D. A.; Flaugher, B.; Frieman, J.; Gutierrez, G.; Kuropatkin, N.; Lin, H.; Neilsen, E.; Nord, B.; Peoples, J.; Scarpine, V.; Soares-Santos, M.; Sobreira, F.; Tucker, D.; Wester, W.; Yanny, B.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Amara, A.; Hartley, W.; Refregier, A.] Swiss Fed Inst Technol, Dept Phys, Wolfgang Pauli Str 16, CH-8093 Zurich, Switzerland. [Bacon, D.; Capozzi, D.; Carlsen, J.; Collett, T.; D'Andrea, C. B.; Etherington, J.; Guarnieri, P.; Maraston, C.; Morice-Atkinson, X.; Nichol, R. C.; Papadopoulos, A.; Percival, W. J.; Thomas, D.; Wilcox, H.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Balbinot, E.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Banerji, M.; Giannantonio, T.; McMahon, R. G.; Ostrovski, F.; Reed, S. L.] Univ Cambridge, Kavli Inst Cosmol, Madingley Rd, Cambridge CB3 0HA, England. [Banerji, M.; Giannantonio, T.; McMahon, R. G.; Ostrovski, F.; Reed, S. L.] Univ Cambridge, Inst Astron, Madingley Rd, Cambridge CB3 0HA, England. [Bechtol, K.] Wisconsin IceCube Particle Astrophys Ctr WIPAC, Madison, WI 53703 USA. [Bechtol, K.] Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. [Benoit-Levy, A.; Bertin, E.] Univ Paris 06, Sorbonne Univ, UMR 7095, Inst Astrophys Paris, F-75014 Paris, France. [Benoit-Levy, A.; Bertin, E.] CNRS, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Bernstein, G. M.; Jain, B.; Sako, M.; Suchyta, E.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Blazek, J.; Honscheid, K.; Martini, P.; Ross, A.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Bonnett, C.] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. [Bridle, S.; Zuntz, J.] Univ Manchester, Sch Phys & Astron, Jodrell Bank Ctr Astrophys, Oxford Rd, Manchester M13 9PL, Lancs, England. [Brunner, R. J.; Foley, R. J.; Thaler, J.; Vieira, J. D.] Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. [Brunner, R. J.; Carrasco-Kind, M.; Gruendl, R. A.; Vieira, J. D.] Natl Ctr Supercomp Applicat, 1205 West Clark St, Figure, IL 61801 USA. [Burke, D. L.; Cunha, C. E.; Gruen, D.; Roodman, A.; Rykoff, E. S.; Wechsler, R. H.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, POB 2450, Stanford, CA 94305 USA. [Burke, D. L.; Gruen, D.; Roodman, A.; Rykoff, E. S.; Wechsler, R. H.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Caminha, G. B.; Makler, M.] Ctr Brasileiro Pesquisas Fis, ICRA, Rua Dr Xavier Sigaud 150, BR-22290180 Rio De Janeiro, RJ, Brazil. [Caminha, G. B.] Univ Ferrara, Dipartimento Fis & Sci Terra, Via Saragat 1, I-44122 Ferrara, Italy. [Carnero-Rosell, A.; da Costa, L. N.; Maia, M. A. G.; Ogando, R.] Observ Nacl, Rua Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Carnero-Rosell, A.; da Costa, L. N.; Lima, M.; Maia, M. A. G.; Ogando, R.; Santiago, B.; Sobreira, F.] Lab Interinst & Astron LIneA, Rua Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Carollo, M.] Swiss Fed Inst Technol, Inst Astron, CH-8093 Zurich, Switzerland. [Carrasco-Kind, M.; Foley, R. J.; Gruendl, R. A.; Sevilla-Noarbe, I.; Vieira, J. D.] Univ Illinois, Dept Astron, 1002 W Green St, Urbana, IL 61801 USA. [Carretero, J.; Castander, F. J.; Crocce, M.; Fosalba, P.; Gaztanaga, E.] CSIC, IEEC, Inst Ciencies Espai, Campus UAB,Carrer Can Magrans S-N, E-08193 Barcelona, Spain. [Conselice, C.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. [Davis, T. M.; King, A.] Univ Queensland, Sch Math & Phys, Brisbane, Qld 4072, Australia. [Desai, S.; Dietrich, J. P.; Mohr, J. J.; Weller, J.] Excellence Cluster Universe, Boltzmannstr 2, D-85748 Garching, Germany. [Desai, S.; Dietrich, J. P.; Mohr, J. J.] Univ Munich, Fac Phys, Scheinerstr 1, D-81679 Munich, Germany. [Dodelson, S.; Kessler, R.; Kron, R.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Dodelson, S.; Frieman, J.; Kessler, R.] Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Evrard, A. E.; Gerdes, D. W.; Miller, C. J.; Schubnell, M.; Tarle, G.; Zhang, Y.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Evrard, A. E.; Miller, C. J.] Univ Michigan, Dept Astron, Ann Arbor, MI 48109 USA. [Garcia-Bellido, J.] Univ Autonoma Madrid, CSIC, IFT, E-28049 Madrid, Spain. [Goldstein, D. A.; Miquel, R.] Univ Calif Berkeley, Dept Astron, 501 Campbell Hall, Berkeley, CA 94720 USA. [Goldstein, D. A.] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [Honscheid, K.] Ohio State Univ, Dept Phys, 174 W 18th Ave, Columbus, OH 43210 USA. [Jeltema, T.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz, CA 95064 USA. [Jeltema, T.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Kuehn, K.] Australian Astron Observ, N Ryde, NSW 2113, Australia. [Li, T. S.; Marshall, J. L.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenta, College Stn, TX 77843 USA. [Li, T. S.; Marshall, J. L.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Lima, M.] Univ Sao Paulo, Inst Fis, Dipartimento Fis Matemat, CP 66318, BR-05314970 Sao Paulo, Brazil. [Martini, P.] Ohio State Univ, Dept Astron, 174 W 18Th Ave, Columbus, OH 43210 USA. [Melchior, P.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Mohr, J. J.; Weller, J.] Max Planck Inst Extraterr Phys, Giessenbachstr, D-85748 Garching, Germany. [Papadopoulos, A.] European Univ Cyprus, Sch Sci, 6 Diogenis Str, CY-1516 Nicosia, Cyprus. [Plazas, A. A.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Romer, A. K.] Univ Sussex, Dept Phys & Astron, Pevensey Bldg, Brighton BN1 9QH, E Sussex, England. [Rozo, E.] Univ Arizona, Dept Phys, 1118 E 4th St, Tucson, AZ 85721 USA. [Sanchez, E.; Sevilla-Noarbe, I.] Ctr Invest Energet Medioambientales & Tecnol CIEM, Madrid, Spain. [Santiago, B.] Univ Fed Rio Grande do Sul, Inst Fis, Caixa Postal 15051, BR-91501970 Porto Alegre, RS, Brazil. [Sheldon, E.] Brookhaven Natl Lab, Bldg 510, Upton, NY 11973 USA. [Smith, M.; Sullivan, M.] Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. [Swanson, M.] Natl Ctr Supercomp Applicat, 1205 West Clark St, Urbana, IL 61801 USA. [Thomas, D.] South East Phys Network Www Sepnet Ac Uk, London, England. [Thomas, R. C.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Vikram, V.] Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. [Weller, J.] Univ Munich, Univ Sternwarte, Fak Phys, Scheinerstr 1, D-81679 Munich, Germany. RP Abbott, T (reprint author), Cerro Tololo Interamer Observ, Natl Opt Astron Observ, La Serena, Chile.; Lahav, O (reprint author), UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. EM o.lahav@ucl.ac.uk RI Sobreira, Flavia/F-4168-2015; Lima, Marcos/E-8378-2010; Natarajan, Meena/J-9167-2012; Bartosch Caminha, Gabriel/C-8952-2013; Ogando, Ricardo/A-1747-2010; Davis, Tamara/A-4280-2008; Gaztanaga, Enrique/L-4894-2014; OI Sullivan, Mark/0000-0001-9053-4820; Garcia-Bellido, Juan/0000-0002-9370-8360; Abdalla, Filipe/0000-0003-2063-4345; Sobreira, Flavia/0000-0002-7822-0658; Natarajan, Meena/0000-0001-5652-9681; Bartosch Caminha, Gabriel/0000-0001-6052-3274; Ogando, Ricardo/0000-0003-2120-1154; Davis, Tamara/0000-0002-4213-8783; Gaztanaga, Enrique/0000-0001-9632-0815; Tucker, Douglas/0000-0001-7211-5729; Weller, Jochen/0000-0002-8282-2010 FU US Department of Energy; US National Science Foundation; Ministry of Science and Education of Spain; Science and Technology Facilities Council of the United Kingdom; Higher Education Funding Council for England; National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign; Kavli Institute of Cosmological Physics at the University of Chicago; Center for Cosmology and Astro-Particle Physics at the Ohio State University; Mitchell Institute for Fundamental Physics and Astronomy at Texas AM University; Financiadora de Estudos e Projetos; Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and the Ministerio da Ciencia; Tecnologia e Inovacao; Deutsche Forschungsgemeinschaft; Collaborating Institutions in the Dark Energy Survey; National Science Foundation [AST-1138766]; University of California at Santa Cruz; University of Cambridge, Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid; University of Chicago, University College London; DES-Brazil Consortium; University of Edinburgh; Eidgenossische Technische Hochschule (ETH) Zurich, Fermi National Accelerator Laboratory; University of Illinois at Urbana-Champaign; Institut de Ciencies de l'Espai (IEEC/CSIC); Institut de Fisica d'Altes Energies, Lawrence Berkeley National Laboratory; Ludwig-Maximilians Universitat Munchen; European Research Council [FP7/291329]; MINECO [AYA2012-39559, ESP2013-48274, FPA2013-47986]; Centro de Excelencia Severo Ochoa [SEV-2012-0234]; European Research Council under the European Union [240672, 291329, 306478] FX Funding for the DES Projects has been provided by the US Department of Energy, the US National Science Foundation, the Ministry of Science and Education of Spain, the Science and Technology Facilities Council of the United Kingdom, the Higher Education Funding Council for England, the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, the Kavli Institute of Cosmological Physics at the University of Chicago, the Center for Cosmology and Astro-Particle Physics at the Ohio State University, the Mitchell Institute for Fundamental Physics and Astronomy at Texas A&M University, Financiadora de Estudos e Projetos, Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro, Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and the Ministerio da Ciencia, Tecnologia e Inovacao, the Deutsche Forschungsgemeinschaft and the Collaborating Institutions in the Dark Energy Survey. The DES Data Management system is supported by the National Science Foundation under Grant Number AST-1138766.r The Collaborating Institutions are Argonne National Laboratory, the University of California at Santa Cruz, the University of Cambridge, Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid, the University of Chicago, University College London, the DES-Brazil Consortium, the University of Edinburgh, the Eidgenossische Technische Hochschule (ETH) Zurich, Fermi National Accelerator Laboratory, the University of Illinois at Urbana-Champaign, the Institut de Ciencies de l'Espai (IEEC/CSIC), the Institut de Fisica d'Altes Energies, Lawrence Berkeley National Laboratory, the Ludwig-Maximilians Universitat Munchen and the associated Excellence Cluster Universe, the University of Michigan, the National Optical Astronomy Observatory, the University of Nottingham, the Ohio State University, the University of Pennsylvania, the University of Portsmouth, SLAC National Accelerator Laboratory, Stanford University, the University of Sussex and Texas A&M University.r OL acknowledges support from a European Research Council Advanced Grant FP7/291329. The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2012-39559, ESP2013-48274, FPA2013-47986 and Centro de Excelencia Severo Ochoa SEV-2012-0234. Research leading to these results has received funding from the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013) including ERC grant agreements 240672, 291329 and 306478.r We are grateful for the extraordinary contributions of our CTIO colleagues and the DECam Construction, Commissioning and Science Verification teams in achieving the excellent instrument and telescope conditions that have made this work possible. The success of this project also relies critically on the expertise and dedication of the DES Data Management group.r The VISTA Hemisphere Survey (VHS) is based on observations obtained as part of ESO Programme 179.A-2010 (PI: McMahon).r This paper has gone through internal review by the DES Collaboration. NR 358 TC 19 Z9 19 U1 6 U2 18 PU OXFORD UNIV PRESS 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 AUG 1 PY 2016 VL 460 IS 2 BP 1270 EP 1299 DI 10.1093/mnras/stw641 PG 30 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DR3WH UT WOS:000379832800009 ER PT J AU Saito, S Leauthaud, A Hearin, AP Bundy, K Zentner, AR Behroozi, PS Reid, BA Sinha, M Coupon, J Tinker, JL White, M Schneider, DP AF Saito, Shun Leauthaud, Alexie Hearin, Andrew P. Bundy, Kevin Zentner, Andrew R. Behroozi, Peter S. Reid, Beth A. Sinha, Manodeep Coupon, Jean Tinker, Jeremy L. White, Martin Schneider, Donald P. TI Connecting massive galaxies to dark matter haloes in BOSS - I. Is galaxy colour a stochastic process in high-mass haloes? SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: haloes; large-scale structure of Universe ID OSCILLATION SPECTROSCOPIC SURVEY; DIGITAL SKY SURVEY; SDSS-III; STELLAR MASS; ASSEMBLY BIAS; REDSHIFT SURVEY; DATA RELEASE; OCCUPATION DISTRIBUTION; STAR-FORMATION; COSMOLOGICAL SIMULATIONS AB We use subhalo abundance matching (SHAM) to model the stellar mass function (SMF) and clustering of the Baryon Oscillation Spectroscopic Survey (BOSS) 'CMASS' sample at z similar to 0.5. We introduce a novel method which accounts for the stellar mass incompleteness of CMASS as a function of redshift, and produce CMASS mock catalogues which include selection effects, reproduce the overall SMF, the projected two-point correlation function w(p), the CMASS dn/dz, and are made publicly available. We study the effects of assembly bias above collapse mass in the context of 'age matching' and show that these effects are markedly different compared to the ones explored by Hearin et al. at lower stellar masses. We construct two models, one in which galaxy colour is stochastic ('AbM' model) as well as a model which contains assembly bias effects ('AgM' model). By confronting the redshift dependent clustering of CMASS with the predictions from our model, we argue that that galaxy colours are not a stochastic process in high-mass haloes. Our results suggest that the colours of galaxies in high-mass haloes are determined by other halo properties besides halo peak velocity and that assembly bias effects play an important role in determining the clustering properties of this sample. C1 [Saito, Shun; Leauthaud, Alexie; Bundy, Kevin] Univ Tokyo, Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Chiba 2778582, Japan. [Hearin, Andrew P.] Yale Univ, Yale Ctr Astron & Astrophys, New Haven, CT 06511 USA. [Zentner, Andrew R.] Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. [Zentner, Andrew R.] Univ Pittsburgh, Pittsburgh Particle Phys Astrophys & Cosmol Ctr P, Pittsburgh, PA 15260 USA. [Behroozi, Peter S.] Space Telescope Sci Inst, 3700 San Martin Dr, Baltimore, MD 21218 USA. [Reid, Beth A.; White, Martin] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Sinha, Manodeep] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Coupon, Jean] Univ Geneva, Astron Observ, Ch Ecogia 16, CH-1290 Versoix, Switzerland. [Tinker, Jeremy L.] NYU, Dept Phys, Ctr Cosmol & Particle Phys, 4 Washington Pl, New York, NY 10003 USA. [White, Martin] Univ Calif Berkeley, Dept Phys, 366 LeConte Hall, Berkeley, CA 94720 USA. [White, Martin] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. [Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [Schneider, Donald P.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. RP Saito, S (reprint author), Univ Tokyo, Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Chiba 2778582, Japan. EM shun.saito@ipmu.jp RI White, Martin/I-3880-2015 OI White, Martin/0000-0001-9912-5070 FU World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; Japan Society for the Promotion of Science (JSPS) [25887012]; Spanish MultiDark Consolider Project [CSD2009-00064]; Alfred P. Sloan Foundation; Participating Institutions; National Science Foundation; U.S. Department of Energy Office of Science; University of Arizona; Brazilian Participation Group; Brookhaven National Laboratory; Carnegie Mellon University; University of Florida; French Participation Group; German Participation Group; Harvard University; Instituto de Astrofisica de Canarias; 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; Spanish Participation Group; University of Tokyo; University of Utah; Vanderbilt University; University of Virginia; University of Washington; Yale University FX We are grateful to Francisco Prada, Risa Wechsler, Chiaki Hikage, and Surhud More for useful discussions. We acknowledge Yu Lu and Andrew Benson for useful discussions related to SAMs. This work was supported by World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan. Numerical computations were partly carried out on Cray XC30 at Center for Computational Astrophysics, National Astronomical Observatory of Japan. SS is supported by a Grant-in-Aid for Young Scientists (Start-up) from the Japan Society for the Promotion of Science (JSPS) (No. 25887012). The MultiDark Database used in this paper and the web application providing online access to it were constructed as part of the activities of the German Astrophysical Virtual Observatory as result of a collaboration between the Leibniz-Institute for Astrophysics Potsdam (AIP) and the Spanish MultiDark Consolider Project CSD2009-00064. The Bolshoi and MultiDark simulations were run on the NASA's Pleiades supercomputer at the NASA Ames Research Center. The MultiDark-Planck (MDPL) and the BigMD simulation suite have been performed in the Supermuc supercomputer at LRZ using time granted by PRACE. 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 107 TC 6 Z9 6 U1 2 U2 2 PU OXFORD UNIV PRESS 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 AUG 1 PY 2016 VL 460 IS 2 BP 1457 EP 1475 DI 10.1093/mnras/stw1080 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DR3WH UT WOS:000379832800023 ER PT J AU Guainazzi, M Risaliti, G Awaki, H Arevalo, P Bauer, FE Bianchi, S Boggs, SE Brandt, WN Brightman, M Christensen, FE Craig, WW Forster, K Hailey, CJ Harrison, F Koss, M Longinotti, A Markwardt, C Marinucci, A Matt, G Reynolds, CS Ricci, C Stern, D Svoboda, J Walton, D Zhang, W AF Guainazzi, M. Risaliti, G. Awaki, H. Arevalo, P. Bauer, F. E. Bianchi, S. Boggs, S. E. Brandt, W. N. Brightman, M. Christensen, F. E. Craig, W. W. Forster, K. Hailey, C. J. Harrison, F. Koss, M. Longinotti, A. Markwardt, C. Marinucci, A. Matt, G. Reynolds, C. S. Ricci, C. Stern, D. Svoboda, J. Walton, D. Zhang, W. TI The nature of the torus in the heavily obscured AGN Markarian 3: an X-ray study SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE galaxies: active; galaxies: Seyfert; X-rays: galaxies; X-rays: individual: Markarian 3 ID ACTIVE GALACTIC NUCLEI; SEYFERT 2 GALAXY; XMM-NEWTON; NGC 1068; REVERBERATION MEASUREMENTS; ENERGY-DISTRIBUTIONS; CIRCINUS GALAXY; WARM ABSORBERS; INNER RADIUS; LINE REGION AB In this paper, we report the results of an X-ray monitoring campaign on the heavily obscured Seyfert galaxy, Markarian 3, carried out between the fall of 2014 and the spring of 2015 with NuSTAR, Suzaku and XMM-Newton. The hard X-ray spectrum of Markarian 3 is variable on all the time-scales probed by our campaign, down to a few days. The observed continuum variability is due to an intrinsically variable primary continuum seen in transmission through a large, but still Compton-thin column density (N-H similar to 0.8-1.1 x 10(24) cm(-2)). If arranged in a spherical-toroidal geometry, the Compton scattering matter has an opening angle a parts per thousand integral 66A degrees, and is seen at a grazing angle through its upper rim (inclination angle a parts per thousand integral 70A degrees). We report a possible occultation event during the 2014 campaign. If the torus is constituted by a system of clouds sharing the same column density, this event allows us to constrain their number (17 +/- 5) and individual column density, [a parts per thousand integral (4.9 +/- 1.5) x 10(22) cm(-2)]. The comparison of IR and X-ray spectroscopic results with state-of-the art 'torus' models suggests that at least two-thirds of the X-ray obscuring gas volume might be located within the dust sublimation radius. We report also the discovery of an ionized absorber, characterized by variable resonant absorption lines due to He- and H-like iron. This discovery lends support to the idea that moderate column density absorbers could be due to clouds evaporated at the outer surface of the torus, possibly accelerated by the radiation pressure due to the central AGN emission leaking through the patchy absorber. C1 [Guainazzi, M.] Inst Space & Astronat Sci JAXA, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 2525252, Japan. [Guainazzi, M.] ESA, European Space Astron Ctr, POB 78, E-28691 Madrid, Spain. [Risaliti, G.] Osservatorio Arcetri, INAF, Largo E Fermi 5, I-50125 Florence, Italy. [Risaliti, G.] Univ Florence, Dipartimento Fis & Astron, Via G Sansone 1, I-50019 Florence, Italy. [Awaki, H.] Ehime Univ, Dept Phys, Matsuyama, Ehime 7908577, Japan. [Arevalo, P.] Univ Valparaiso, Fac Ciencias, Inst Fis & Astron, Gran Bretana N 1111, Valparaiso, Chile. [Bauer, F. E.; Ricci, C.] Pontificia Univ Catolica Chile, Fac Fis, Inst Astrofis, Casilla 306, Santiago 22, Chile. [Bauer, F. E.] Millennium Inst Astrophys MAS, Nuncio Monsenor Sotero Sanz 100, Santiago, Chile. [Bauer, F. E.] Space Sci Inst, 4750 Walnut St,Suite 205, Boulder, CO 80301 USA. [Bianchi, S.; Marinucci, A.; Matt, G.] Univ Roma Tre, Dipartimento Matemat & Fis, Via Vasca Navale 84, I-00146 Rome, Italy. [Boggs, S. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Brandt, W. N.] Penn State Univ, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA. [Brandt, W. N.] Penn State Univ, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Brandt, W. N.] Penn State Univ, Dept Phys, Davey Lab 104, University Pk, PA 16802 USA. [Brightman, M.; Forster, K.; Harrison, F.; Walton, D.] CALTECH, Cahill Ctr Astrophys, 1216 East Calif Blvd, Pasadena, CA 91125 USA. [Christensen, F. E.] Tech Univ Denmark, DTU Space Natl Space Inst, Elektrovej 327, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, New York, NY 10027 USA. [Koss, M.] ETH, Dept Phys, Inst Astron, Wolfgang Pauli Str 27, CH-8093 Zurich, Switzerland. [Longinotti, A.] Inst Nacl Astrofis Opt & Electr, Catedrat CONACYT, Luis E Erro 1, Puebla 72840, Mexico. [Markwardt, C.; Zhang, W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Reynolds, C. S.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Stern, D.; Walton, D.] NASA, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Svoboda, J.] Acad Sci Czech Republic, Astron Inst, Bocni 2 1401, CZ-14100 Prague, Czech Republic. RP Guainazzi, M (reprint author), Inst Space & Astronat Sci JAXA, 3-1-1 Yoshinodai, Sagamihara, Kanagawa 2525252, Japan.; Guainazzi, M (reprint author), ESA, European Space Astron Ctr, POB 78, E-28691 Madrid, Spain. EM Matteo.Guainazzi@sciops.esa.int RI Bianchi, Stefano/B-4804-2010; Svoboda, Jiri/G-9045-2014 OI Bianchi, Stefano/0000-0002-4622-4240; NR 87 TC 0 Z9 0 U1 3 U2 5 PU OXFORD UNIV PRESS 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 AUG 1 PY 2016 VL 460 IS 2 BP 1954 EP 1969 DI 10.1093/mnras/stw1033 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DR3WH UT WOS:000379832800064 ER PT J AU Jarvis, M Sheldon, E Zuntz, J Kacprzak, T Bridle, SL Amara, A Armstrong, R Becker, MR Bernstein, GM Bonnett, C Chang, C Das, R Dietrich, JP Drlica-Wagner, A Eifler, TF Gangkofner, C Gruen, D Hirsch, M Huff, EM Jain, B Kent, S Kirk, D MacCrann, N Melchior, P Plazas, AA Refregier, A Rowe, B Rykoff, ES Samuroff, S Sanchez, C Suchyta, E Troxel, MA Vikram, V Abbott, T Abdalla, FB Allam, S Annis, J Benoit-Levy, A Bertin, E Brooks, D Buckley-Geer, E Burke, DL Capozzi, D Rosell, AC Kind, MC Carretero, J Castander, FJ Clampitt, J Crocce, M Cunha, CE D'Andrea, CB da Costa, LN DePoy, DL Desai, S Diehl, HT Doel, P Neto, AF Flaugher, B Fosalba, P Frieman, J Gaztanaga, E Gerdes, DW Gruendl, RA Gutierrez, G Honscheid, K James, DJ Kuehn, K Kuropatkin, N Lahav, O Li, TS Lima, M March, M Martini, P Miquel, R Mohr, JJ Neilsen, E Nord, B Ogando, R Reil, K Romer, AK Roodman, A Sako, M Sanchez, E Scarpine, V Schubnell, M Sevilla-Noarbe, I Smith, RC Soares-Santos, M Sobreira, F Swanson, MEC Tarle, G Thaler, J Thomas, D Walker, AR Wechsler, RH AF Jarvis, M. Sheldon, E. Zuntz, J. Kacprzak, T. Bridle, S. L. Amara, A. Armstrong, R. Becker, M. R. Bernstein, G. M. Bonnett, C. Chang, C. Das, R. Dietrich, J. P. Drlica-Wagner, A. Eifler, T. F. Gangkofner, C. Gruen, D. Hirsch, M. Huff, E. M. Jain, B. Kent, S. Kirk, D. MacCrann, N. Melchior, P. Plazas, A. A. Refregier, A. Rowe, B. Rykoff, E. S. Samuroff, S. Sanchez, C. Suchyta, E. Troxel, M. A. Vikram, V. Abbott, T. Abdalla, F. B. Allam, S. Annis, J. Benoit-Levy, A. Bertin, E. Brooks, D. Buckley-Geer, E. Burke, D. L. Capozzi, D. Rosell, A. Carnero Kind, M. Carrasco Carretero, J. Castander, F. J. Clampitt, J. Crocce, M. Cunha, C. E. D'Andrea, C. B. da Costa, L. N. DePoy, D. L. Desai, S. Diehl, H. T. Doel, P. Neto, A. Fausti Flaugher, B. Fosalba, P. Frieman, J. Gaztanaga, E. Gerdes, D. W. Gruendl, R. A. Gutierrez, G. Honscheid, K. James, D. J. Kuehn, K. Kuropatkin, N. Lahav, O. Li, T. S. Lima, M. March, M. Martini, P. Miquel, R. Mohr, J. J. Neilsen, E. Nord, B. Ogando, R. Reil, K. Romer, A. K. Roodman, A. Sako, M. Sanchez, E. Scarpine, V. Schubnell, M. Sevilla-Noarbe, I. Smith, R. C. Soares-Santos, M. Sobreira, F. Swanson, M. E. C. Tarle, G. Thaler, J. Thomas, D. Walker, A. R. Wechsler, R. H. TI The DES Science Verification weak lensing shear catalogues SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational lensing: weak; methods: data analysis; techniques: image processing; catalogues; surveys; cosmology: observations ID IMAGE-ANALYSIS COMPETITION; GALAXY SHAPE MEASUREMENT; DARK ENERGY CAMERA; DIGITAL SKY SURVEY; COSMIC SHEAR; NOISE BIAS; CHALLENGE HANDBOOK; MAXIMUM-LIKELIHOOD; GREAT08 CHALLENGE; SYSTEMATIC-ERRORS AB We present weak lensing shear catalogues for 139 square degrees of data taken during the Science Verification (SV) time for the new Dark Energy Camera (DECam) being used for the Dark Energy Survey (DES). We describe our object selection, point spread function estimation and shear measurement procedures using two independent shear pipelines, im3shape and ngmix, which produce catalogues of 2.12 million and 3.44 million galaxies, respectively. We detail a set of null tests for the shear measurements and find that they pass the requirements for systematic errors at the level necessary for weak lensing science applications using the SV data. We also discuss some of the planned algorithmic improvements that will be necessary to produce sufficiently accurate shear catalogues for the full 5-yr DES, which is expected to cover 5000 square degrees. C1 [Jarvis, M.; Bernstein, G. M.; Eifler, T. F.; Jain, B.; Clampitt, J.; March, M.; Sako, M.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Sheldon, E.] Brookhaven Natl Lab, Bldg 510, Upton, NY 11973 USA. [Zuntz, J.; Bridle, S. L.; MacCrann, N.; Samuroff, S.; Troxel, M. A.] Univ Manchester, Jodrell Bank, Ctr Astrophys, Sch Phys & Astron, Manchester M13 9PL, Lancs, England. [Kacprzak, T.; Amara, A.; Chang, C.; Refregier, A.] ETH, Dept Phys, Wolfgang Pauli Str 16, CH-8093 Zurich, Switzerland. [Armstrong, R.] Princeton Univ, Dept Astrophys Sci, Peyton Hall, Princeton, NJ 08544 USA. [Becker, M. R.; Wechsler, R. H.] Stanford Univ, Dept Phys, 382 Via Pueblo Mall, Stanford, CA 94305 USA. [Becker, M. R.; Rykoff, E. S.; Burke, D. L.; Cunha, C. E.; Roodman, A.; Wechsler, R. H.] Stanford Univ, Kavli Inst Particle Astrophys & Cosmol, POB 2450, Stanford, CA 94305 USA. [Bonnett, C.; Sanchez, C.; Carretero, J.; Miquel, R.] Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 Barcelona, Spain. Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. [Dietrich, J. P.; Gangkofner, C.; Desai, S.; Mohr, J. J.] Excellence Cluster Universe, Boltzmannstr 2, D-85748 Garching, Germany. [Dietrich, J. P.; Gangkofner, C.; Desai, S.; Mohr, J. J.] Univ Munich, Fac Phys, Scheinerstr 1, D-81679 Munich, Germany. [Amara, A.; Drlica-Wagner, A.; Kent, S.; Allam, S.; Annis, J.; Buckley-Geer, E.; Diehl, H. T.; Flaugher, B.; Frieman, J.; Gutierrez, G.; Kuropatkin, N.; Neilsen, E.; Nord, B.; Scarpine, V.; Soares-Santos, M.; Sobreira, F.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Eifler, T. F.; Plazas, A. A.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Gruen, D.; Mohr, J. J.] Max Planck Inst Extraterr Phys, Giessenbachstr, D-85748 Garching, Germany. [Gruen, D.] Univ Munich, Univ Sternwarte, Fak Phys, Scheinerstr 1, D-81679 Munich, Germany. [Hirsch, M.; Kirk, D.; Rowe, B.; Abdalla, F. B.; Benoit-Levy, A.; Brooks, D.; Doel, P.; Lahav, O.] UCL, Dept Phys & Astron, Gower St, London WC1E 6BT, England. [Huff, E. M.; Melchior, P.; Suchyta, E.; Honscheid, K.; Martini, P.] Ohio State Univ, Ctr Cosmol & Astroparticle Phys, Columbus, OH 43210 USA. [Huff, E. M.; Melchior, P.; Suchyta, E.; Honscheid, K.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Rykoff, E. S.; Burke, D. L.; Reil, K.; Roodman, A.; Wechsler, R. H.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Vikram, V.] Argonne Natl Lab, 9700 South Cass Ave, Lemont, IL 60439 USA. [Abbott, T.; James, D. J.; Smith, R. C.; Walker, A. R.] Natl Opt Astron Observ, Cerro Tololo Interamer Observ, Casilla 603, La Serena, Chile. [Abdalla, F. B.] Rhodes Univ, Dept Phys & Elect, POB 94, ZA-6140 Grahamstown, South Africa. [Bertin, E.] CNRS, Inst Astrophys Paris, UMR 7095, F-75014 Paris, France. [Bertin, E.] Univ Paris 06, Sorbonne Univ, UMR 7095, Inst Astrophys, F-75014 Paris, France. [Capozzi, D.; D'Andrea, C. B.; Thomas, D.] Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 3FX, Hants, England. [Rosell, A. Carnero; da Costa, L. N.; Neto, A. Fausti; Lima, M.; Ogando, R.; Sobreira, F.] Lab Interinst E Astron LIneA, Rua Gal Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Rosell, A. Carnero; da Costa, L. N.; Ogando, R.] Observ Nacl, Jose Cristino 77, BR-20921400 Rio De Janeiro, RJ, Brazil. [Kind, M. Carrasco; Gruendl, R. A.; Sevilla-Noarbe, I.] Univ Illinois, Dept Astron, 1002 W Green St, Urbana, IL 61801 USA. [Kind, M. Carrasco; Gruendl, R. A.; Swanson, M. E. C.] Natl Ctr Supercomp Applicat, 1205 West Clark St, Urbana, IL 61801 USA. [Carretero, J.; Castander, F. J.; Crocce, M.; Fosalba, P.; Gaztanaga, E.] IEEC CSIC, Inst Ciencies Espai, Campus UAB,Carrer Can Magrans,S-N, E-08193 Barcelona, Spain. [DePoy, D. L.; Li, T. S.] Texas A&M Univ, George P & Cynthia Woods Mitchell Inst Fundamenal, College Stn, TX 77843 USA. [DePoy, D. L.; Li, T. S.] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77843 USA. [Frieman, J.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Kuehn, K.] Australian Astron Observ, N Ryde, NSW 2113, Australia. [Lima, M.] Univ Sao Paulo, Dept Fis Matemat, Inst Fis, CP 66318, BR-05314970 Sao Paulo, Brazil. [Martini, P.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Miquel, R.] Inst Catalana Recerca & Estudis Avancats, E-08010 Barcelona, Spain. [Romer, A. K.] Univ Sussex, Dept Phys & Astron, Pevensey Bldg, Brighton BN1 9QH, E Sussex, England. [Sanchez, E.; Sevilla-Noarbe, I.] CIEMAT, E-28040 Madrid, Spain. [Thaler, J.] Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. RP Jarvis, M (reprint author), Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. EM michael@jarvis.net RI Sobreira, Flavia/F-4168-2015; Lima, Marcos/E-8378-2010; Ogando, Ricardo/A-1747-2010; Gaztanaga, Enrique/L-4894-2014; OI Sobreira, Flavia/0000-0002-7822-0658; Ogando, Ricardo/0000-0003-2120-1154; Gaztanaga, Enrique/0000-0001-9632-0815; Stern, Corvin/0000-0003-4406-6127; Rowe, Barnaby/0000-0002-7042-9174; Abdalla, Filipe/0000-0003-2063-4345 FU NSF [AST-0812790, AST-1138729]; DoE [DE-SC0007901, DE-AC02-98CH10886, DE-SC0007859, DE-FG02-91ER40690]; European Research Council [240672]; Deutsche Forschungsgemeinschaft (DFG) [SFB-Transregio 33]; DFG cluster of excellence 'Origin and Structure of the Universe'; JPL; FAPESP; CNPq; US Department of Energy; US National Science Foundation; Ministry of Science and Education of Spain; Science and Technology Facilities Council of the United Kingdom; Higher Education Funding Council for England; National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign; Kavli Institute of Cosmological Physics at the University of Chicago; Center for Cosmology and Astro-Particle Physics at the Ohio State University; Mitchell Institute for Fundamental Physics and Astronomy at Texas AM University; Financiadora de Estudos e Projetos; Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro; Conselho Nacional de Desenvolvimento Cientifico e Tecnologico; Ministerio da Ciencia e Tecnologia; Deutsche Forschungsgemeinschaft; Collaborating Institutions in the DES; National Science Foundation [AST-1138766]; MINECO [AYA2012-39559, ESP2013-48274, FPA2013-47986]; Centro de Excelencia Severo Ochoa [SEV-2012-0234]; European Union; Argonne National Laboratory; University of California at Santa Cruz; University of Cambridge; Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid; University of Chicago; University College London; DES-Brazil Consortium; Eidgenossische Technische Hochschule (ETH) Zurich; Fermi National Accelerator Laboratory; University of Edinburgh; University of Illinois at Urbana-Champaign; Institut de Ciencies de l'Espai (IEEC/CSIC); Institut de Fisica d'Altes Energies; LBNL; Ludwig-Maximilians Universitat; associated Excellence Cluster Universe, the University of Michigan; National Optical Astronomy Observatory; University of Nottingham; Ohio State University; University of Pennsylvania; University of Portsmouth; SLAC National Accelerator Laboratory; Stanford University; University of Sussex; Texas AM University FX Jarvis has been supported on this project by NSF grants AST-0812790 and AST-1138729. Jarvis, Bernstein, Clampitt, and Jain are partially supported by DoE grant DE-SC0007901. Sheldon is supported by DoE grant DE-AC02-98CH10886. Zuntz, Kacprzak, Bridle, and Troxel acknowledge support from the European Research Council in the form of a Starting Grant with number 240672. Das was funded by DoE Grant DE-SC0007859. Gruen was supported by SFB-Transregio 33 'The Dark Universe' by the Deutsche Forschungsgemeinschaft (DFG) and the DFG cluster of excellence 'Origin and Structure of the Universe'. Gangkofner acknowledges the support by the DFG Cluster of Excellence 'Origin and Structure of the Universe'. Melchior was supported by DoE grant DE-FG02-91ER40690. Plazas was supported by DoE grant DE-AC02-98CH10886 and by JPL, run by Caltech under a contract for NASA. Lima is partially supported by FAPESP and CNPq.r Funding for the DES Projects has been provided by the US Department of Energy, the US National Science Foundation, the Ministry of Science and Education of Spain, the Science and Technology Facilities Council of the United Kingdom, the Higher Education Funding Council for England, the National Center for Supercomputing Applications at the University of Illinois at Urbana-Champaign, the Kavli Institute of Cosmological Physics at the University of Chicago, the Center for Cosmology and Astro-Particle Physics at the Ohio State University, the Mitchell Institute for Fundamental Physics and Astronomy at Texas A&M University, Financiadora de Estudos e Projetos, Fundacao Carlos Chagas Filho de Amparo a Pesquisa do Estado do Rio de Janeiro, Conselho Nacional de Desenvolvimento Cientifico e Tecnologico and the Ministerio da Ciencia e Tecnologia, the Deutsche Forschungsgemeinschaft and the Collaborating Institutions in the DES.r The DES data management system is supported by the National Science Foundation under Grant Number AST-1138766. The DES participants from Spanish institutions are partially supported by MINECO under grants AYA2012-39559, ESP2013-48274, FPA2013-47986, and Centro de Excelencia Severo Ochoa SEV-2012-0234, some of which include ERDF funds from the European Union.r The Collaborating Institutions are Argonne National Laboratory, the University of California at Santa Cruz, the University of Cambridge, Centro de Investigaciones Energeticas, Medioambientales y Tecnologicas-Madrid, the University of Chicago, University College London, the DES-Brazil Consortium, the Eidgenossische Technische Hochschule (ETH) Zurich, Fermi National Accelerator Laboratory, the University of Edinburgh, the University of Illinois at Urbana-Champaign, the Institut de Ciencies de l'Espai (IEEC/CSIC), the Institut de Fisica d'Altes Energies, LBNL, the Ludwig-Maximilians Universitat and the associated Excellence Cluster Universe, the University of Michigan, the National Optical Astronomy Observatory, the University of Nottingham, The Ohio State University, the University of Pennsylvania, the University of Portsmouth, SLAC National Accelerator Laboratory, Stanford University, the University of Sussex, and Texas A&M University. NR 120 TC 17 Z9 17 U1 0 U2 2 PU OXFORD UNIV PRESS 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 AUG 1 PY 2016 VL 460 IS 2 BP 2245 EP 2281 DI 10.1093/mnras/stw990 PG 37 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DR3WH UT WOS:000379832800087 ER PT J AU Carletta, ND Mullendore, GL Starzec, M Xi, BK Feng, Z Dong, XQ AF Carletta, Nicholas D. Mullendore, Gretchen L. Starzec, Mariusz Xi, Baike Feng, Zhe Dong, Xiquan TI Determining the Best Method for Estimating the Observed Level of Maximum Detrainment Based on Radar Reflectivity SO MONTHLY WEATHER REVIEW LA English DT Article ID LIGHTNING OBSERVATIONS; DEEP CONVECTION; STORM; STEPS; PRECIPITATION; KINEMATICS; TRANSPORT AB Convective mass transport is the transport of mass from near the surface up to the upper troposphere and lower stratosphere (UTLS) by a deep convective updraft. This transport can alter the chemical makeup and water vapor balance of the UTLS, which affects cloud formation and the radiative properties of the atmosphere. It is, therefore, important to understand the exact altitudes at which mass is detrained from convection. The purpose of this study was to improve upon previously published methodologies for estimating the level of maximum detrainment (LMD) within convection using data from a single ground-based radar. Four methods were used to identify the LMD and validated against dual-Doppler-derived vertical mass divergence fields for six cases with a variety of storm types. The best method for locating the LMD was determined to be the method that used a reflectivity texture technique to determine convective cores and a multilayer echo identification to determine anvil locations. Although an improvement over previously published methods, the new methodology still produced unreliable results in certain regimes. The methodology worked best when applied to mature updrafts, as the anvil needs time to grow to a detectable size. Thus, radar reflectivity is found to be valuable in estimating the LMD, but storm maturity must also be considered for best results. C1 [Carletta, Nicholas D.; Mullendore, Gretchen L.; Starzec, Mariusz; Xi, Baike; Dong, Xiquan] Univ North Dakota, Dept Atmospher Sci, Grand Forks, ND 58201 USA. [Carletta, Nicholas D.] NASA Goddard Space Flight Ctr, Greenbelt, MD USA. [Carletta, Nicholas D.] Sci Syst & Applicat Inc, Lanham, MD USA. [Feng, Zhe] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Mullendore, GL (reprint author), Univ North Dakota, Clifford Hall,Room 400,4149 Univ Ave,Stop 9006, Grand Forks, ND 58202 USA. EM gretchen@atmos.und.edu FU NSF [ATM-0918010, ATM-1432930]; U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research; DOE [DE-AC05-76RL01830] FX The authors would like to acknowledge the support from NSF Grants ATM-0918010 and ATM-1432930. The authors thank Timothy Lang for providing access to the STEPS and CHILL dual-Doppler data. The authors would also like to thank Mark Askelson for his advice as a graduate committee member. The authors also thank the three anonymous reviewers for taking the time to provide thoughtful and constructive feedback. Dr. Zhe Feng at the Pacific Northwest National Laboratory is supported by the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research as part of the Atmospheric System Research Program and the Regional and Global Climate Modeling Program. The Pacific Northwest National Laboratory is operated for DOE by the Battelle Memorial Institute under Contract DE-AC05-76RL01830. NR 22 TC 0 Z9 0 U1 3 U2 3 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0027-0644 EI 1520-0493 J9 MON WEATHER REV JI Mon. Weather Rev. PD AUG PY 2016 VL 144 IS 8 BP 2915 EP 2926 DI 10.1175/MWR-D-15-0427.1 PG 12 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA DS5BT UT WOS:000380796200008 ER PT J AU Yuan, HT Liu, ZK Xu, G Zhou, B Wu, SF Dumcenco, D Yan, K Zhang, Y Mo, SK Dudin, P Kandyba, V Yablonskikh, M Barinov, A Shen, ZX Zhang, SC Huang, YS Xu, XD Hussain, Z Hwang, HY Cui, Y Chen, YL AF Yuan, Hongtao Liu, Zhongkai Xu, Gang Zhou, Bo Wu, Sanfeng Dumcenco, Dumitru Yan, Kai Zhang, Yi Mo, Sung-Kwan Dudin, Pavel Kandyba, Victor Yablonskikh, Mikhail Barinov, Alexei Shen, Zhixun Zhang, Shoucheng Huang, Yingsheng Xu, Xiaodong Hussain, Zahid Hwang, Harold Y. Cui, Yi Chen, Yulin TI Evolution of the Valley Position in Bulk Transition-Metal Chalcogenides and Their Monolayer Limit SO NANO LETTERS LA English DT Article DE angle-resolved photoemission spectroscopy; band structure; transition metal dichalcogenides; valleytronics ID ELECTRIC-FIELD; DIRECT BANDGAP; BILAYER MOS2; GRAPHENE; POLARIZATION; NANOSHEETS AB Layered transition metal chalcogenides with large spin orbit coupling have recently sparked much interest due to their potential applications for electronic, optoelectronic, spintronics, and valleytronics. However, most current understanding of the electronic structure near band valleys in momentum space is based on either theoretical investigations or optical measurements, leaving the detailed band structure elusive. For example, the exact position of the conduction band valley of bulk MoS2 remains controversial. Here, using angle resolved photoemission spectroscopy with submicron spatial resolution (micro-ARPES), we systematically imaged the conduction/valence band structure evolution across representative chalcogenides MoS2, WS2, and WSe2, well as the thickness dependent electronic structure from bulk to the monolayer limit. These results establish a solid basis to understand the underlying valley physics of these materials, and also provide a link between chalcogenide electronic band structure and their physical properties for potential valleytronics applications. C1 [Yuan, Hongtao; Liu, Zhongkai; Xu, Gang; Yan, Kai; Shen, Zhixun; Zhang, Shoucheng; Hwang, Harold Y.; Cui, Yi] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Yuan, Hongtao; Liu, Zhongkai; Yan, Kai; Shen, Zhixun; Zhang, Shoucheng; Hwang, Harold Y.; Cui, Yi] SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA. [Liu, Zhongkai; Chen, Yulin] ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China. [Liu, Zhongkai; Chen, Yulin] CAS Shanghai Sci Res Ctr, 239 Zhang Heng Rd, Shanghai 201203, Peoples R China. [Zhou, Bo; Chen, Yulin] Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England. [Zhou, Bo; Zhang, Yi; Mo, Sung-Kwan; Hussain, Zahid] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Wu, Sanfeng; Xu, Xiaodong] Univ Washington, Dept Phys, Dept Mat Sci & Engn, Seattle, WA 98195 USA. [Dumcenco, Dumitru; Huang, Yingsheng] Natl Taiwan Univ Sci & Technol, Dept Elect & Comp Engn, Taipei 106, Taiwan. [Dumcenco, Dumitru] Ecole Polytech Fed Lausanne, Elect Engn Inst, CH-1015 Lausanne, Switzerland. [Dudin, Pavel; Chen, Yulin] Diamond Light Source, Didcot OX11 0BW, Oxon, England. [Kandyba, Victor; Yablonskikh, Mikhail; Barinov, Alexei] Elettrasincrotrone Trieste ScPA, I-34149 Trieste, Basovizza, Italy. [Cui, Yi] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. RP Hwang, HY; Cui, Y (reprint author), Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA.; Hwang, HY; Cui, Y (reprint author), SLAC Natl Accelerator Lab, Stanford Inst Mat & Energy Sci, Menlo Pk, CA 94025 USA.; Chen, YL (reprint author), ShanghaiTech Univ, Sch Phys Sci & Technol, Shanghai 200031, Peoples R China.; Chen, YL (reprint author), CAS Shanghai Sci Res Ctr, 239 Zhang Heng Rd, Shanghai 201203, Peoples R China.; Chen, YL (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England.; Chen, YL (reprint author), Diamond Light Source, Didcot OX11 0BW, Oxon, England.; Cui, Y (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM hyhwang@stanford.edu; yicui@stanford.edu; Yulin.Chen@physics.ox.ac.uk RI Yuan, Hongtao/C-9807-2012; Mo, Sung-Kwan/F-3489-2013 OI Mo, Sung-Kwan/0000-0003-0711-8514 FU EPSRC [EP/M020517/1]; Hefei Science Center CAS [2015HSC-UE013]; Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-AC02-76SF00515]; DoE, BES, Division of Materials Sciences and Engineering [DE-SC0008145] FX Y.L.C. acknowledges the support of the EPSRC Platform Grant (Grant No.EP/M020517/1) and Hefei Science Center CAS (2015HSC-UE013). H.T.Y., Z.K.L., G.X., Z.H., S.C.Z., Z.X.S., H.Y.H., and Y.C. acknowledge support from the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, under contract DE-AC02-76SF00515. S.W. and X.X. are supported by DoE, BES, Division of Materials Sciences and Engineering (DE-SC0008145). We are also grateful to the beamtime at the spectramicroscopy beamline granted by the Elettra synchrotron. NR 41 TC 1 Z9 1 U1 38 U2 71 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 AUG PY 2016 VL 16 IS 8 BP 4738 EP 4745 DI 10.1021/acs.nanolett.5b05107 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 DT2SY UT WOS:000381331900002 PM 27357620 ER PT J AU Ryu, WH Gittleson, FS Li, JY Tong, X Taylor, AD AF Ryu, Won-Hee Gittleson, Forrest S. Li, Jinyang Tong, Xiao Taylor, Andre D. TI A New Design Strategy for Observing Lithium Oxide Growth-Evolution Interactions Using Geometric Catalyst Positioning SO NANO LETTERS LA English DT Article DE Lithium-oxygen batteries; catalytic membrane; product morphology; nanoparticles; oxygen evolving catalyst ID NONAQUEOUS LI-O-2 BATTERIES; METAL-AIR BATTERIES; OXYGEN BATTERIES; CATHODE CATALYSTS; ENERGY-STORAGE; LI2O2 GROWTH; PERFORMANCE; CHALLENGES; COMPOSITE; CAPACITY AB Understanding the catalyzed formation and evolution of lithium-oxide products in Li-O-2 batteries is central to the development of next-generation energy storage technology. Catalytic sites, while effective in lowering reaction barriers, often become deactivated when placed on the surface of an oxygen electrode due to passivation by solid products. Here we investigate a mechanism for alleviating catalyst deactivation by dispersing Pd catalytic sites away from the oxygen electrode surface in a well-structured anodic aluminum oxide (AAO) porous membrane interlayer. We observe the cross-sectional product growth and evolution in Li-O-2 cells by characterizing products that grow from the electrode surface. Morphological and structural details of the products in both catalyzed and uncatalyzed cells are investigated independently from the influence of the oxygen electrode. We find that the geometric decoration of catalysts from the conductive electrode surface significantly improves the reaction reversibility by chemically facilitating the oxidation reaction through local coordination with PdO surfaces. The influence of the catalyst position on product composition is further verified by ex situ X-ray photoelectron spectroscopy and Raman spectroscopy in addition to morphological studies. C1 [Ryu, Won-Hee; Gittleson, Forrest S.; Li, Jinyang; Taylor, Andre D.] Yale Univ, Dept Chem & Environm Engn, 9 Hillhouse Ave, New Haven, CT 06511 USA. [Ryu, Won-Hee] Sookmyung Womens Univ, Dept Chem & Biol Engn, 100 Cheongpa Ro 47 Gil, Seoul 04310, South Korea. [Gittleson, Forrest S.] Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. [Tong, Xiao] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Taylor, AD (reprint author), Yale Univ, Dept Chem & Environm Engn, 9 Hillhouse Ave, New Haven, CT 06511 USA. EM andre.taylor@yale.edu OI gittleson, forrest/0000-0003-0360-8348 FU NatureNet Program of the Nature Conservancy; NSF under Grant MRSEC [DMR 1119826]; U.S. DOE Office of Science User Facility, at Brookhaven National Laboratory [DE-SC0012704]; Basic Science Research Program through the National Research Foundation of Korea (NRF) - Ministry of Science, ICT & Future Planning [2016R1C1B2011442]; Sookmyung Women's University Research Grants [1-1603-2013]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; [NSF-CBET-0954985 PE-CASE] FX W.-H.R. acknowledges support from The NatureNet Program of the Nature Conservancy. The authors are grateful for support from NSF under Grant MRSEC DMR 1119826 (CRISP) and A.D.T acknowledges NSF-CBET-0954985 PE-CASE Award for providing partial support of this work. The Yale Institute for Nanoscience and Quantum Engineering (YINQE) and NSF MRSEC DMR 1119826 (CRISP) provided facility support. This research used resources of the Center for Functional Nanomaterials, which is a U.S. DOE Office of Science User Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. Chasm Technologies are acknowledged for their kind supply of multiwalled carbon nanotubes. This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (2016R1C1B2011442). This Research was supported by the Sookmyung Women's University Research Grants (1-1603-2013). 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 57 TC 1 Z9 1 U1 34 U2 56 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 AUG PY 2016 VL 16 IS 8 BP 4799 EP 4806 DI 10.1021/acs.nanolett.6b00856 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 DT2SY UT WOS:000381331900010 PM 27326464 ER PT J AU Liu, B Yan, PF Xu, W Zheng, JM He, Y Luo, LL Bowden, ME Wang, CM Zhang, JG AF Liu, Bin Yan, Pengfei Xu, Wu Zheng, Jianming He, Yang Luo, Langli Bowden, Mark E. Wang, Chong -Min Zhang, Ji-Guang TI Electrochemically Formed Ultrafine Metal Oxide Nanocatalysts for High-Performance Lithium-Oxygen Batteries SO NANO LETTERS LA English DT Article DE Lithium-oxygen battery; ultrafine catalyst; nanoparticle; NiCo2O4; prelithiation ID RECHARGEABLE LI-O-2 BATTERIES; LI-AIR BATTERIES; ION BATTERIES; ELECTRODE MATERIALS; ZNCO2O4; NICO2O4; CATHODES; CATALYST; MICROSPHERES; NANOFLAKES AB Lithium oxygen (Li-O-2) batteries have an extremely high theoretical specific energy density when compared with conventional energy-storage systems. However, practical application of the Li-O-2 battery system still faces significant challenges. In this work, we report a new approach for synthesis of ultrafine metal oxide nanocatalysts through an electrochemical prelithiation process. This process reduces the size of NiCo2O4 (NCO) particles from 20-30 nm to a uniformly distributed domain of similar to 2 nm and significantly improves their catalytic activity. Structurally, the prelithiated NCO nanowires feature ultrafine NiO/CoO nanoparticles that are highly stable during prolonged cycles in terms of morphology and particle size, thus maintaining an excellent catalytic effect to oxygen reduction and evolution reactions. A Li-O-2 battery using this catalyst demonstrated an initial capacity of 29 280 mAh g(-1) and retained a capacity of >1000 mAh g(-1) after 100 cycles based on the weight of the NCO active material. Direct in situ transmission electron microscopy observations conclusively revealed the lithiation/delithiation process of as-prepared NCO nanowires and provided in-depth understanding for both catalyst and battery chemistries of transition-metal oxides. This unique electrochemical approach could also be used to form ultrafine nanoparticles of a broad range of materials for catalyst and other applications. C1 [Liu, Bin; Xu, Wu; Zheng, Jianming; Zhang, Ji-Guang] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. [Yan, Pengfei; Luo, Langli; Bowden, Mark E.; Wang, Chong -Min] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [He, Yang] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. RP Xu, W; Zhang, JG (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA.; Wang, CM (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. EM wu.xu@pnnl.gov; chongmin.wang@pnnl.gov; jiguang.zhang@pnnl.gov RI Zheng, Jianming/F-2517-2014; yan, pengfei/E-4784-2016; Luo, Langli/B-5239-2013; Liu, Bin/J-6942-2012; OI Zheng, Jianming/0000-0002-4928-8194; yan, pengfei/0000-0001-6387-7502; Liu, Bin/0000-0001-8797-3275; Luo, Langli/0000-0002-6311-051X; Xu, Wu/0000-0002-2685-8684 FU Office of Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, of the U.S. Department of Energy (DOE) [DEAC02-05CH11231, DEAC02-98CH10886]; DOE's Office of Biological and Environmental Research; DOE [DE-AC05-76RLO1830] FX This work was supported by the Office of Energy Efficiency and Renewable Energy, Office of Vehicle Technologies, of the U.S. Department of Energy (DOE) under Contract no. DEAC02-05CH11231 for PNNL and under DEAC02-98CH10886 under the Advanced Battery Materials Research (BMR) program. The microscopic and spectroscopic characterizations were conducted in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL)-a national scientific user facility located at PNNL, which is sponsored by DOE's Office of Biological and Environmental Research. PNNL is operated by Battelle for DOE under Contract DE-AC05-76RLO1830. NR 47 TC 2 Z9 2 U1 118 U2 175 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 AUG PY 2016 VL 16 IS 8 BP 4932 EP 4939 DI 10.1021/acs.nanolett.6b01556 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 DT2SY UT WOS:000381331900028 PM 27380300 ER PT J AU Bufford, DC Stauffer, D Mook, WM Asif, SAS Boyce, BL Hattar, K AF Bufford, Daniel C. Stauffer, Douglas Mook, William M. Asif, S. A. Syed Boyce, Brad L. Hattar, Khalid TI High Cycle Fatigue in the Transmission Electron Microscope SO NANO LETTERS LA English DT Article DE Fatigue; TEM; metals; crack propagation ID IN-SITU TEM; FIELD-INDUCED MICROCRACKING; GRAIN-BOUNDARY MOTION; SINGLE-CRYSTAL; NANOCRYSTALLINE METALS; MECHANICAL-PROPERTIES; FORCE MODULATION; NANOINDENTATION; ALUMINUM; FILMS AB One of the most common causes of structural failure in metals is fatigue induced by cyclic loading. Historically, microstructure-level analysis of fatigue cracks has primarily been performed post mortem. However, such investigations do not directly reveal the internal structural processes at work near micro- and nanoscale fatigue cracks and thus do not provide direct evidence of active microstructural mechanisms. In this study, the tension-tension fatigue behavior of nanocrystalline Cu was monitored in real time at the nanoscale by utilizing a new capability for quantitative cyclic mechanical loading performed in situ in a transmission electron microscope (TEM). Controllable loads were applied at frequencies from one to several hundred hertz, enabling accumulations of 10(6) cycles within 1 h. The nanometer-scale spatial resolution of the TEM allows quantitative fatigue crack growth studies at very slow crack growth rates, measured here at similar to 10(-12) m.cycle(-1). This represents an incipient threshold regime that is well below the tensile yield stress and near the minimum conditions for fatigue crack growth. Evidence of localized deformation and grain growth within 150 nm of the crack tip was observed by both standard imaging and precession electron diffraction orientation mapping. These observations begin to reveal with unprecedented detail the local microstructural processes that govern damage accumulation, crack nucleation, and crack propagation during fatigue loading in nanocrystalline Cu. C1 [Bufford, Daniel C.; Mook, William M.; Boyce, Brad L.; Hattar, Khalid] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Stauffer, Douglas; Asif, S. A. Syed] Hysitron Inc, Eden Prairie, MN 55344 USA. RP Hattar, K (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM khattar@sandia.gov FU DOE [DE-FG02-04ER83979, DE-FG02-07ER84813]; Division of Materials Science and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX A. Darbal (AppFive LLC), S. Bhowmick, L. Kuhn, R Major (Hysitron), P. Hosemann, A. Minor (University of California, Berkeley), D. P. Adams, C. Chisholm, H. Lim, M. T. Marshall, B. R. Muntifering, J. Sharon, and C. Sobczak (Sandia National Laboratories) are acknowledged. Instrument development at Hysitron was partially supported by DOE grants DE-FG02-04ER83979 and DE-FG02-07ER84813. Work performed by D.C.B., B.L.B., and K.H. was fully supported by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy. Work by W.M.M. was performed, in part, 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 under proposal #U2014A0026. 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 46 TC 2 Z9 2 U1 36 U2 44 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 AUG PY 2016 VL 16 IS 8 BP 4946 EP 4953 DI 10.1021/acs.nanolett.6b01560 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 DT2SY UT WOS:000381331900030 PM 27351706 ER PT J AU Tao, FF Nguyen, L Zhang, SR Li, YY Tang, Y Zhang, L Frenkel, AI Xia, YN Salmeron, M AF Tao, Franklin Feng Nguyen, Luan Zhang, Shiran Li, Yuanyuan Tang, Yu Zhang, Lei Frenkel, Anatoly I. Xia, Younan Salmeron, Miquel TI Formation of Second-Generation Nanoclusters on Metal Nanoparticles Driven by Reactant Gases SO NANO LETTERS LA English DT Article ID MOLECULAR-BEAM SCATTERING; ENERGY-LOSS SPECTROSCOPY; CRYSTAL-SURFACES; IN-SITU; CO; CATALYSIS; ADSORPTION; PT(111); PHOTOEMISSION; CHEMISTRY AB Heterogeneous catalysis occurs at the interface between a solid catalyst and the reactants. The structure of metal catalyst nanoparticles at the metal-gas interface is a key factor that determines catalytic selectivity and activity. Here we report that second-generation nanoclusters are formed on the initial catalyst nanoparticles as a result of interaction with the reactant molecules when the nanoparticles are in a gas phase at Torr pressure or higher. The formation of the second-generation nanoclusters is manifested by a decrease of the average coordination number of the metal atoms and a shift of their core level energies in the presence of gases. The formation of second-generation nanoclusters increases the number of undercoordinated sites, which are the most active for catalysis in many cases. C1 [Tao, Franklin Feng; Nguyen, Luan; Zhang, Shiran; Tang, Yu] Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA. [Tao, Franklin Feng; Nguyen, Luan; Zhang, Shiran; Tang, Yu] Univ Kansas, Dept Chem, Lawrence, KS 66045 USA. [Li, Yuanyuan; Frenkel, Anatoly I.] Yeshiva Univ, Dept Phys, New York, NY 10016 USA. [Zhang, Lei; Xia, Younan] Georgia Inst Technol, Dept Chem, Atlanta, GA 30332 USA. [Salmeron, Miquel] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Tao, FF (reprint author), Univ Kansas, Dept Chem & Petr Engn, Lawrence, KS 66045 USA.; Tao, FF (reprint author), Univ Kansas, Dept Chem, Lawrence, KS 66045 USA.; Salmeron, M (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM franklin.feng.tao@ku.edu; mbsalmeron@lbl.gov RI Xia, Younan/E-8499-2011; Frenkel, Anatoly/D-3311-2011 OI Frenkel, Anatoly/0000-0002-5451-1207 NR 31 TC 4 Z9 4 U1 21 U2 30 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 AUG PY 2016 VL 16 IS 8 BP 5001 EP 5009 DI 10.1021/acs.nanolett.6b01718 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 DT2SY UT WOS:000381331900037 PM 27328034 ER PT J AU Li, W Moon, S Wojcik, M Xu, K AF Li, Wan Moon, Seonah Wojcik, Michal Xu, Ke TI Direct Optical Visualization of Graphene and Its Nanoscale Defects on Transparent Substrates SO NANO LETTERS LA English DT Article DE Graphene; sample characterization; nanoscale defects; transparent substrates; optical microscopy; optical contrast ID INTERFERENCE REFLECTION MICROSCOPY; FEW-LAYER GRAPHENE; SPECTROSCOPY; ELECTRODES; ADHESION; SHEETS; FILMS; CELLS; OXIDE; GLASS AB The discovery and rise of graphene were historically enabled by its similar to 10% optical contrast on specialized substrates like oxide-capped silicon. However, substantially lower contrast is obtained on transparent substrates. Moreover, it remains difficult to visualize nanoscale defects in graphene, including voids, cracks, wrinkles, and multilayers, on most device substrates. We report the use of interference reflection microscopy (IRM), a facile, label-free optical microscopy method originated in cell biology, to directly visualize graphene on transparent inorganic and polymer substrates at 30-40% image contrast per graphene layer. Our noninvasive approach overcomes typical challenges associated with transparent substrates, including insulating and rough surfaces, enables unambiguous identification of local graphene layer numbers and reveals nanoscale structures and defects with outstanding contrast and throughput. We thus demonstrate in situ monitoring of nanoscale defects in graphene, including the generation of nanocracks under uniaxial strain, at up to 4X video rate. C1 [Li, Wan; Moon, Seonah; Wojcik, Michal; Xu, Ke] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Xu, Ke] Lawrence Berkeley Natl Lab, Div Mol Biophys & Integrated Bioimaging, Berkeley, CA 94720 USA. RP Xu, K (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Xu, K (reprint author), Lawrence Berkeley Natl Lab, Div Mol Biophys & Integrated Bioimaging, Berkeley, CA 94720 USA. EM xuk@berkeley.edu RI Xu, Ke/A-9476-2011; OI Xu, Ke/0000-0002-2788-194X; Li, Wan/0000-0001-5751-3550; Wojcik, Michal/0000-0002-0053-1018 FU Samsung Scholarship; NSF [DGE 1106400]; College of Chemistry at UC-Berkeley FX We thank Connor Bischak and Naomi Ginsberg for help with AFM. S.M. acknowledges support by a Samsung Scholarship. M.W. acknowledges support from the NSF Graduate Research Fellowship under DGE 1106400. This work was partly supported by the College of Chemistry at UC-Berkeley. NR 35 TC 0 Z9 0 U1 15 U2 26 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 AUG PY 2016 VL 16 IS 8 BP 5027 EP 5031 DI 10.1021/acs.nanolett.6b01804 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 DT2SY UT WOS:000381331900041 PM 27351749 ER PT J AU Raja, SN Zherebetskyy, D Wu, S Ercius, P Powers, A Olson, ACK Du, DX Lin, LW Govindjee, S Wang, LW Xu, T Alivisatos, AP Ritchie, RO AF Raja, Shilpa N. Zherebetskyy, Danylo Wu, Siva Ercius, Peter Powers, Alexander Olson, Andrew C. K. Du, Daniel X. Lin, Liwei Govindjee, Sanjay Wang, Lin-Wang Xu, Ting Alivisatos, A. Paul Ritchie, Robert O. TI Mechanisms of Local Stress Sensing in Multifunctional Polymer Films Using Fluorescent Tetrapod Nanocrystals SO NANO LETTERS LA English DT Article DE Nanocomposite; tetrapod nanocrystal; polymer; sensor; mechanical; fluorescence spectroscopy ID QUANTUM DOTS; NANOCOMPOSITES; COMPOSITES; CDSE; NANOPARTICLES; BIOMECHANICS; MICROSCOPY; EMISSION; SENSORS; FIBERS AB Nanoscale stress-sensing can be used across fields ranging from detection of incipient cracks in structural mechanics to monitoring forces in biological tissues. We demonstrate how tetrapod quantum dots (tQDs) embedded in block copolymers act as sensors of tensile/compressive stress. Remarkably, tQDs can detect their own composite dispersion and mechanical properties with a switch in optomechanical response when tQps are in direct contact. Using experimental characterizations, atomistic simulations and finite-element analyses, we show that under tensile stress, densely packed tQDs exhibit a photoluminescence peak shifted to higher energies ("blue-shift") due to volumetric compressive stress in their core; loosely packed tQps exhibit a peak shifted to lower energies ("red-shift") from tensile stress in the core. The stress shifts result from the tQD's unique branched morphology in which the CdS arms act as antennas that amplify the stress in the CdSe core. Our nanocomposites exhibit excellent cyclability and scalability with no degraded properties of the host polymer. Colloidal tQDs allow sensing in many materials to potentially enable autoresponsive, smart structural nanocomposites that self-predict impending fracture. C1 [Raja, Shilpa N.; Zherebetskyy, Danylo; Wu, Siva; Olson, Andrew C. K.; Wang, Lin-Wang; Xu, Ting; Alivisatos, A. Paul; Ritchie, Robert O.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Raja, Shilpa N.; Xu, Ting; Alivisatos, A. Paul; Ritchie, Robert O.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Wu, Siva] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Ercius, Peter] Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Powers, Alexander; Olson, Andrew C. K.; Xu, Ting; Alivisatos, A. Paul] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Du, Daniel X.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Lin, Liwei; Ritchie, Robert O.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Govindjee, Sanjay] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Kavli Energy NanoSci Inst, Berkeley, CA 94720 USA. [Zherebetskyy, Danylo] Nanosys Inc, 233 South Hillview Dr, Milpitas, CA 95035 USA. [Wu, Siva] Viral Forens LLC, Berkeley, CA 94710 USA. [Olson, Andrew C. K.] ZS Associates, San Mateo, CA 94402 USA. RP Alivisatos, AP; Ritchie, RO (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Alivisatos, AP; Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA.; Alivisatos, AP (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM paul.alivisatos@berkeley.edu; roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008; Govindjee, Sanjay/B-6886-2008; Alivisatos , Paul /N-8863-2015 OI Ritchie, Robert/0000-0002-0501-6998; Govindjee, Sanjay/0000-0003-0711-3633; Alivisatos , Paul /0000-0001-6895-9048 FU Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation NSF [ECCS-0901864]; Office of Science of the DOE [DE-AC05-00OR22725] FX Work on tQD nanocrystal-polymer nanocomposite preparation and optical, mechanical, and structural characterization was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering, of the U.S. Department of Energy under contract DE-AC02-05CH11231, specifically on the Inorganic/Organic Nano composites NSET Program (S.N.R, D.Z., L.W.W., T.X., A.P.A., and RO.R.). Work done at the Molecular Foundry was provided by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 (P.E.). L.L. was supported by National Science Foundation NSF Grant ECCS-0901864 for mechanical characterization support. The authors thank Andrew J. Luong for schematic figures, and Christina M. Hyland, Handong Ling, Michael Chen, Kari Thorkelsson, Turner J. Anderson, Arunima Balan, Jacob Olshansky, Cheng Wang, Chenhui Zhu, Sergei Magonov, Wendy Gu, Lindsey Hanson, Giulio Zhou and Katherine Evans for experimental assistance. We used the computational resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the DOE under Contract No. DE-AC05-00OR22725, with computational time allocated by the Innovative and Novel Computational Impact on Theory and Experiment project. NR 45 TC 4 Z9 4 U1 21 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 AUG PY 2016 VL 16 IS 8 BP 5060 EP 5067 DI 10.1021/acs.nanolett.6b01907 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 DT2SY UT WOS:000381331900046 PM 27411026 ER PT J AU Bamaby, SN Ross, MB Thaner, RV Lee, B Schatz, GC Mirkin, CA AF Bamaby, Stacey N. Ross, Michael B. Thaner, Ryan V. Lee, Byeongdu Schatz, George C. Mirkin, Chad A. TI Enzymatically Controlled Vacancies in Nanoparticle Crystals SO NANO LETTERS LA English DT Article DE Superlattices; RNA; vacancies; enzymes; nanoparticles; crystals ID THERMODYNAMIC PARAMETERS; MOLECULAR-DYNAMICS; PREDICT STABILITY; DNA; SUPERLATTICES; CRYSTALLIZATION; DUPLEXES; DEFECTS; BINDING; SILICON AB In atomic systems, the mixing of metals results in distinct phase behavior that depends on the identity and bonding characteristics of the atoms. In nanoscale systems, the use of oligonucleotides as programmable "bonds" that link nanoparticle "atoms" into superlattices allows for the decoupling of atom identity and bonding. While much research in atomic systems is dedicated to understanding different phase behavior of mixed metals, it is not well understood on the nanoscale how changes in the nanoscale "bond" affect the phase behavior of nanoparticle crystals. In this work, the identity of the atom is kept the same, but the chemical nature of the bond is altered, which is not possible in atomic systems, through the use of DNA and RNA bonding elements. These building blocks assemble into single crystal nanoparticle superlattices with mixed DNA and RNA bonding elements throughout. The nanoparticle crystals can be dynamically changed through the selective and enzymatic hydrolysis of the RNA bonding elements, resulting in superlattices that retain their crystalline structure and habit, while incorporating up to 35% random vacancies generated from the nanoparticles removed. Therefore, the bonding elements of nanoparticle crystals can be enzymatically and selectively addressed without affecting the nature of the atom. C1 [Bamaby, Stacey N.; Ross, Michael B.; Thaner, Ryan V.; Schatz, George C.; Mirkin, Chad A.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. [Bamaby, Stacey N.; Ross, Michael B.; Thaner, Ryan V.; Schatz, George C.; Mirkin, Chad A.] Northwestern Univ, Int Inst Nanotechnol, 2145 Sheridan Rd, Evanston, IL 60208 USA. [Lee, Byeongdu] Argonne Natl Lab, Xray Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA. RP Schatz, GC; Mirkin, CA (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Schatz, GC; Mirkin, CA (reprint author), Northwestern Univ, Int Inst Nanotechnol, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Lee, B (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM blee@aps.anl.gov; g-schatz@northwestern.edu; chadnano@northwestern.edu RI Mirkin, Chad/E-3911-2010; OI Ross, Michael/0000-0002-2511-0594 FU Air Force Office of Scientific Research [FA9550-11-1-0275]; Department of Defense National Security Science and Engineering Faculty [N00014-15-1-0043]; Department of the Navy, Office of Naval Research [N00014-11-1-0729]; National Science Foundation's MRSEC program at the Materials Research Center of Northwestern University [DMR-1121262]; National Science Foundation; P.E.O. Scholar Award; National Defense and Science Engineering Graduate Research Fellowship; MRSEC program at the Materials Research Center [NSF DMR-1121262]; E. I. DuPont de Nemours Co.; Dow Chemical Company; state of Illinois; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This material is based upon work supported by the following awards: Air Force Office of Scientific Research FA9550-11-1-0275; Department of Defense National Security Science and Engineering Faculty Fellowship N00014-15-1-0043; Department of the Navy, Office of Naval Research N00014-11-1-0729, and the National Science Foundation's MRSEC program (DMR-1121262) at the Materials Research Center of Northwestern University. S.N.B. and R.V.T. acknowledge National Science Foundation Graduate Research Fellowships. S.N.B. also acknowledges a P.E.O. Scholar Award. M.B.R. acknowledges a National Defense and Science Engineering Graduate Research Fellowship. This work made use of the EPIC facility of the NUANCE Center at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF NNCI-1542205); the MRSEC program (NSF DMR-1121262) at the Materials Research Center; the International Institute for Nanotechnology (IIN); the Keck Foundation; and the State of Illinois, through the IIN. Portions of this work were carried out at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) beamline located at Sector 5 of the Advanced Photon Source (APS). DND-CAT is supported by E. I. DuPont de Nemours & Co., Dow Chemical Company, and the state of Illinois. Use of the APS was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under contract DE-AC02-06CH11357. NR 34 TC 0 Z9 0 U1 15 U2 22 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 AUG PY 2016 VL 16 IS 8 BP 5114 EP 5119 DI 10.1021/acs.nanolett.6b02042 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 DT2SY UT WOS:000381331900054 ER PT J AU Mahjouri-Samani, M Liang, LB Oyedele, A Kim, YS Tian, MK Cross, N Wang, K Lin, MW Boulesbaa, A Rouleau, CM Puretzky, AA Xiao, K Yoon, M Eres, G Duscher, G Sumpter, BG Geohegan, DB AF Mahjouri-Samani, Masoud Liang, Liangbo Oyedele, Akinola Kim, Yong-Sung Tian, Mengkun Cross, Nicholas Wang, Kai Lin, Ming-Wei Boulesbaa, Abdelaziz Rouleau, Christopher M. Puretzky, Alexander A. Xiao, Kai Yoon, Mina Eres, Gyula Duscher, Gerd Sumpter, Bobby G. Geohegan, David B. TI Tailoring Vacancies Far Beyond Intrinsic Levels Changes the Carrier Type and Optical Response in Monolayer MoSe2-x Crystals SO NANO LETTERS LA English DT Article DE Transitional metal dichalcogenides; vacancies; optical properties; Raman scattering; electrical properties ID TRANSITION-METAL DICHALCOGENIDES; 2-DIMENSIONAL MATERIALS; MOLYBDENUM-DISULFIDE; RAMAN-SPECTROSCOPY; MOS2; GRAPHENE; GROWTH; PHOTOLUMINESCENCE; SEMICONDUCTORS; MODULATION AB Defect engineering has been a critical step in controlling the transport characteristics of electronic devices, and the ability to create, tune, and annihilate defects is essential to enable the range of next-generation devices. Whereas defect formation has been well-demonstrated in three-dimensional semiconductors, similar exploration of the heterogeneity in atomically thin two-dimensional semiconductors and the link between their atomic structures, defects, and properties has not yet been extensively studied. Here, we demonstrate the growth of MoSe2-x single crystals with selenium (Se) vacancies far beyond intrinsic levels, up to similar to 20%, that exhibit a remarkable transition in electrical transport properties from n- to p-type character with increasing Se vacancy concentration. A new defect-activated phonon band at similar to 250 cm(-1) appears, and the A(1g) Raman characteristic mode at 240 cm(-1) softens toward similar to 230 cm(-1) which serves as a fingerprint of vacancy concentration in the crystals. We show that post-selenization using pulsed laser evaporated Se atoms can repair Se-vacant sites to nearly recover the (p)roperties of the pristine crystals. First-principles calculations reveal the underlying mechanisms for the corresponding vacancy induced electrical and optical transitions. C1 [Mahjouri-Samani, Masoud; Liang, Liangbo; Oyedele, Akinola; Kim, Yong-Sung; Wang, Kai; Lin, Ming-Wei; Boulesbaa, Abdelaziz; Rouleau, Christopher M.; Puretzky, Alexander A.; Xiao, Kai; Yoon, Mina; Sumpter, Bobby G.; Geohegan, David B.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kim, Yong-Sung] Korea Res Inst Stand & Sci, Daejeon 305340, South Korea. [Kim, Yong-Sung] Korea Univ Sci & Technol, Dept Nano Sci, Daejeon 305350, South Korea. [Tian, Mengkun; Cross, Nicholas; Duscher, Gerd] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Eres, Gyula; Duscher, Gerd] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Oyedele, Akinola] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Mahjouri-Samani, M (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM mahjourisamm@ornl.gov RI Liang, Liangbo/H-4486-2011; Geohegan, David/D-3599-2013; Duscher, Gerd/G-1730-2014; Sumpter, Bobby/C-9459-2013; Eres, Gyula/C-4656-2017 OI Liang, Liangbo/0000-0003-1199-0049; Geohegan, David/0000-0003-0273-3139; Duscher, Gerd/0000-0002-2039-548X; Sumpter, Bobby/0000-0001-6341-0355; Eres, Gyula/0000-0003-2690-5214 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Scientific User Facilities Division; Eugene P. Wigner Fellowship at Oak Ridge National Laboratory; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory FX Funding is provided by: (1) U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Materials Sciences and Engineering Division; (2) U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES), Scientific User Facilities Division; (3) Eugene P. Wigner Fellowship at Oak Ridge National Laboratory; (4) Laboratory Directed Research and Development Program of Oak Ridge National Laboratory. NR 47 TC 0 Z9 0 U1 21 U2 38 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 AUG PY 2016 VL 16 IS 8 BP 5213 EP 5220 DI 10.1021/acs.nanolett.6b02263 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 DT2SY UT WOS:000381331900068 PM 27416103 ER PT J AU Gao, WW dos Reis, R Schelhas, LT Pool, VL Toney, MF Yu, KM Walukiewicz, W AF Gao, Weiwei dos Reis, Roberto Schelhas, Laura T. Pool, Vanessa L. Toney, Michael F. Yu, Kin Man Walukiewicz, Wladek TI Formation of Nanoscale Composites of Compound Semiconductors Driven by Charge Transfer SO NANO LETTERS LA English DT Article DE Composite; semiconductor; charge transfer; self-assembly; electronic properties ID NANOCRYSTAL SUPERLATTICES; NATIVE DEFECTS; CONDUCTIVITY; PERFORMANCE; GROWTH; SNTE; SCATTERING; MECHANISM; NANOWIRE; SYSTEMS AB Composites are a class of materials that are formed by mixing two or more components. These materials often have new functional properties compared to their constituent materials. Traditionally composites are formed by self-assembly due to structural dissimilarities or by engineering different layers or structures in the material. Here we report the synthesis of a uniform and stoichiometric composite of CdO and SnTe with a novel nanocomposite structure stabilized by the dissimilarity of the electronic band structure of the constituent materials. The composite has interesting electronic properties which range from highly n-type in CdO to semi-insulating in the intermediate composition range to highly p-type in SnTe. This can be explained by the overlap of the conduction and valence band of the constituent compounds. Ultimately, our work identifies a new class of composite semiconductors in which nanoscale self-organization is driven and stabilized by charge transfer between constituent materials. C1 [Gao, Weiwei; dos Reis, Roberto; Yu, Kin Man; Walukiewicz, Wladek] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [dos Reis, Roberto] Lawrence Berkeley Natl Lab, Mol Foundry, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Schelhas, Laura T.; Pool, Vanessa L.; Toney, Michael F.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. [Yu, Kin Man] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. RP Walukiewicz, W (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM w_waluldewicz@lbl.gov RI dos Reis, Roberto/E-9486-2012; OI dos Reis, Roberto/0000-0002-6011-6078; Yu, Kin Man/0000-0003-1350-9642 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; U.S. Department of Energy through the Bay Area Photovoltaic Consortium [DE-EE0004946]; CAPES/BR, BEX [12047-13-9] FX This work was performed at the EMAT, National Center for Electron Microscopy/Molecular Foundry and 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. 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. W.W.G., V.L.P., and L.T.S. acknowledge partial support from the U.S. Department of Energy through the Bay Area Photovoltaic Consortium under Award No. DE-EE0004946. R.R. acknowledges support from CAPES/BR, BEX process number 12047-13-9. We acknowledge C. Gammer, Z. Anderson, and P. Ercius who made contribution to the development of the code used to acquire the nanobeam diffraction datasets. NR 45 TC 0 Z9 0 U1 17 U2 21 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 AUG PY 2016 VL 16 IS 8 BP 5247 EP 5254 DI 10.1021/acs.nanolett.6b02395 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 DT2SY UT WOS:000381331900073 PM 27459505 ER PT J AU Zhao, M Figueroa-Cosme, L Elnabawy, AO Vara, M Yang, X Roling, LT Chi, MF Mavrikakis, M Xia, YN AF Zhao, Ming Figueroa-Cosme, Legna Elnabawy, Ahmed O. Vara, Madeline Yang, Xuan Roling, Luke T. Chi, Miaofang Mavrikakis, Manos Xia, Younan TI Synthesis and Characterization of Ru Cubic Nanocages with a Face-Centered Cubic Structure by Templating with Pd Nanocubes SO NANO LETTERS LA English DT Article DE Ruthenium; seed-mediated growth; core-shell; nanocages; crystal structure; density functional theory ID SEED-MEDIATED GROWTH; OXYGEN REDUCTION REACTION; SUBSTANTIALLY ENHANCED ACTIVITY; AMMONIA-SYNTHESIS; METAL NANOCRYSTALS; RUTHENIUM NANOPARTICLES; CATALYTIC-PROPERTIES; SILVER NANOPARTICLES; METHANOL OXIDATION; CONCAVE NANOCUBES AB Nanocages have received considerable attention in recent years for catalytic applications owing to their high utilization efficiency of atoms and well-defined facets. Here we report, for the first time, the synthesis of Ru cubic nanocages with ultrathin walls, in which the atoms are crystallized in a face-centered cubic (fcc) rather than hexagonal close-packed (hcp) structure. The key to the success of this synthesis is to ensure layer-by-layer deposition of Ru atoms on the surface of Pd cubic seeds by controlling the reaction temperature and the injection rate of a Ru(III) precursor. By selectively etching away the Pd from the Pd@Ru core-shell nanocubes, we obtain Ru nanocages with an average wall thickness of 1.1 nm or about six atomic layers. Most importantly, the Ru nanocages adopt an fcc crystal structure rather than the hcp structure observed in bulk Ru. The synthesis has been successfully applied to Pd cubic seeds with different edge lengths in the range of 618 nm, with smaller seeds being more favorable for the formation of Ru shells with a flat, smooth surface due to shorter distance for the surface diffusion of the Ru adatoms. Self-consistent density functional theory calculations indicate that these unique fcc-structured Ru nanocages might possess promising catalytic properties for ammonia synthesis compared to hcp Ru(0001), on the basis of strengthened binding of atomic N and substantially reduced activation energies for N-2 dissociation, which is the rate determining step for ammonia synthesis on hcp Ru catalysts. C1 [Zhao, Ming; Figueroa-Cosme, Legna; Vara, Madeline; Xia, Younan] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. [Elnabawy, Ahmed O.; Roling, Luke T.; Mavrikakis, Manos] Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA. [Yang, Xuan; Xia, Younan] Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA. [Yang, Xuan; Xia, Younan] Emory Univ, Atlanta, GA 30332 USA. [Chi, Miaofang] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Xia, YN (reprint author), Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA.; Mavrikakis, M (reprint author), Univ Wisconsin, Dept Chem & Biol Engn, Madison, WI 53706 USA.; Xia, YN (reprint author), Georgia Inst Technol, Wallace H Coulter Dept Biomed Engn, Atlanta, GA 30332 USA.; Xia, YN (reprint author), Emory Univ, Atlanta, GA 30332 USA. EM manos@engr.wisc.edu; younan.xia@bme.gatech.edu RI Roling, Luke/B-8793-2015; Chi, Miaofang/Q-2489-2015; Xia, Younan/E-8499-2011 OI Roling, Luke/0000-0001-9742-2573; Chi, Miaofang/0000-0003-0764-1567; FU NSF [CHE 1505441]; Georgia Institute of Technology; Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, which is a U.S. DOE Office of Science User Facility; Georgia Institute of Technology's Institute of Electronics and Nanotechnology (IEN) facilities; DOE Office of Biological and Environmental Research at PNNL; DOE [DE-AC02-06CH11357, DE-AC02-05CH11231]; UW-Madison Center for High Throughput Computing (CHTC); UW-Madison; Advanced Computing Initiative; Wisconsin Alumni Research Foundation; Wisconsin Institutes for Discovery; National Science Foundation FX This work was supported in part by a grant from the NSF (CHE 1505441) and start-up funds from the Georgia Institute of Technology. High-resolution imaging was performed through a user project supported by Oak Ridge National Laboratory's Center for Nanophase Materials Sciences, which is a U.S. DOE Office of Science User Facility (M.C.), and at the Georgia Institute of Technology's Institute of Electronics and Nanotechnology (IEN) facilities. Computations were performed at supercomputing centers located at EMSL, which is sponsored by the DOE Office of Biological and Environmental Research at PNNL; CNM at ANL, supported by DOE contract DE-AC02-06CH11357; NERSC, supported by DOE contract DE-AC02-05CH11231; and the UW-Madison Center for High Throughput Computing (CHTC), supported by UW-Madison, the Advanced Computing Initiative, the Wisconsin Alumni Research Foundation, the Wisconsin Institutes for Discovery, and the National Science Foundation. NR 70 TC 5 Z9 5 U1 43 U2 67 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 AUG PY 2016 VL 16 IS 8 BP 5310 EP 5317 DI 10.1021/acs.nanolett.6b02795 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 DT2SY UT WOS:000381331900083 PM 27458871 ER PT J AU Ferrier, MG Batista, ER Berg, JM Birnbaum, ER Cross, JN Engle, JW La Pierre, HS Kozimor, SA Pacheco, JSL Stein, BW Stieber, SCE Wilson, JJ AF Ferrier, Maryline G. Batista, Enrique R. Berg, John M. Birnbaum, Eva R. Cross, Justin N. Engle, Jonathan W. La Pierre, Henry S. Kozimor, Stosh A. Pacheco, Juan S. Lezama Stein, Benjamin W. Stieber, S. Chantal E. Wilson, Justin J. TI Spectroscopic and computational investigation of actinium coordination chemistry SO NATURE COMMUNICATIONS LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; TARGETED ALPHA-THERAPY; MOLECULAR-DYNAMICS; IONIC-RADII; SOLID-STATE; TRIVALENT; METAL; SIMULATIONS; HYDROLYSIS; EXTRACTION AB Actinium-225 is a promising isotope for targeted-a therapy. Unfortunately, progress in developing chelators for medicinal applications has been hindered by a limited understanding of actinium chemistry. This knowledge gap is primarily associated with handling actinium, as it is highly radioactive and in short supply. Hence, Ac-III reactivity is often inferred from the lanthanides and minor actinides (that is, Am, Cm), with limited success. Here we overcome these challenges and characterize actinium in HCl solutions using X-ray absorption spectroscopy and molecular dynamics density functional theory. The Ac-Cl and Ac-OH2O distances are measured to be 2.95(3) and 2.59(3)angstrom, respectively. The X-ray absorption spectroscopy comparisons between Ac-III and Am-III in HCl solutions indicate Ac-III coordinates more inner-sphere Cl1-ligands (3.2 +/- 1.1) than Am-III (0.8 +/- 0.3). These results imply diverse reactivity for the +3 actinides and highlight the unexpected and unique Ac-III chemical behaviour. C1 [Ferrier, Maryline G.; Batista, Enrique R.; Berg, John M.; Birnbaum, Eva R.; Cross, Justin N.; Engle, Jonathan W.; La Pierre, Henry S.; Kozimor, Stosh A.; Stein, Benjamin W.; Stieber, S. Chantal E.; Wilson, Justin J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Pacheco, Juan S. Lezama] Stanford Univ, Stanford, CA 94305 USA. [Stieber, S. Chantal E.] Calif State Polytech Univ Pomona, Pomona, CA 91768 USA. [Wilson, Justin J.] Cornell Univ, Ithaca, NY 14853 USA. RP Batista, ER; Kozimor, SA (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM erb@lanl.gov; stosh@lanl.gov OI Cross, Justin/0000-0003-1881-155X; Wilson, Justin/0000-0002-4086-7982 FU Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, the US Department of Energy; US Department of Energy [DE-AC52-06NA25396]; Glenn T. Seaborg Institute; United States Department of Energy, Office of Science, Isotope Development and Production for Research and Application subprogram within Office of Nuclear Physics; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; DOE Office of Biological and Environmental Research; National Institutes of Health, National Institute of General Medical Sciences [P41GM103393] FX The work was supported under the LANL LDRD program (JMB, ERV and JWE) and work under the Heavy Element Chemistry Program by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, the US Department of Energy and the US Department of Energy (ERB and SAK). Portions of this work were supported by postdoctoral and graduate Fellowships from the Glenn T. Seaborg Institute (MGF, BWS, SCES and JJW), and the Director's Postdoctoral Fellowship (HSLP and JNC). Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy (contract DE-AC52-06NA25396). We are grateful to the United States Department of Energy, Office of Science, Isotope Development and Production for Research and Application subprogram within Office of Nuclear Physics for support and for supplying the 227Ac and 243Am isotopes. Use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The SSRL Structural Molecular Biology Program is supported by the DOE Office of Biological and Environmental Research, and by the National Institutes of Health, National Institute of General Medical Sciences (including P41GM103393). The contents of this publication are solely our responsibility and do not necessarily represent the official views of NIGMS or NIH. NR 60 TC 3 Z9 3 U1 17 U2 22 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 AUG PY 2016 VL 7 AR 12312 DI 10.1038/ncomms12312 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT8UI UT WOS:000381770800001 PM 27531582 ER PT J AU Frandsen, BA Liu, L Cheung, SC Guguchia, Z Khasanov, R Morenzoni, E Munsie, TJS Hallas, AM Wilson, MN Cai, YP Luke, GM Chen, BJ Li, WM Jin, CQ Ding, C Guo, SL Ning, FL Ito, TU Higemoto, W Billinge, SJL Sakamoto, S Fujimori, A Murakami, T Kageyama, H Alonso, JA Kotliar, G Imada, M Uemura, YJ AF Frandsen, Benjamin A. Liu, Lian Cheung, Sky C. Guguchia, Zurab Khasanov, Rustem Morenzoni, Elvezio Munsie, Timothy J. S. Hallas, Alannah M. Wilson, Murray N. Cai, Yipeng Luke, Graeme M. Chen, Bijuan Li, Wenmin Jin, Changqing Ding, Cui Guo, Shengli Ning, Fanlong Ito, Takashi U. Higemoto, Wataru Billinge, Simon J. L. Sakamoto, Shoya Fujimori, Atsushi Murakami, Taito Kageyama, Hiroshi Antonio Alonso, Jose Kotliar, Gabriel Imada, Masatoshi Uemura, Yasutomo J. TI Volume-wise destruction of the antiferromagnetic Mott insulating state through quantum tuning SO NATURE COMMUNICATIONS LA English DT Article ID METAL-INSULATOR; PHASE-SEPARATION; ELECTRONIC-STRUCTURE; DOPED V2O3; TRANSITION; RNIO3; PEROVSKITES; SUPERCONDUCTORS; PRESSURE; DENSITY AB RENiO3 (RE = rare-earth element) and V2O3 are archetypal Mott insulator systems. When tuned by chemical substitution (RENiO3) or pressure (V2O3), they exhibit a quantum phase transition (QPT) between an antiferromagnetic Mott insulating state and a paramagnetic metallic state. Because novel physics often appears near a Mott QPT, the details of this transition, such as whether it is first or second order, are important. Here, we demonstrate through muon spin relaxation/rotation (mSR) experiments that the QPT in RENiO3 and V2O3 is first order: the magnetically ordered volume fraction decreases to zero at the QPT, resulting in a broad region of intrinsic phase separation, while the ordered magnetic moment retains its full value until it is suddenly destroyed at the QPT. These findings bring to light a surprising universality of the pressure-driven Mott transition, revealing the importance of phase separation and calling for further investigation into the nature of quantum fluctuations underlying the transition. C1 [Frandsen, Benjamin A.; Liu, Lian; Cheung, Sky C.; Uemura, Yasutomo J.] Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA. [Guguchia, Zurab; Khasanov, Rustem; Morenzoni, Elvezio] Paul Scherrer Inst, Lab Muon Spin Spect, CH-5232 Villigen, Switzerland. [Munsie, Timothy J. S.; Hallas, Alannah M.; Wilson, Murray N.; Cai, Yipeng; Luke, Graeme M.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. [Luke, Graeme M.] Canadian Inst Adv Res, Toronto, ON L8S 4M1, Canada. [Chen, Bijuan; Li, Wenmin; Jin, Changqing] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Ding, Cui; Guo, Shengli; Ning, Fanlong] Zhejiang Univ, Dept Phys, Hangzhou 310027, Zhejiang, Peoples R China. [Ito, Takashi U.; Higemoto, Wataru] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. [Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Billinge, Simon J. L.; Kotliar, Gabriel] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Sakamoto, Shoya; Fujimori, Atsushi] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Murakami, Taito; Kageyama, Hiroshi] Kyoto Univ, Grad Sch Engn, Dept Energy & Hydrocarbon Chem, Nishikyo Ku, Kyoto 6158510, Japan. [Antonio Alonso, Jose] CSIC, ICMM, E-28049 Madrid, Spain. [Kotliar, Gabriel] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Imada, Masatoshi] Univ Tokyo, Dept Appl Phys, 7-3-1 Hongo, Tokyo 1138656, Japan. RP Uemura, YJ (reprint author), Columbia Univ, Dept Phys, 538 W 120th St, New York, NY 10027 USA. EM tomo@lorentz.phys.columbia.edu RI Luke, Graeme/A-9094-2010; Kageyama, Hiroshi/A-4602-2010; OI Frandsen, Benjamin/0000-0002-4047-9453; Khasanov, Rustem/0000-0002-4768-5524 FU U.S. National Science Foundation (NSF) [DMREF DMR-1436095]; NSF [DMR-1105961, OISE-0968226, DGE-11-44155]; Japan Atomic Energy Agency Reimei Project; Friends of Todai Foundation; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (DOE-BES) [DE-SC00112704]; NSERC; MINECO (SPAIN) [MAT2013-41099-R]; Swiss National Science Foundation; CREST; Chinese NSF [11274268, 11574265]; MOST [2016FYA0300402]; U.S. NSF [DMREF DMR-1435918]; MEXT, Japan [22104010]; Computational Materials Science Initiative (CMSI); DOE-BES [DE-SC0012704]; Scientific User Facilities Division, Office of Basic Energy Science, U.S. DOE; MEXT HPCI Strategic Programs for Innovative Research (SPIRE) [hp130007, hp140215, hp150211]; MOst FX The authors acknowledge helpful discussions with Dietrich Belitz, Andy Millis, and Dimitri Basov. YJU acknowledges support from the U.S. National Science Foundation (NSF) via Grant DMREF DMR-1436095, NSF Grant no. DMR-1105961, and the NSF PIRE programme through Grant no. OISE-0968226, with additional support from the Japan Atomic Energy Agency Reimei Project and the Friends of Todai Foundation. BAF acknowledges support from the NSF GRFP under Grant No. DGE-11-44155. SJLB acknowledges support from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (DOE-BES) under contract no. DE-SC00112704. Work at McMaster was supported by NSERC. JAA acknowledges financial support from MINECO (SPAIN) through the project MAT2013-41099-R. ZG acknowledges support by the Swiss National Science Foundation. Work at Kyoto University was supported by CREST. Work at the Chinese Academy of Sciences was supported by the Chinese NSF and MOst. Work at Zhejiang was supported by the Chinese NSF (No. 11274268 and 11574265) and MOST (No. 2016FYA0300402). GK acknowledges support from the U.S. NSF through Grant DMREF DMR-1435918. MI thanks financial support from a Grant-in-Aid for Scientific Research (No. 22104010) from MEXT, Japan, and by MEXT HPCI Strategic Programs for Innovative Research (SPIRE) (under the grant number hp130007, hp140215 and hp150211) and Computational Materials Science Initiative (CMSI). Use of the National Synchrotron Light Source II, Brookhaven National Laboratory, was supported by DOE-BES under contract No. DE-SC0012704. Use of the Spallation Neutron Source, Oak Ridge National Laboratory, was sponsored by the Scientific User Facilities Division, Office of Basic Energy Science, U.S. DOE. NR 50 TC 1 Z9 1 U1 17 U2 27 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 AUG PY 2016 VL 7 AR 12519 DI 10.1038/ncomms12519 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT8UU UT WOS:000381772000001 PM 27531192 ER PT J AU Li, YB Cooper, JK Liu, WJ Sutter-Fella, CM Amani, M Beeman, JW Javey, A Ager, JW Liu, Y Toma, FM Sharp, ID AF Li, Yanbo Cooper, Jason K. Liu, Wenjun Sutter-Fella, Carolin M. Amani, Matin Beeman, Jeffrey W. Javey, Ali Ager, Joel W. Liu, Yi Toma, Francesca M. Sharp, Ian D. TI Defective TiO2 with high photoconductive gain for efficient and stable planar heterojunction perovskite solar cells SO NATURE COMMUNICATIONS LA English DT Article ID HALIDE PEROVSKITES; LIGHT; CH3NH3PBI3; TRANSPORT; LAYER AB Formation of planar heterojunction perovskite solar cells exhibiting both high efficiency and stability under continuous operation remains a challenge. Here, we show this can be achieved by using a defective TiO2 thin film as the electron transport layer. TiO2 layers with native defects are deposited by electron beam evaporation in an oxygen-deficient environment. Deep-level hole traps are introduced in the TiO2 layers and contribute to a high photoconductive gain and reduced photocatalytic activity. The high photoconductivity of the TiO2 electron transport layer leads to improved efficiency for the fabricated planar devices. A maximum power conversion efficiency of 19.0% and an average PCE of 17.5% are achieved. In addition, the reduced photocatalytic activity of the TiO2 layer leads to enhanced long-term stability for the planar devices. Under continuous operation near the maximum power point, an efficiency of over 15.4% is demonstrated for 100 h. C1 [Li, Yanbo; Cooper, Jason K.; Liu, Wenjun; Beeman, Jeffrey W.; Ager, Joel W.; Toma, Francesca M.; Sharp, Ian D.] Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Li, Yanbo; Cooper, Jason K.; Liu, Wenjun; Toma, Francesca M.; Sharp, Ian D.] Lawrence Berkeley Natl Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Sutter-Fella, Carolin M.; Amani, Matin; Beeman, Jeffrey W.; Liu, Yi] Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Sutter-Fella, Carolin M.; Amani, Matin; Javey, Ali] Univ Calif Berkeley, Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Ager, Joel W.] Univ Calif Berkeley, Mat Sci & Engn, Berkeley, CA 94720 USA. [Liu, Yi] Lawrence Berkeley Natl Lab, Mol Foundry, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Toma, FM; Sharp, ID (reprint author), Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Toma, FM; Sharp, ID (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM fmtoma@lbl.gov; idsharp@lbl.gov RI Li, Yanbo/A-3461-2009; Liu, yi/A-3384-2008; OI Li, Yanbo/0000-0002-3017-762X; Liu, yi/0000-0002-3954-6102; Sutter-Fella, Carolin/0000-0002-7769-0869 FU Office of Science of the U.S. Department of Energy [DE-SC0004993]; Electronic Materials programme - Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Scientific User Facilities Division [DE-AC02-05CH11231]; Swiss National Science Foundation [P2EZP2_155586] FX This study is based on 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. Perovskites PL and PL mapping measurements were supported by the Electronic Materials programme, 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 Number DE-AC02-05CH11231. Photovoltaic characterization was performed at the Molecular Foundry, which is supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Scientific User Facilities Division, under Contract Number DE-AC02-05CH11231. C.M.S.-F. acknowledges financial support from the Swiss National Science Foundation (P2EZP2_155586). NR 24 TC 4 Z9 4 U1 63 U2 118 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 AUG PY 2016 VL 7 AR 12446 DI 10.1038/ncomms12446 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT8VI UT WOS:000381773400001 PM 27534585 ER PT J AU Liu, W Xie, SP Lu, J AF Liu, Wei Xie, Shang-Ping Lu, Jian TI Correspondence: Reply to: 'Correspondence: Variations in ocean heat uptake during the surface warming hiatus' SO NATURE COMMUNICATIONS LA English DT Letter ID OBJECTIVE ANALYSES; PACIFIC; TEMPERATURE; REANALYSIS C1 [Liu, Wei; Xie, Shang-Ping] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Lu, Jian] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Liu, W (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. EM wel109@ucsd.edu NR 15 TC 0 Z9 0 U1 6 U2 6 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 AUG PY 2016 VL 7 AR 12542 DI 10.1038/ncomms12542 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT8VZ UT WOS:000381775100001 PM 27538524 ER PT J AU Stein, A Wright, G Yager, KG Doerk, GS Black, CT AF Stein, A. Wright, G. Yager, K. G. Doerk, G. S. Black, C. T. TI Selective directed self-assembly of coexisting morphologies using block copolymer blends SO NATURE COMMUNICATIONS LA English DT Article ID FORMING COPOLYMERS; ORDERED STRUCTURE; THIN-FILMS; TEMPLATES; PATTERNS; POLYMERS; DOMAINS AB Directed self-assembly (DSA) of block copolymers is an emergent technique for nano-lithography, but is limited in the range of structures possible in a single fabrication step. Here we expand on traditional DSA chemical patterning. A blend of lamellar- and cylinder-forming block copolymers assembles on specially designed surface chemical line gratings, leading to the simultaneous formation of coexisting ordered morphologies in separate areas of the substrate. The competing energetics of polymer chain distortions and chemical mismatch with the substrate grating bias the system towards either line/space or dot array patterns, depending on the pitch and linewidth of the prepattern. This is in contrast to the typical DSA, wherein assembly of a single-component block copolymer on chemical templates generates patterns of either lines/spaces (lamellar) or hexagonal dot arrays (cylinders). In our approach, the chemical template encodes desired local spatial arrangements of coexisting design motifs, self-assembled from a single, sophisticated resist. C1 [Stein, A.; Wright, G.; Yager, K. G.; Doerk, G. S.; Black, C. T.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Black, CT (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ctblack@bnl.gov FU US Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX Research carried out at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-SC0012704. We thank Daniel Yi for polymer characterization. NR 34 TC 1 Z9 1 U1 33 U2 41 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 AUG PY 2016 VL 7 AR 12366 DI 10.1038/ncomms12366 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS5XX UT WOS:000380857400001 PM 27480327 ER PT J AU Varnell, JA Tse, ECM Schulz, CE Fister, TT Haasch, RT Timoshenko, J Frenkel, AI Gewirth, AA AF Varnell, Jason A. Tse, Edmund C. M. Schulz, Charles E. Fister, Tim T. Haasch, Richard T. Timoshenko, Janis Frenkel, Anatoly I. Gewirth, Andrew A. TI Identification of carbon-encapsulated iron nanoparticles as active species in non-precious metal oxygen reduction catalysts SO NATURE COMMUNICATIONS LA English DT Article ID ELECTROLYTE FUEL-CELLS; FE-BASED CATALYSTS; NITROGEN-DOPED CARBON; HEAT-TREATED IRON; HIGH-AREA CARBON; FE/N/C-CATALYSTS; CATHODE CATALYST; ACIDIC MEDIA; SITES; ORR AB The widespread use of fuel cells is currently limited by the lack of efficient and cost-effective catalysts for the oxygen reduction reaction. Iron-based non-precious metal catalysts exhibit promising activity and stability, as an alternative to state-of-the-art platinum catalysts. However, the identity of the active species in non-precious metal catalysts remains elusive, impeding the development of new catalysts. Here we demonstrate the reversible deactivation and reactivation of an iron-based non-precious metal oxygen reduction catalyst achieved using high-temperature gas-phase chlorine and hydrogen treatments. In addition, we observe a decrease in catalyst heterogeneity following treatment with chlorine and hydrogen, using Mossbauer and X-ray absorption spectroscopy. Our study reveals that protected sites adjacent to iron nanoparticles are responsible for the observed activity and stability of the catalyst. These findings may allow for the design and synthesis of enhanced non-precious metal oxygen reduction catalysts with a higher density of active sites. C1 [Varnell, Jason A.; Tse, Edmund C. M.; Gewirth, Andrew A.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Schulz, Charles E.] Knox Coll, Dept Phys, Galesburg, IL 61401 USA. [Fister, Tim T.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Haasch, Richard T.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. [Timoshenko, Janis; Frenkel, Anatoly I.] Yeshiva Univ, Dept Phys, New York, NY 10016 USA. [Gewirth, Andrew A.] Kyushu Univ, Int Inst Carbon Neutral Energy Res WPI I2CNER, Fukuoka 8128581, Japan. RP Gewirth, AA (reprint author), Univ Illinois, Dept Chem, Urbana, IL 61801 USA.; Gewirth, AA (reprint author), Kyushu Univ, Int Inst Carbon Neutral Energy Res WPI I2CNER, Fukuoka 8128581, Japan. EM agewirth@illinois.edu RI Timoshenko, Janis/F-1027-2010; Frenkel, Anatoly/D-3311-2011; OI Frenkel, Anatoly/0000-0002-5451-1207; Tse, Edmund Chun Ming/0000-0002-9313-1290 FU Chemistry Department at the University of Illinois at Urbana-Champaign; Croucher Foundation Scholarship; US National Science Foundation [CHE-1309731, CHE-1534184]; US Department of Energy [DE-FG02-07ER46453, DE-FG02-07ER46471]; Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy, Office of Science; Department of Energy; MRCAT member institutions; DOE Office of Science [DE-AC02-06CH11357] FX J.A.V. acknowledges a Buhrke Fellowship from the Chemistry Department at the University of Illinois at Urbana-Champaign. E.C.M.T. acknowledges a Croucher Foundation Scholarship. We thank the US National Science Foundation (Grant CHE-1309731) for support of this research. A.I.F. and J.T. acknowledge support from the US National Science Foundation Grant CHE-1534184. This work was carried out in part in the Frederick Seitz Materials Research Laboratory Central Facilities, which are partially supported by the US Department of Energy (DE-FG02-07ER46453 and DE-FG02-07ER46471). T.T.F. 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. XAFS measurements at Materials Research Collaborative Access Team (MRCAT) were supported by the Department of Energy and the MRCAT member institutions. 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. We thank James Sotiropoulos and Therese Brown for help with catalyst preparation and RDE measurements, Angela DiAscro for help with chlorine treatments and Jing Liu for her help with XAS measurements at the beamline 5-BM-D. NR 54 TC 5 Z9 5 U1 97 U2 142 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 AUG PY 2016 VL 7 AR 12582 DI 10.1038/ncomms12582 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT8WB UT WOS:000381775300001 PM 27538720 ER PT J AU Frano, A Blanco-Canosa, S Schierle, E Lu, Y Wu, M Bluschke, M Minola, M Christiani, G Habermeier, HU Logvenov, G Wang, Y van Aken, PA Benckiser, E Weschke, E Le Tacon, M Keimer, B AF Frano, A. Blanco-Canosa, S. Schierle, E. Lu, Y. Wu, M. Bluschke, M. Minola, M. Christiani, G. Habermeier, H. U. Logvenov, G. Wang, Y. van Aken, P. A. Benckiser, E. Weschke, E. Le Tacon, M. Keimer, B. TI Long-range charge-density-wave proximity effect at cuprate/manganate interfaces SO NATURE MATERIALS LA English DT Article ID SUPERCONDUCTING OXIDES; NORMAL-STATE; ORDER; FLUCTUATIONS; YBA2CU3O6.67; PSEUDOGAP; TRANSPORT; CUPRATE; DRIVEN AB The interplay between charge density waves (CDWs) and high-temperature superconductivity is currently under intense investigation(1-10). Experimental research on this issue is difficult because CDW formation in bulk copper oxides is strongly influenced by random disorder(11-13), and a long-range-ordered CDW state in high magnetic fields(14-16) is difficult to access with spectroscopic and diffraction probes. Here we use resonant X-ray scattering in zero magnetic field to show that interfaces with the metallic ferromagnet La2/3Ca1/3MnO3 greatly enhance CDW formation in the optimally doped high-temperature superconductor YBa2Cu3O6+delta (delta similar to 1), and that this effect persists over several tens of nanometres. The wavevector of the incommensurate CDW serves as an internal calibration standard of the charge carrier concentration, which allows us to rule out any significant influence of oxygen non-stoichiometry, and to attribute the observed phenomenon to a genuine electronic proximity effect. Long-range proximity effects induced by heterointerfaces thus offer a powerful method to stabilize the charge-density-wave state in the cuprates and, more generally, to manipulate the interplay between different collective phenomena in metal oxides. C1 [Frano, A.; Blanco-Canosa, S.; Lu, Y.; Wu, M.; Bluschke, M.; Minola, M.; Christiani, G.; Habermeier, H. U.; Logvenov, G.; Wang, Y.; van Aken, P. A.; Benckiser, E.; Le Tacon, M.; Keimer, B.] Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany. [Frano, A.; Schierle, E.; Bluschke, M.; Weschke, E.] Helmholtz Zentrum Berlin Mat & Energie, Wilhelm Conrad Rontgen Campus BESSY 2, D-12489 Berlin, Germany. [Frano, A.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Frano, A.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Blanco-Canosa, S.] CIC NanoGUNE, Donostia San Sebastian 20018, Basque Country, Spain. [Le Tacon, M.] Karlsruher Inst Technol, Inst Festkorperphys, Postfach 3640, D-76021 Karlsruhe, Germany. RP Keimer, B (reprint author), Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM b.keimer@fkf.mpg.de RI nanoGUNE, CIC/A-2623-2015 FU Deutsche Forschungsgemeinschaft within the framework of the SFB/TRR 80 FX We acknowledge fruitful discussions with V. Hinkov, V. Zabolotnyy, A. Charnukha, G. Sawatzky and C. Bernhard. This work was partly funded by the Deutsche Forschungsgemeinschaft within the framework of the SFB/TRR 80. NR 35 TC 4 Z9 4 U1 22 U2 40 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD AUG PY 2016 VL 15 IS 8 BP 831 EP + DI 10.1038/NMAT4682 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DS5UV UT WOS:000380849200013 PM 27322824 ER PT J AU Jiang, LL Shi, ZW Zeng, B Wang, S Kang, JH Joshi, T Jin, CH Ju, L Kim, J Lyu, T Shen, YR Crommie, M Gao, HJ Wang, F AF Jiang, Lili Shi, Zhiwen Zeng, Bo Wang, Sheng Kang, Ji-Hun Joshi, Trinity Jin, Chenhao Ju, Long Kim, Jonghwan Lyu, Tairu Shen, Yuen-Ron Crommie, Michael Gao, Hong-Jun Wang, Feng TI Soliton-dependent plasmon reflection at bilayer graphene domain walls SO NATURE MATERIALS LA English DT Article ID FIELD; MICROSCOPY; TRANSPORT; STACKING; DEVICES AB Layer-stacking domain walls in bilayer graphene are emerging as a fascinating one-dimensional system(1-11) that features stacking solitons(1-4) structurally and quantum valley Hall boundary states(5-11) electronically. The interactions between electrons in the 2D graphene domains and the one-dimensional domain-wall solitons can lead to further new quantum phenomena. Domain-wall solitons of varied local structures exist along different crystallographic orientations(1,2,12,13), which can exhibit distinct electrical, mechanical and optical properties. Here we report soliton-dependent 2D graphene plasmon reflection at different 1D domain-wall solitons in bilayer graphene using near-field infrared nanoscopy. We observe various domain-wall structures in mechanically exfoliated graphene bilayers, including network-forming triangular lattices, individual straight or bent lines, and even closed circles. The near-field infrared contrast of domain-wall solitons arises from plasmon reflection at domain walls, and exhibits markedly different behaviours at the tensile-and shear-type domain-wall solitons. In addition, the plasmon reflection at domain walls exhibits a peculiar dependence on electrostatic gating. Our study demonstrates the unusual and tunable coupling between 2D graphene plasmons and domain-wall solitons. C1 [Jiang, Lili; Shi, Zhiwen; Zeng, Bo; Wang, Sheng; Kang, Ji-Hun; Joshi, Trinity; Jin, Chenhao; Ju, Long; Kim, Jonghwan; Shen, Yuen-Ron; Crommie, Michael; Wang, Feng] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Jiang, Lili; Gao, Hong-Jun] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Lyu, Tairu] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China. [Shen, Yuen-Ron; Crommie, Michael; Wang, Feng] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Crommie, Michael; Wang, Feng] Univ Calif Berkeley, Kavli Energy NanoSci, Berkeley, CA 94720 USA. [Crommie, Michael; Wang, Feng] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wang, F (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.; Wang, F (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Wang, F (reprint author), Univ Calif Berkeley, Kavli Energy NanoSci, Berkeley, CA 94720 USA.; Wang, F (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM fengwang76@berkeley.edu RI wang, Feng/I-5727-2015; Shi, Zhiwen/C-4945-2013 OI Shi, Zhiwen/0000-0002-3928-2960 FU Office of Basic Energy Science, Department of Energy [DE-AC02-05CH11231]; Chinese Academy of Sciences; NSF Graduate Research Fellowship Program [DGE 1106400] FX The near-field infrared nanoscopy measurements and plasmon analysis are supported by the Office of Basic Energy Science, Department of Energy under contract No. DE-AC02-05CH11231 (Sub-wavelength Metamaterial programme). The bilayer graphene domain-wall sample preparation and characterization are supported by the Office of Naval Research award No. N00014-15-1-2651 (device fabrication and characterization) and the National Science Foundation award No. DMR-1206512 (sample preparation). L. Jiang acknowledges support from the Chinese Academy of Sciences. T.J. acknowledges support from the NSF Graduate Research Fellowship Program under Grant No. DGE 1106400. NR 32 TC 3 Z9 3 U1 28 U2 42 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD AUG PY 2016 VL 15 IS 8 BP 840 EP + DI 10.1038/NMAT4653 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DS5UV UT WOS:000380849200015 PM 27240109 ER PT J AU Bachman, JE Smith, ZP Li, T Xu, T Long, JR AF Bachman, Jonathan E. Smith, Zachary P. Li, Tao Xu, Ting Long, Jeffrey R. TI Enhanced ethylene separation and plasticization resistance in polymer membranes incorporating metal-organic framework nanocrystals SO NATURE MATERIALS LA English DT Article ID MIXED-MATRIX MEMBRANES; IRON(II) COORDINATION SITES; HYDROCARBON SEPARATIONS; TIME-LAG; POLYIMIDES; DIFFUSION; GRAPHENE AB The implementation of membrane-based separations in the petrochemical industry has the potential to reduce energy consumption significantly relative to conventional separation processes(1). Achieving this goal, however, requires the development of new membrane materials with greater selectivity, permeability and stability than available at present. Here, we report composite materials consisting of nanocrystals of metal-organic frameworks dispersed within a high-performance polyimide, which can exhibit enhanced selectivity for ethylene over ethane, greater ethylene permeability and improved membrane stability. Our results suggest that framework-polymer interactions reduce chain mobility of the polymer while simultaneously boosting membrane separation performance. The increased stability, or plasticization resistance, is expected to improve membrane utility under real process conditions for petrochemical separations and natural gas purification. Furthermore, this approach can be broadly applied to numerous polymers that encounter aggressive environments, potentially making gas separations possible that were previously inaccessible to membranes. C1 [Bachman, Jonathan E.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Smith, Zachary P.; Xu, Ting; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Li, Tao; Xu, Ting] Univ Calif Berkeley, Dept Mat Sci, Berkeley, CA 94720 USA. [Xu, Ting; Long, Jeffrey R.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Long, JR (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Long, JR (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM jrlong@berkeley.edu FU Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center - US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015]; NSF FX This research was supported through the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award DE-SC0001015. We thank J. Mason for helpful discussions. We also thank the NSF for providing graduate fellowship support for J.E.B. NR 38 TC 10 Z9 11 U1 69 U2 113 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD AUG PY 2016 VL 15 IS 8 BP 845 EP + DI 10.1038/NMAT4621 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DS5UV UT WOS:000380849200016 PM 27064528 ER PT J AU Zhai, YM DuChene, JS Wang, YC Qiu, JJ Johnston-Peck, AC You, B Guo, WX DiCiaccio, B Qian, K Zhao, EW Ooi, F Hu, DH Su, D Stach, EA Zhu, ZH Wei, WD AF Zhai, Yueming DuChene, Joseph S. Wang, Yi-Chung Qiu, Jingjing Johnston-Peck, Aaron C. You, Bo Guo, Wenxiao DiCiaccio, Benedetto Qian, Kun Zhao, Evan W. Ooi, Frances Hu, Dehong Su, Dong Stach, Eric A. Zhu, Zihua Wei, Wei David TI Polyvinylpyrrolidone-induced anisotropic growth of gold nanoprisms in plasmon-driven synthesis SO NATURE MATERIALS LA English DT Article ID COLLOIDAL METAL NANOCRYSTALS; SHAPE-CONTROLLED SYNTHESIS; SILVER NANOCRYSTALS; CHEMICAL-STABILITY; NANOPARTICLES; SEEDS; NANOSTRUCTURES; PHOTOVOLTAGE; AU; AG AB After more than a decade, it is still unknown whether the plasmon-mediated growth of silver nanostructures can be extended to the synthesis of other noble metals, as the molecular mechanisms governing the growth process remain elusive. Herein, we demonstrate the plasmon-driven synthesis of gold nanoprisms and elucidate the details of the photochemical growth mechanism at the single-nanoparticle level. Our investigation reveals that the surfactant polyvinylpyrrolidone preferentially adsorbs along the nanoprism perimeter and serves as a photochemical relay to direct the anisotropic growth of gold nanoprisms. This discovery confers a unique function to polyvinylpyrrolidone that is fundamentally different from its widely accepted role as a crystal-face-blocking ligand. Additionally, we find that nanocrystal twinning exerts a profound influence on the kinetics of this photochemical process by controlling the transport of plasmon-generated hot electrons to polyvinylpyrrolidone. These insights establish a molecular-level description of the underlying mechanisms regulating the plasmon-driven synthesis of gold nanoprisms. C1 [Zhai, Yueming; DuChene, Joseph S.; Wang, Yi-Chung; Qiu, Jingjing; You, Bo; Guo, Wenxiao; DiCiaccio, Benedetto; Qian, Kun; Zhao, Evan W.; Ooi, Frances; Wei, Wei David] Univ Florida, Dept Chem, Gainesville, FL 32611 USA. [Zhai, Yueming; DuChene, Joseph S.; Wang, Yi-Chung; Qiu, Jingjing; You, Bo; Guo, Wenxiao; DiCiaccio, Benedetto; Qian, Kun; Zhao, Evan W.; Ooi, Frances; Wei, Wei David] Univ Florida, Ctr Nanostruct Elect Mat, Gainesville, FL 32611 USA. [Wang, Yi-Chung; Hu, Dehong; Zhu, Zihua] Pacific Northwest Natl Lab, Environm Mol Sci Lab, 3335 Q Ave, Richland, WA 99354 USA. [Johnston-Peck, Aaron C.; Su, Dong; Stach, Eric A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Wei, WD (reprint author), Univ Florida, Dept Chem, Gainesville, FL 32611 USA.; Wei, WD (reprint author), Univ Florida, Ctr Nanostruct Elect Mat, Gainesville, FL 32611 USA. EM wei@chem.ufl.edu RI Stach, Eric/D-8545-2011; Hu, Dehong/B-4650-2010; Zhu, Zihua/K-7652-2012; Su, Dong/A-8233-2013 OI Stach, Eric/0000-0002-3366-2153; Hu, Dehong/0000-0002-3974-2963; Su, Dong/0000-0002-1921-6683 FU Air Force Office of Scientific Research [FA9550-14-1-0304]; National Science Foundation [CHE-1308644]; CCI Center for Nanostructured Electronic Materials [CHE-1038015]; University of Florida (UF) Howard Hughes Medical Institute (HHMI) Intramural Award; UF University Scholars Program; UF's Student Science Training Program; US Department of Energy (DOE), Office of Basic Energy Sciences [DE-SC0012704]; DOE Office of Biological and Environmental Research at the Pacific Northwest National Laboratory (PNNL) (Richland, Washington); US DOE [DE-AC06-76RLO1930] FX The work is supported by the Air Force Office of Scientific Research under AFOSR Award No. FA9550-14-1-0304. We also thank the National Science Foundation for support under Grant CHE-1308644 and the CCI Center for Nanostructured Electronic Materials (CHE-1038015). F.O. and B.D. acknowledge the generous support from the University of Florida (UF) Howard Hughes Medical Institute (HHMI) Intramural Award and the UF University Scholars Program. B.Y. acknowledges support from UF's Student Science Training Program. We thank M. Hill and B. Sumerlin for assistance with zeta potential measurements. Electron microscopy work was carried out in part at the Center for Functional Nanomaterials at Brookhaven National Laboratory (Upton, New York) through User Proposal BNL-CFN-31913 and BNL-CFN-33789, supported by the US Department of Energy (DOE), Office of Basic Energy Sciences, under Contract DE-SC0012704. A portion of the research (AFM and NanoSIMS characterization) was performed at the Environmental Molecular Sciences Laboratory (EMSL) through User Proposal 40065, a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL) (Richland, Washington). PNNL is operated by Battelle for the US DOE under contract DE-AC06-76RLO1930. NR 44 TC 9 Z9 9 U1 39 U2 72 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD AUG PY 2016 VL 15 IS 8 BP 889 EP + DI 10.1038/NMAT4683 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA DS5UV UT WOS:000380849200024 PM 27376686 ER PT J AU Arsenyev, SA Temkin, RJ Shchegolkov, DY Simakov, EI Boulware, CH Grimm, TL Rogacki, AR AF Arsenyev, Sergey A. Temkin, Richard J. Shchegolkov, Dmitry Yu. Simakov, Evgenya I. Boulware, Chase H. Grimm, Terry L. Rogacki, Adam R. TI Higher order mode damping in a five-cell superconducting rf cavity with a photonic band gap coupler cell SO PHYSICAL REVIEW ACCELERATORS AND BEAMS LA English DT Article AB We present a study of higher order mode (HOM) damping in the first multicell superconducting radio-frequency (SRF) cavity with a photonic band gap (PBG) coupler cell. Achieving higher average beam currents is particularly desirable for future light sources and particle colliders based on SRF energy-recovery linacs (ERLs). Beam current in ERLs is limited by the beam breakup instability, caused by parasitic HOMs interacting with the beam in accelerating cavities. A PBG cell incorporated in an accelerating cavity can reduce the negative effect of HOMs by providing a frequency selective damping mechanism, thus allowing significantly higher beam currents. The five-cell cavity with a PBG cell was designed and optimized for HOM damping. Monopole and dipole HOMs were simulated. The SRF cavity was fabricated and tuned. External quality factors for some HOMs were measured in a cold test. The measurements agreed well with the simulations. C1 [Arsenyev, Sergey A.; Temkin, Richard J.] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Shchegolkov, Dmitry Yu.; Simakov, Evgenya I.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Boulware, Chase H.; Grimm, Terry L.; Rogacki, Adam R.] Niowave Inc, 1012 North Walnut St, Lansing, MI 48906 USA. RP Arsenyev, SA (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM sergejs@alum.mit.edu OI Shchegolkov, Dmitry/0000-0002-0721-3397; Simakov, Evgenya/0000-0002-7483-1152 FU DOE Office of Nuclear Physics SBIR Grant [DE-SC0009523]; U.S. Department of Energy (DOE) Office of Science Early Career Research Program; DOE Office of High Energy Physics Grant [DE-SC0010075] FX This work was supported by DOE Office of Nuclear Physics SBIR Grant No. DE-SC0009523 the U.S. Department of Energy (DOE) Office of Science Early Career Research Program, and the DOE Office of High Energy Physics Grant No. DE-SC0010075. NR 41 TC 0 Z9 0 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9888 J9 PHYS REV ACCEL BEAMS JI Phys. Rev. Accel. Beams PD AUG 1 PY 2016 VL 19 IS 8 AR 081301 DI 10.1103/PhysRevAccelBeams.19.081301 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA DT8ES UT WOS:000381722600002 ER PT J AU Zha, H Jing, CG Qiu, JQ Wisniewski, EE Conde, M Power, JG Doran, DS Liu, WM Shi, JR Li, C Gai, W Chen, HB AF Zha, Hao Jing, Chunguang Qiu, Jiaqi Wisniewski, Eric E. Conde, Manoel Power, John G. Doran, Darrell S. Liu, Wanming Shi, Jiaru Li, Chen Gai, Wei Chen, Huaibi TI Beam-induced wakefield observation in X-band choke-mode cavities SO PHYSICAL REVIEW ACCELERATORS AND BEAMS LA English DT Article AB The X-band choke-mode structure is currently being studied as an alternative design for the accelerating structure of the compact linear collider (CLIC) main linac. The geometry of the choke-mode structure is designed to ensure the strong suppression of the beam-induced long-range transverse wakefield and therefore maintain the stability and quality of the beam in the CLIC main linac. Experiments conducted at the ArgonneWakefield Accelerator Facility are presented in this study to verify the design of the wakefield suppressor. The beam-induced radio frequency (rf) signals in a three-cell choke-mode structure were measured, and measured results show good agreement with the simulation results. The measured results also show strong damping in high-order dipolar modes with a quality factor Q of 10 to 20. The difference between the frequencies of the first and second dipole modes is about 3 GHz, which validates the special design of the cancelling dipole modes at the time of the succeeding bunch (0.5 ns). C1 [Zha, Hao; Shi, Jiaru; Li, Chen; Gai, Wei; Chen, Huaibi] Tsinghua Univ, Dept Engn Phys, Beijing 100086, Peoples R China. [Zha, Hao; Jing, Chunguang; Qiu, Jiaqi; Wisniewski, Eric E.; Conde, Manoel; Power, John G.; Doran, Darrell S.; Liu, Wanming; Li, Chen; Gai, Wei] Argonne Natl Lab, Argonne, IL 60439 USA. [Jing, Chunguang; Qiu, Jiaqi] Euclid Tech Labs LLC, Solon, OH 44139 USA. [Zha, Hao; Shi, Jiaru] CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. RP Zha, H (reprint author), Tsinghua Univ, Dept Engn Phys, Beijing 100086, Peoples R China.; Zha, H (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA.; Zha, H (reprint author), CERN, European Org Nucl Res, CH-1211 Geneva, Switzerland. EM jingchg@anl.gov; shij@mail.tsinghua.edu.cn FU DOE [W-31-109-ENG-38]; National Natural Science Foundation of China (NSFC) [11135004, 11375098] FX The authors thank Chuanjing Wang for his invaluable assistance in manufacturing all the disks. The authors also thank Xiaowei Wu, Yawei Yang, Alexej Grudiev, and Walter Wuensch for their helpful discussions. This work is supported by DOE under contract W-31-109-ENG-38 and the National Natural Science Foundation of China (NSFC) (Grant Nos. 11135004 and 11375098). NR 22 TC 0 Z9 0 U1 2 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9888 J9 PHYS REV ACCEL BEAMS JI Phys. Rev. Accel. Beams PD AUG 1 PY 2016 VL 19 IS 8 AR 081001 DI 10.1103/PhysRevAccelBeams.19.081001 PG 9 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA DT8ES UT WOS:000381722600001 ER PT J AU Jungclaus, A Grawe, H Nishimura, S Doornenbal, P Lorusso, G Simpson, GS Soderstrom, PA Sumikama, T Taprogge, J Xu, ZY Baba, H Browne, F Fukuda, N Gernhauser, R Gey, G Inabe, N Isobe, T Jung, HS Kameda, D Kim, GD Kim, YK Kojouharov, I Kubo, T Kurz, N Kwon, YK Li, Z Sakurai, H Schaffner, H Shimizu, Y Steiger, K Suzuki, H Takeda, H Vajta, Z Watanabe, H Wu, J Yagi, A Yoshinaga, K Benzoni, G Bonig, S Chae, KY Coraggio, L Daugas, JM Drouet, F Gadea, A Gargano, A Ilieva, S Itaco, N Kondev, FG Kroll, T Lane, GJ Montaner-Piza, A Moschner, K Mucher, D Naqvi, F Niikura, M Nishibata, H Odahara, A Orlandi, R Patel, Z Podolyak, Z Wendt, A AF Jungclaus, A. Grawe, H. Nishimura, S. Doornenbal, P. Lorusso, G. Simpson, G. S. Soederstroem, P. -A. Sumikama, T. Taprogge, J. Xu, Z. Y. Baba, H. Browne, F. Fukuda, N. Gernhaeuser, R. Gey, G. Inabe, N. Isobe, T. Jung, H. S. Kameda, D. Kim, G. D. Kim, Y. -K. Kojouharov, I. Kubo, T. Kurz, N. Kwon, Y. K. Li, Z. Sakurai, H. Schaffner, H. Shimizu, Y. Steiger, K. Suzuki, H. Takeda, H. Vajta, Zs. Watanabe, H. Wu, J. Yagi, A. Yoshinaga, K. Benzoni, G. Boenig, S. Chae, K. Y. Coraggio, L. Daugas, J. -M. Drouet, F. Gadea, A. Gargano, A. Ilieva, S. Itaco, N. Kondev, F. G. Kroell, T. Lane, G. J. Montaner-Piza, A. Moschner, K. Muecher, D. Naqvi, F. Niikura, M. Nishibata, H. Odahara, A. Orlandi, R. Patel, Z. Podolyak, Zs. Wendt, A. TI beta decay of semi-magic Cd-130: Revision and extension of the level scheme of In-130 SO PHYSICAL REVIEW C LA English DT Article ID MODEL HALF-LIVES; R-PROCESS; N=82 NUCLEI; IDENTIFICATION AB The beta decay of the semi-magic nucleus Cd-130 has been studied at the RIBF facility at the RIKEN Nishina Center. The high statistics of the present experiment allowed for a revision of the established level scheme of In-130 and the observation of additional beta feeding to high- lying core-excited states in In-130. The experimental results are compared to shell-model calculations employing a model space consisting of the full major N = 50-82 neutron and Z = 28-50 proton shells and the NA-14 interaction, and good agreement is found. C1 [Jungclaus, A.; Taprogge, J.] CSIC, Inst Estruct Mat, E-28006 Madrid, Spain. [Grawe, H.; Kojouharov, I.; Kurz, N.; Schaffner, H.] GSI Helmholtzzentrum Schwerionenforsch GmbH, D-64291 Darmstadt, Germany. [Nishimura, S.; Doornenbal, P.; Lorusso, G.; Soederstroem, P. -A.; Taprogge, J.; Baba, H.; Browne, F.; Fukuda, N.; Gey, G.; Inabe, N.; Isobe, T.; Kameda, D.; Kubo, T.; Sakurai, H.; Shimizu, Y.; Suzuki, H.; Takeda, H.; Vajta, Zs.; Watanabe, H.; Wu, J.] RIKEN, Nishina Ctr, 2-1 Hirosawa, Wako, Saitama 3510198, Japan. [Lorusso, G.] Natl Phys Lab, Teddington TW11 0LW, Middx, England. [Lorusso, G.; Patel, Z.; Podolyak, Zs.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Simpson, G. S.; Gey, G.; Drouet, F.] Univ Grenoble 1, CNRS IN2P3, Inst Natl Polytech Grenoble, LPSC, F-38026 Grenoble, France. [Sumikama, T.] Tohoku Univ, Dept Phys, Aoba Ku, Sendai, Miyagi 9808578, Japan. [Taprogge, J.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Xu, Z. Y.; Sakurai, H.; Niikura, M.] Univ Tokyo, Dept Phys, Bunkyo Ku, Hongo 7-3-1, Tokyo 1130033, Japan. [Browne, F.] Univ Brighton, Sch Comp Engn & Math, Brighton BN2 4GJ, E Sussex, England. [Gernhaeuser, R.; Steiger, K.; Muecher, D.] Tech Univ Munich, Phys Dept E12, D-85748 Garching, Germany. [Gey, G.] Inst Laue Langevin, BP 156, F-38042 Grenoble 9, France. [Jung, H. S.] Chung Ang Univ, Dept Phys, Seoul 156756, South Korea. [Kim, G. D.; Kim, Y. -K.; Kwon, Y. K.] Inst for Basic Sci Korea, Rare Isotope Sci Project, Daejeon 305811, South Korea. [Kim, Y. -K.] Hanyang Univ, Dept Nucl Engn, Seoul 133791, South Korea. [Li, Z.; Wu, J.] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. [Li, Z.; Wu, J.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. [Vajta, Zs.] MTA Atomki, POB 51, H-4001 Debrecen, Hungary. [Yagi, A.; Nishibata, H.; Odahara, A.] Osaka Univ, Dept Phys, Machikaneyama Machi 1-1, Osaka, Toyonaka 5600043, Japan. [Yoshinaga, K.] Tokyo Univ Sci, Fac Sci & Technol, Dept Phys, 2641 Yamazaki, Noda, Chiba, Japan. [Benzoni, G.] Ist Nazl Fis Nucl, Sez Milano, Via Celoria 16, I-20133 Milan, Italy. [Boenig, S.; Ilieva, S.] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Chae, K. Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Coraggio, L.; Gargano, A.; Itaco, N.] Complesso Univ Monte S Angelo, Ist Nazl Fis Nucl, I-80126 Naples, Italy. [Daugas, J. -M.] CEA, DAM, DIF, F-91297 Arpajon, France. [Gadea, A.; Montaner-Piza, A.] Univ Valencia, CSIC, Inst Fis Corpuscular, E-46980 Paterna, Spain. [Itaco, N.] Seconda Univ Napoli, Dipartimento Matemat & Fis, I-81100 Caserta, Italy. [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Lane, G. J.] Australian Natl Univ, Res Sch Phys Sci & Engn, Dept Nucl Phys, Canberra, ACT 2000, Australia. [Moschner, K.; Wendt, A.] Univ Cologne, IKP, D-50937 Cologne, Germany. [Naqvi, F.] Yale Univ, Wright Nucl Struct Lab, New Haven, CT 06520 USA. [Orlandi, R.] Katholieke Univ Leuven, Inst Kern En StralingsFys, B-3001 Heverlee, Belgium. [Orlandi, R.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki 3191195, Japan. [Jung, H. S.] Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RP Jungclaus, A (reprint author), CSIC, Inst Estruct Mat, E-28006 Madrid, Spain. RI SAKURAI, HIROYOSHI/G-5085-2014; Gadea, Andres/L-8529-2014 OI Gadea, Andres/0000-0002-4233-1970 FU Spanish Ministerio de Ciencia e Innovacion [FPA2011-29854-C04]; Spanish Ministerio de Economia y Competitividad [FPA2014-57196-C5-4-P]; Generalitat Valenciana (Spain) [PROMETEO/2010/101]; National Research Foundation of Korea (NRF) grant - Korea government (MEST) [NRF-2014S1A2A2028636, 2016K1A3A7A09005579]; Priority Centers Research Program in Korea [2009-0093817]; OTKA [K-100835]; JSPS KAKENHI [25247045]; European Commission through Marie Curie Actions call FP7-PEOPLE-IEF [300096]; US Department of Energy, Office of Nuclear Physics [DE-AC02-06CH11357]; STFC (UK); RIKEN foreign research program; German BMBF [05P12RDCIA, 05P12RDNUP, 05P12PKFNE]; HIC for FAIR; DFG cluster of excellence "Origin and Structure of the Universe"; DFG [KR2326/2-1] FX We thank the staff of the RIKEN Nishina Center accelerator complex for providing stable beams with high intensities to the experiment. We acknowledge the EUROBALL Owners Committee for the loan of germanium detectors and the PreSpec Collaboration for the readout electronics of the cluster detectors. This work was supported by the Spanish Ministerio de Ciencia e Innovacion under contract FPA2011-29854-C04 and the Spanish Ministerio de Economia y Competitividad under Contract No. FPA2014-57196-C5-4-P, the Generalitat Valenciana (Spain) under Grant No. PROMETEO/2010/101, the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (NRF-2014S1A2A2028636, 2016K1A3A7A09005579), the Priority Centers Research Program in Korea (2009-0093817), OTKA Contract No. K-100835, JSPS KAKENHI (Grant No. 25247045), the European Commission through the Marie Curie Actions call FP7-PEOPLE-2011-IEF under Contract No. 300096, the US Department of Energy, Office of Nuclear Physics, under Contract No. DE-AC02-06CH11357, the STFC (UK), the "RIKEN foreign research program," the German BMBF (No. 05P12RDCIA, No. 05P12RDNUP, and No. 05P12PKFNE), HIC for FAIR, the DFG cluster of excellence "Origin and Structure of the Universe," and DFG (Contract No. KR2326/2-1). NR 32 TC 1 Z9 1 U1 12 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD AUG 1 PY 2016 VL 94 IS 2 AR 024303 DI 10.1103/PhysRevC.94.024303 PG 8 WC Physics, Nuclear SC Physics GA DS7IN UT WOS:000380956900004 ER PT J AU Gijsman, P Dong, WF Quintana, A Celina, M AF Gijsman, Pieter Dong, Weifu Quintana, Adam Celina, Mathew TI Influence of temperature and stabilization on oxygen diffusion limited oxidation profiles of polyamide 6 SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE Polyamide 6; Copper; Irganox (R) 1098; Diffusion limited oxidation; Oxidation profiles; IR and UV-Spectroscopy; Mechanical properties ID THE-ART REPORT; THERMAL-OXIDATION; VULCANIZED RUBBERS; THEORETICAL-MODEL; CHAIN SCISSION; THERMOOXIDATIVE DEGRADATION; IMAGING CHEMILUMINESCENCE; PHOTOCHEMICAL BEHAVIOR; PHENOLIC ANTIOXIDANTS; POLYMER STABILIZATION AB The oxidative degradation behavior of polymers depends on a combination of chemical and physical factors, with oxygen diffusion being one of the most important, especially when the oxygen consumption rate is larger than its permeability. As a result of diffusion limited oxidation (DLO), at high temperatures the degradation rate of poly amide 6 (PA6) plaques is heterogeneous, with the polymer oxidizing much faster at the surface than in the bulk. Normalized carbonyl index (CI) and UV absorption - depth profiles were found to be mostly degradation time independent, implying equilibrium degradation conditions where oxygen permeability and reaction rates did not change significantly with degradation time. The experimental DLO profiles were described using a basic reactive-diffusion model based on Fickian oxygen diffusion and an oxidation rate being first order in local O-2 concentration, as well as by applying an established DLO model based on the basic autoxidation mechanism. Analysis with the second model yielded the best estimation of high temperature oxygen permeability (P-O2) data. It also showed some of the limitations in the data analysis when using a simple first order DLO model. It was shown that stabilizers have an influence on the oxidation - depth profiles. Better stabilization results in slower polymer oxidation and the oxidation - depth profiles are therefore less pronounced. At 170 degrees C it was observed that stabilized plaques (0.5 mm) in the center oxidize faster than unstabilized plaques, which is attributed to the complete consumption of oxygen in the outer layers for the unstabilized plaques. Oxidation rates of differently stabilized samples were also determined by applying the second DLO model. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Gijsman, Pieter; Dong, Weifu] Eindhoven Univ Technol, Dept Chem Engn, Lab Polymer Technol, POB 513, NL-5600 MB Eindhoven, Netherlands. [Gijsman, Pieter; Dong, Weifu] DPI, POB 902, NL-5600 AX Eindhoven, Netherlands. [Gijsman, Pieter] DSM Ahead TP, POB 18, NL-6160 MD Geleen, Netherlands. [Dong, Weifu] Jiangnan Univ, Key Lab Food Colloids & Biotechnol, Wuxi, Peoples R China. [Quintana, Adam; Celina, Mathew] Sandia Natl Labs, Organ Mat Sci Dept 1853, POB 5800, Albuquerque, NM 87185 USA. RP Gijsman, P (reprint author), DSM Ahead TP, POB 18, NL-6160 MD Geleen, Netherlands. EM pieter.gijsman@dsm.com FU Research Program of the Dutch Polymer Institute (DPI) [581] FX The authors would like to thank DSM for supplying the poly amide 6. This research was part of the Research Program of the Dutch Polymer Institute (DPI) under project nr. 581. NR 61 TC 3 Z9 3 U1 7 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 EI 1873-2321 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD AUG PY 2016 VL 130 BP 83 EP 96 DI 10.1016/j.polymdegradstab.2016.05.024 PG 14 WC Polymer Science SC Polymer Science GA DS7OI UT WOS:000380972400010 ER PT J AU Yang, DL Pacheco, R Edwards, S Torres, J Henderson, K Sykora, M Stark, P Larson, S AF Yang, Dali Pacheco, Robin Edwards, Stephanie Torres, Joseph Henderson, Kevin Sykora, Milan Stark, Peter Larson, Sheldon TI Thermal stability of a eutectic mixture of bis(2,2-dinitropropyl) acetal and formal: Part B. Degradation mechanisms under water and high humidity environments SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE Nitroplasticizer; BDNPA; BDNPF; Condensed phase; Estane; Stability; Degradation AB As a continuation of our effort to understand degradation mechanisms of a eutectic mixture of bis(2,2-dinitropropyl) acetal (BDNPA) and bis(2,2-dinitropropyl) formal (BDNPF) (referred to as NP) under various environmental conditions, we investigated the thermal stability of NP under water and 74% relative humidity (RH) environments at temperatures below 70 degrees C. Based on a comprehensive characterization of samples aged over a period of two years, we conclude that in the presence of water the reaction pathways of NP degradation are different from those observed in air or under nitrogen atmosphere. We found that the physical state of water molecules plays an important role as it determines the ability of oxygen to participate in the NP degradation process. Based on the results obtained in Parts A and B of these studies, we conclude that the rate of NP degradation increases in the following order: nitrogen < water < air < water vapor + air. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Yang, Dali; Pacheco, Robin; Edwards, Stephanie; Torres, Joseph; Henderson, Kevin] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Sykora, Milan; Stark, Peter] Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. [Larson, Sheldon] Los Alamos Natl Lab, Explos Sci & Shock Phys Div, POB 1663, Los Alamos, NM 87545 USA. RP Yang, DL (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM dyang@lanl.gov FU Enhanced Surveillance Campaign (C8); US Department of Energy's National Nuclear Security Administration [DE-AC52-06NA25396] FX We thank Darla Thompson and Annie Giambra for sharing their NP samples aged under high humidity at 70 degrees C and thank Andrea Labouriau for collecting 1H NMR spectra for the hydrated samples. We also wish to thank Thomas Zocco for his support in executing this work. This work is funded by Enhanced Surveillance Campaign (C8) and the US Department of Energy's National Nuclear Security Administration under the contract DE-AC52-06NA25396. NR 18 TC 0 Z9 0 U1 8 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 EI 1873-2321 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD AUG PY 2016 VL 130 BP 338 EP 347 DI 10.1016/j.polymdegradstab.2016.06.007 PG 10 WC Polymer Science SC Polymer Science GA DS7OI UT WOS:000380972400034 ER PT J AU Le Gac, PY Celina, M Roux, G Verdu, J Davies, P Fayolle, B AF Le Gac, Pierre Yves Celina, Mathew Roux, Gerard Verdu, Jacques Davies, Peter Fayolle, Bruno TI Predictive ageing of elastomers: Oxidation driven modulus changes for polychloroprene SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE Polychloroprene; Ageing; Sulfur vulcanization; Oxidation; Kinetic modeling; Modulus changes ID DIFFUSION-LIMITED OXIDATION; THERMAL-OXIDATION; POLYISOPRENE ELASTOMERS; GENERAL-SOLUTION; CROSS-LINKING; PART 2; POLYBUTADIENE; THICKNESS; PROFILES; SCHEME AB The oxidative ageing in the range of 60 degrees C-140 degrees C of sulfur vulcanized polychloroprene has been studied by FTIR spectroscopy (double bond consumption), modulus changes and oxygen absorption measurements. Experiments were carried out on thin films and thick samples to investigate both homogeneous and inhomogeneous (diffusion controlled) oxidation with the goal of establishing the underlying correlation between oxidative degradation chemistry and mechanical property changes. A correlation between oxidatively driven degradation chemistry and modulus is possible using the established approaches of rubber elasticity where an effective crosslinking yield due to double bond reactions is of the order of 30% for this material (i.e. the loss of 3 double bonds results in one effective crosslink associated with material hardening). It is then possible to predict modulus changes induced by oxidation for vulcanized and unstabilized polychloroprene rubber. A kinetic model is introduced with two propagation reactions (hydrogen abstraction and radical addition to double bonds) and two stabilization processes involving sulfur containing moieties from the vulcanization process. The kinetic scheme was solved and the relevant rate constants determined. This model can adequately predict modulus changes in films and thick samples as a function of time and spatially resolved. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Le Gac, Pierre Yves; Davies, Peter] IFREMER, Ctr Bretagne, Marine Struct Lab, CS 10070, F-29280 Plouzane, France. [Celina, Mathew] Sandia Natl Labs, Organ Mat Sci Dept 1853, POB 5800, Albuquerque, NM 87185 USA. [Roux, Gerard] TUS, Route Dolines,BP 157, F-06903 Sophia Antipolis, France. [Verdu, Jacques] PIMM, Arts & Metiers ParisTech, CNRS, CNAM, 151 Bd Hop, F-75013 Paris, France. RP Le Gac, PY (reprint author), IFREMER, Ctr Bretagne, Marine Struct Lab, CS 10070, F-29280 Plouzane, France. EM pierre.yves.le.gac@ifremer.fr RI Pierre Yves, Le Gac/B-8542-2016; davies, peter/C-6524-2011; OI Pierre Yves, Le Gac/0000-0003-3183-1715; davies, peter/0000-0002-0884-748X NR 23 TC 0 Z9 0 U1 3 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 EI 1873-2321 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD AUG PY 2016 VL 130 BP 348 EP 355 DI 10.1016/j.polymdegradstab.2016.06.014 PG 8 WC Polymer Science SC Polymer Science GA DS7OI UT WOS:000380972400035 ER PT J AU Orr, RM Pope, RP Knapik, JJ AF Orr, Robin M. Pope, Rodney P. Knapik, Joseph J. TI A Physical Training Framework for Reserve Personnel: A Rationalization and Recommendations SO STRENGTH AND CONDITIONING JOURNAL LA English DT Article DE military; part time; conditioning; fitness; injury prevention ID RISK-FACTORS; FITNESS TEST; NATIONAL-GUARD; IRAQI FREEDOM; DISEASE RISK; US-ARMY; PERFORMANCE; SOLDIERS; INJURY; RESISTANCE AB Reserve (part-time) army personnel typically perform occupational and operational tasks akin to those of their active-duty counterparts but may have lower fitness because of less physical training. As such, reserve military personnel may be at a greater risk of injury and have physical performance deficits. To improve fitness and performance, training guidelines suggest 3 d/wk aerobic training and 2 d/wk of strength training, although some days may include both. Among reserve military personnel away from their units, both general and occupationally oriented training could be tracked using computer applications and/or by evening training in groups, which may improve compliance and motivation. C1 [Orr, Robin M.; Pope, Rodney P.; Knapik, Joseph J.] Bond Univ, Tact Res Unit, Gold Coast, Australia. [Knapik, Joseph J.] Oak Ridge Inst Sci & Educ, US Army Res Inst Environm Med, Belcamp, MD USA. RP Orr, RM (reprint author), Bond Univ, Tact Res Unit, Gold Coast, Australia. EM rorr@bond.edu.au FU Defence Health Foundation FX Supported by a Defence Health Foundation grant. NR 53 TC 0 Z9 0 U1 3 U2 3 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA TWO COMMERCE SQ, 2001 MARKET ST, PHILADELPHIA, PA 19103 USA SN 1524-1602 EI 1533-4295 J9 STRENGTH COND J JI Strength Cond. J. PD AUG PY 2016 VL 38 IS 4 BP 36 EP 41 DI 10.1519/SSC.0000000000000238 PG 6 WC Sport Sciences SC Sport Sciences GA DS4OZ UT WOS:000380761700004 ER PT J AU Long, PE Williams, KH Hubbard, SS Banfield, JF AF Long, Philip E. Williams, Kenneth H. Hubbard, Susan S. Banfield, Jillian F. TI Microbial Metagenomics Reveals Climate-Relevant Subsurface Biogeochemical Processes SO TRENDS IN MICROBIOLOGY LA English DT Review ID URANIUM-CONTAMINATED GROUNDWATER; IN-SITU BIOREMEDIATION; GENOME SEQUENCES; PERMAFROST; BACTERIA; AQUIFER; CARBON; SOIL; POPULATIONS; METABOLISM AB Microorganisms play key roles in terrestrial system processes, including the turnover of natural organic carbon, such as leaf litter and woody debris that accumulate in soils and subsurface sediments. What has emerged from a series of recent DNA sequencing-based studies is recognition of the enormous variety of little known and previously unknown microorganisms that mediate recycling of these vast stores of buried carbon in subsoil compartments of the terrestrial system. More importantly, the genome resolution achieved in these studies has enabled association of specific members of these microbial communities with carbon compound transformations and other linked biogeochemical processes-such as the nitrogen cycle-that can impact the quality of groundwater, surface water, and atmospheric trace gas concentrations. The emerging view also emphasizes the importance of organism interactions through exchange of metabolic byproducts (e.g., within the carbon, nitrogen, and sulfur cycles) and via symbioses since many novel organisms exhibit restricted metabolic capabilities and an associated extremely small cell size. New, genome-resolved information reshapes our view of subsurface microbial communities and provides critical new inputs for advanced reactive transport models. These inputs are needed for accurate prediction of feedbacks in watershed biogeochemical functioning and their influence on the climate via the fluxes of greenhouse gases, CO2, CH4, and N2O. C1 [Long, Philip E.; Williams, Kenneth H.; Hubbard, Susan S.; Banfield, Jillian F.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Long, PE (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM pelong@lbl.gov RI Hubbard, Susan/E-9508-2010; Long, Philip/F-5728-2013; Williams, Kenneth/O-5181-2014 OI Long, Philip/0000-0003-4152-5682; Williams, Kenneth/0000-0002-3568-1155 FU US Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemistry Research Program [DE-AC02-05CH11231, DE-SC0004918]; US DOE Joint Genome Institute, a DOE Office of Science User Facility [DE-AC02-05CH11231]; DOE Office of Biological and Environmental Research; US DOE [AC06-76RLO 1830] FX This research was supported by the US Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research, Subsurface Biogeochemistry Research Program under award number DE-AC02-05CH11231 to Lawrence Berkley National Laboratory (Genomes to Watershed Scientific Focus Area) and award number DE-SC0004918 (Systems Biology Knowledge Base Focus Area). Lawrence Berkeley National Laboratory is operated by the University of California for the US DOE. Genomic sequencing was performed at the US DOE Joint Genome Institute, a DOE Office of Science User Facility, supported under contract DE-AC02-05CH11231. Transcriptomics work was conducted at the Environmental Molecular Sciences Laboratory, a National Scientific User Facility sponsored by the DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for the US DOE under contract AC06-76RLO 1830. NR 58 TC 2 Z9 2 U1 31 U2 48 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-842X EI 1878-4380 J9 TRENDS MICROBIOL JI Trends Microbiol. PD AUG PY 2016 VL 24 IS 8 BP 600 EP 610 DI 10.1016/j.tim.2016.04.006 PG 11 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA DS7OQ UT WOS:000380973200003 PM 27156744 ER PT J AU Gao, P Yang, H Rajashankar, KR Huang, ZW Patel, DJ AF Gao, Pu Yang, Hui Rajashankar, Kanagalaghatta R. Huang, Zhiwei Patel, Dinshaw J. TI Type V CRISPR-Cas Cpf1 endonuclease employs a unique mechanism for crRNA-mediated target DNA recognition SO CELL RESEARCH LA English DT Article DE CRISPR-Cas; Cpf1; crRNA; genome editing ID GUIDED SURVEILLANCE COMPLEX; CRYSTAL-STRUCTURE; BACTERIAL IMMUNITY; ESCHERICHIA-COLI; SEED SEQUENCE; DUAL-RNA; SYSTEM; PROKARYOTES; CLEAVAGE; DEFENSE AB CRISPR-Cas9 and CRISPR-Cpf1 systems have been successfully harnessed for genome editing. In the CRIS-PR-Cas9 system, the preordered A-form RNA seed sequence and preformed protein PAM-interacting cleft are essential for Cas9 to form a DNA recognition-competent structure. Whether the CRISPR-Cpf1 system employs a similar mechanism for target DNA recognition remains unclear. Here, we have determined the crystal structure of Acidaminococcus sp. Cpf1 (AsCpf1) in complex with crRNA and target DNA. Structural comparison between the AsCpf1-crRNA-DNA ternary complex and the recently reported Lachnospiraceae bacterium Cpf1 (LbCpf1)-crRNA binary complex identifies a unique mechanism employed by Cpf1 for target recognition. The seed sequence required for initial DNA interrogation is disordered in the Cpf1-cRNA binary complex, but becomes ordered upon ternary complex formation. Further, the PAM interacting cleft of Cpf1 undergoes an "open-to-closed" conformational change upon target DNA binding, which in turn induces structural changes within Cpf1 to accommodate the ordered A-form seed RNA segment. This unique mechanism of target recognition by Cpf1 is distinct from that reported previously for Cas9. C1 [Gao, Pu] Chinese Acad Sci, Inst Biophys, CAS Ctr Excellence Biomacromol, Key Lab Infect & Immun, Beijing 100101, Peoples R China. [Gao, Pu; Yang, Hui; Patel, Dinshaw J.] Mem Sloan Kettering Canc Ctr, Struct Biol Program, New York, NY 10065 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. [Rajashankar, Kanagalaghatta R.] Argonne Natl Lab, Adv Photon Source, NE CAT, Argonne, IL 60349 USA. [Huang, Zhiwei] Harbin Inst Technol, Sch Life Sci & Technol, Harbin 150880, Peoples R China. RP Gao, P (reprint author), Chinese Acad Sci, Inst Biophys, CAS Ctr Excellence Biomacromol, Key Lab Infect & Immun, Beijing 100101, Peoples R China.; Patel, DJ (reprint author), Mem Sloan Kettering Canc Ctr, Struct Biol Program, New York, NY 10065 USA. EM gaopu@ibp.ac.cn; pateld@mskcc.org FU NIGMS [P41 GM103403]; U.S. Department of Energy [DE-AC02-06CH11357]; NIH-ORIP HEI [S10 RR029205]; Cancer Research Institute Irvington Postdoctoral Fellowship; Institute of Biophysics, Beijing, China; NCI [1 U19 CA179564]; Memorial Sloan-Kettering Cancer Center Core Grant [P30 CA008748] FX X-ray diffraction studies were conducted at the Advanced Photon Source on the Northeastern Collaborative Access Team beamlines, which are supported by NIGMS grant P41 GM103403 and U.S. Department of Energy grant DE-AC02-06CH11357. The Pilatus 6M detector on 24-ID-C beam line is funded by a NIH-ORIP HEI grant (S10 RR029205). The research was supported by Cancer Research Institute Irvington Postdoctoral Fellowship and start-up funds from the Institute of Biophysics, Beijing, China to PG and NCI grant 1 U19 CA179564 to DJP and by the Memorial Sloan-Kettering Cancer Center Core Grant (P30 CA008748). NR 36 TC 5 Z9 6 U1 19 U2 32 PU INST BIOCHEMISTRY & CELL BIOLOGY PI SHANGHAI PA SIBS, CAS, 319 YUEYANG ROAD, SHANGHAI, 200031, PEOPLES R CHINA SN 1001-0602 EI 1748-7838 J9 CELL RES JI Cell Res. PD AUG PY 2016 VL 26 IS 8 BP 901 EP 913 DI 10.1038/cr.2016.88 PG 13 WC Cell Biology SC Cell Biology GA DS6WN UT WOS:000380923900008 PM 27444870 ER PT J AU Gupta, V Duarte, CA AF Gupta, Varun Duarte, C. Armando TI On the enrichment zone size for optimal convergence rate of the Generalized/Extended Finite Element Method SO COMPUTERS & MATHEMATICS WITH APPLICATIONS LA English DT Article DE GFEM; XFEM; Fracture mechanics; Cracks; Singularity ID CRACK-GROWTH; UNITY METHOD; PARTICLE-PARTITION; FEM; PROPAGATION; MECHANICS; SGFEM AB Singular enrichment functions are broadly used in Generalized or Extended Finite Element Methods (GFEM/XFEM) for linear elastic fracture mechanics problems. These functions are used at finite element nodes within an enrichment zone around the crack tip front in 2- and 3-D problems, respectively. Small zones lead to suboptimal convergence rate of the method while large ones lead to ill-conditioning of the system of equations and to a large number of degrees of freedom. This paper, presents an a priori estimate for the minimum size of the enrichment zone required for optimal convergence rate of the GFEM/XFEM. The estimate shows that the minimum size of the enrichment zone for optimal convergence rate depends on the element size and polynomial order of the GFEM/XFEM shape functions. Detailed numerical verification of these findings is also presented. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Gupta, Varun] Pacific Northwest Natl Lab, Adv Comp Math & Data Div, 902 Battelle Blvd,POB 999,MSIN K7-90, Richland, WA 99352 USA. [Duarte, C. Armando] Univ Illinois, Dept Civil & Environm Engn, Newmark Lab, 205 North Mathews Ave, Urbana, IL 61801 USA. RP Duarte, CA (reprint author), Univ Illinois, Dept Civil & Environm Engn, Newmark Lab, 205 North Mathews Ave, Urbana, IL 61801 USA. EM caduarte@illinois.edu OI Duarte, Carlos Armando/0000-0002-0048-0679; Gupta, Varun/0000-0002-4322-2143 FU US Air Force Office of Scientific Research [FA9550-12-1-0379] FX We thank Professor Hae-Soo Oh of the Department of Mathematics and Statistics, University of North Carolina at Charlotte, for fruitful discussions on certain aspects of this paper. The support from the US Air Force Office of Scientific Research under contract number FA9550-12-1-0379 is also gratefully acknowledged. NR 36 TC 0 Z9 0 U1 2 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0898-1221 EI 1873-7668 J9 COMPUT MATH APPL JI Comput. Math. Appl. PD AUG PY 2016 VL 72 IS 3 BP 481 EP 493 DI 10.1016/j.camwa.2016.04.043 PG 13 WC Mathematics, Applied SC Mathematics GA DS2IL UT WOS:000380593100004 ER PT J AU Jansson, JK AF Jansson, Janet K. TI Spotlight on ... Janet K. Jansson SO FEMS MICROBIOLOGY LETTERS LA English DT Editorial Material DE Microbiology career; Omics; Microbiome; Soil microbiology; work-life balance; WiStem C1 [Jansson, Janet K.] Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, 902 Battelle Blvd, Richland, WA 99352 USA. RP Jansson, JK (reprint author), Pacific Northwest Natl Lab, Earth & Biol Sci Directorate, 902 Battelle Blvd, Richland, WA 99352 USA. EM janet.jansson@pnnl.gov NR 0 TC 1 Z9 1 U1 2 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0378-1097 EI 1574-6968 J9 FEMS MICROBIOL LETT JI FEMS Microbiol. Lett. PD AUG PY 2016 VL 363 IS 15 AR fnw135 DI 10.1093/femsle/fnw135 PG 2 WC Microbiology SC Microbiology GA DS4PE UT WOS:000380762200002 ER PT J AU Wang, ZW Wu, M Cai, ZH Chen, S Baker, I AF Wang, Zhangwei Wu, Margaret Cai, Zhonghou Chen, Si Baker, Ian TI Effect of Ti content on the microstructure and mechanical behavior of (Fe36Ni18Mn33Al13)(100-x)Ti-x high entropy alloys SO INTERMETALLICS LA English DT Article DE High-entropy alloys; Microstructure; Mechanical properties; Hall-Petch-type relationship ID FE30NI20MN35AL15; DEPENDENCE; FRACTURE; DESIGN; SYSTEM; FLOW AB The microstructure and mechanical properties studies of a series of two-phase f.c.c./B2 (ordered b.c.c.) lamellar-structured, high entropy alloys (HEA) Fe36Ni18Mn33Al13Tix. with x up to 6 at. % Ti have been investigated. X-ray microanalysis in a TEM showed that the Ti resided mostly in the B2 phase. The lamellar spacing decreased significantly with increasing Ti content from 1.56 mu m for the undoped alloy to 155 nm with an addition of 4 at. % Ti, leading to a sharp increase in room-temperature yield strength, sigma(y), from 270 MPa to 953 MPa, but with a concomitant decrease in ductility from 22% elongation to 2.3%. Annealing at 1173 K for 20 h greatly increased the lamellar spacing of Fe36Ni18Mn33Al13Ti4 to 577 nm, producing a corresponding decrease in sigma(y) to 511 MPa. The yield strengths of all the doped alloys decreased significantly when tensile tested at 973 K with a concomitant increase in ductility due to softening of the B2 phase. The fracture mode changed from cleavage at room temperature to a ductile dimple-type rupture at 973 K. The results are discussed in terms of the Hall-Petch-type relationship. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Wang, Zhangwei; Wu, Margaret; Baker, Ian] Dartmouth Coll, Thayer Sch Engn, 14 Engn Dr, Hanover, NH 03755 USA. [Cai, Zhonghou; Chen, Si] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Baker, I (reprint author), Dartmouth Coll, Thayer Sch Engn, 14 Engn Dr, Hanover, NH 03755 USA. EM Ian.Baker@dartmouth.edu FU Dartmouth College by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences [DE-FG02-07ER46392]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357] FX This research was supported at Dartmouth College by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences Grant DE-FG02-07ER46392. 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. The views and conclusions contained herein are those of the authors and should not be interpreted as necessarily representing official policies, either expressed or implied of the DOE or the U.S. Government. NR 33 TC 1 Z9 1 U1 10 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0966-9795 EI 1879-0216 J9 INTERMETALLICS JI Intermetallics PD AUG PY 2016 VL 75 BP 79 EP 87 DI 10.1016/j.intermet.2016.06.001 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA DS2PX UT WOS:000380627100012 ER PT J AU Refaat, T West, D El Achy, S Parimi, V May, J Xin, L Harris, KR Liu, W Wanzer, MB Finney, L Maxey, E Vogt, S Omary, RA Procissi, D Larson, AC Paunesku, T Woloschak, GE AF Refaat, Tamer West, Derek El Achy, Samar Parimi, Vamsi May, Jasmine Xin, Lun Harris, Kathleen R. Liu, William Wanzer, Michael Beau Finney, Lydia Maxey, Evan Vogt, Stefan Omary, Reed A. Procissi, Daniele Larson, Andrew C. Paunesku, Tatjana Woloschak, Gayle E. TI Distribution of Iron Oxide Core-Titanium Dioxide Shell Nanoparticles in VX2 Tumor Bearing Rabbits Introduced by Two Different Delivery Modalities SO NANOMATERIALS LA English DT Article DE transarterial intra-catheter delivery; core-shell nanoparticle; rabbit VX2 liver cancer model ID LIVER-TUMORS; FLUORESCENCE MICROSCOPY; CANCER-CELLS; MRI; NANOCOMPOSITES; HYBRIDIZATION; EMBOLIZATION; PEPTIDE; MODEL AB This work compares intravenous (IV) versus fluoroscopy-guided transarterial intra-catheter (IC) delivery of iron oxide core-titanium dioxide shell nanoparticles (NPs) in vivo in VX2 model of liver cancer in rabbits. NPs coated with glucose and decorated with a peptide sequence from cortactin were administered to animals with developed VX2 liver cancer. Two hours after NPs delivery tumors, normal liver, kidney, lung and spleen tissues were harvested and used for a series on histological and elemental analysis tests. Quantification of NPs in tissues was done both by bulk inductively coupled plasma mass spectrometry (ICP-MS) analysis and by hard X-ray fluorescence microscopy. Both IV and IC NPs injection are feasible modalities for delivering NPs to VX2 liver tumors with comparable tumor accumulation. It is possible that this is an outcome of the fact that VX2 tumors are highly vascularized and hemorrhagic, and therefore enhanced permeability and retention (EPR) plays the most significant role in accumulation of nanoparticles in tumor tissue. It is, however, interesting to note that IV delivery led to increased sequestration of NPs by spleen and normal liver tissue, while IC delivery lead to more NP positive Kupffer cells. This difference is most likely a direct outcome of blood flow dynamics. Armed with this knowledge about nanoparticle delivery, we plan to test them as radiosensitizers in the future. C1 [Refaat, Tamer; West, Derek; Parimi, Vamsi; May, Jasmine; Xin, Lun; Harris, Kathleen R.; Liu, William; Wanzer, Michael Beau; Procissi, Daniele; Larson, Andrew C.; Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Robert H Lurie Comprehens Canc Ctr, Dept Radiat Oncol,Dept Radiol, Chicago, IL 60611 USA. [Refaat, Tamer; West, Derek; Parimi, Vamsi; May, Jasmine; Xin, Lun; Harris, Kathleen R.; Liu, William; Wanzer, Michael Beau; Procissi, Daniele; Larson, Andrew C.; Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Robert H Lurie Comprehens Canc Ctr, Pathol Core Facil, Chicago, IL 60611 USA. [Refaat, Tamer; El Achy, Samar] Univ Alexandria, Fac Med, Dept Clin Oncol, Alexandria 21131, Egypt. [Refaat, Tamer; El Achy, Samar] Univ Alexandria, Fac Med, Dept Pathol, Alexandria 21131, Egypt. [Finney, Lydia; Maxey, Evan; Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Omary, Reed A.] Vanderbilt Univ, Sch Med, Dept Radiol & Radiol Sci, Nashville, TN 37232 USA. RP Woloschak, GE (reprint author), Northwestern Univ, Feinberg Sch Med, Robert H Lurie Comprehens Canc Ctr, Dept Radiat Oncol,Dept Radiol, Chicago, IL 60611 USA.; Woloschak, GE (reprint author), Northwestern Univ, Feinberg Sch Med, Robert H Lurie Comprehens Canc Ctr, Pathol Core Facil, Chicago, IL 60611 USA. EM tamerabdelrhman2012@u.northwestern.edu; derek.west@northwestern.edu; samarelachy@yahoo.com; v-parini@northwestern.edu; jasmine.may@northwestern.edu; LunXin2015@u.northwestern.edu; k-r-harris@northwestern.edu; will.c.liu@gmail.com; m-wanzer@northwestern.edu; lfinney@aps.anl.gov; emaxey@aps.anl.gov; svogt@aps.anl.gov; reed.omary@vanderbilt.edu; d-procissi@northwestern.edu; a-larson@northwestern.edu; tpaunesku@northwestern.edu; g-woloschak@northwestern.edu RI Paunesku, Tatjana/A-3488-2017; Woloschak, Gayle/A-3799-2017 OI Paunesku, Tatjana/0000-0001-8698-2938; Woloschak, Gayle/0000-0001-9209-8954 FU NIH grants [RO1EB002100, U54CA151880, R25CA132822]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; Northwestern University; U.S. Army Research Office, U.S. Army Medical Research and Materiel Command FX This study was supported by NIH grants RO1EB002100 and U54CA151880 and training grant R25CA132822. Work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Contract No. DE-AC02-06CH11357. Peptide synthesis was performed in the Analytical BioNanoTechnology Equipment Core of the Simpson Querrey Institute at Northwestern University. The U.S. Army Research Office, the U.S. Army Medical Research and Materiel Command, and Northwestern University provided funding to develop this facility. Immunohistochemistry, H&E staining and Nanozoomer microscopy were done by Northwestern University Pathology core http://cancer.northwestern.edu/pathcore/index.cfm. NR 27 TC 0 Z9 0 U1 10 U2 13 PU MDPI AG PI BASEL PA ST ALBAN-ANLAGE 66, CH-4052 BASEL, SWITZERLAND SN 2079-4991 J9 NANOMATERIALS-BASEL JI Nanomaterials PD AUG PY 2016 VL 6 IS 8 AR UNSP 143 DI 10.3390/nano6080143 PG 18 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA DS4RU UT WOS:000380769600007 ER PT J AU Huang, LL Khusnutdinova, A Nocek, B Brown, G Xu, XH Cui, H Petit, P Flick, R Zallot, R Balmant, K Ziemak, MJ Shanklin, J de Crecy-Lagard, V Fiehn, O Gregory, JF Joachimiak, A Savchenko, A Yakunin, AF Hanson, AD AF Huang, Lili Khusnutdinova, Anna Nocek, Boguslaw Brown, Greg Xu, Xiaohui Cui, Hong Petit, Pierre Flick, Robert Zallot, Remi Balmant, Kelly Ziemak, Michael J. Shanklin, John de Crecy-Lagard, Valerie Fiehn, Oliver Gregory, Jesse F., III Joachimiak, Andrzej Savchenko, Alexei Yakunin, Alexander F. Hanson, Andrew D. TI A family of metal-dependent phosphatases implicated in metabolite damage-control SO Nature Chemical Biology LA English DT Article ID ACYL CARRIER PROTEIN; PANTOTHENATE KINASE; COENZYME-A; ESCHERICHIA-COLI; SUBSTRATE-SPECIFICITY; PYROCOCCUS-FURIOSUS; DIRECTED-OVERFLOW; DNA-DAMAGE; ENZYME; BIOSYNTHESIS AB DUF89 family proteins occur widely in both prokaryotes and eukaryotes, but their functions are unknown. Here we define three DUF89 subfamilies (I, II, and III), with subfamily II being split into stand-alone proteins and proteins fused to pantothenate kinase (PanK). We demonstrated that DUF89 proteins have metal-dependent phosphatase activity against reactive phosphoesters or their damaged forms, notably sugar phosphates (subfamilies II and III), phosphopantetheine and its S-sulfonate or sulfonate (subfamily II-PanK fusions), and nucleotides (subfamily I). Genetic and comparative genomic data strongly associated DUF89 genes with phosphoester metabolism. The crystal structure of the yeast (Saccharomyces cerevisiae) subfamily III protein YMR027W revealed a novel phosphatase active site with fructose 6-phosphate and Mg2+ bound near conserved signature residues Asp254 and Asn255 that are critical for activity. These findings indicate that DUF89 proteins are previously unrecognized hydrolases whose characteristic in vivo function is to limit potentially harmful buildups of normal or damaged phosphometabolites. C1 [Huang, Lili; Gregory, Jesse F., III] Univ Florida, Dept Food Sci & Human Nutr, Gainesville, FL USA. [Khusnutdinova, Anna; Brown, Greg; Xu, Xiaohui; Cui, Hong; Petit, Pierre; Flick, Robert; Savchenko, Alexei; Yakunin, Alexander F.] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON, Canada. [Nocek, Boguslaw; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom & Struct Biol Ctr, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. [Zallot, Remi; de Crecy-Lagard, Valerie] Univ Florida, Dept Microbiol & Cell Sci, Gainesville, FL 32611 USA. [Balmant, Kelly] Univ Florida, Plant Mol & Cellular Biol Program, Gainesville, FL USA. [Ziemak, Michael J.; Hanson, Andrew D.] Univ Florida, Dept Hort Sci, Gainesville, FL 32611 USA. [Shanklin, John] Brookhaven Natl Lab, Biol Environm & Climate Sci Dept, Upton, NY 11973 USA. [Fiehn, Oliver] Univ Calif Davis, Metabol Core, UC Davis Genome Ctr, Davis, CA 95616 USA. RP Yakunin, AF (reprint author), Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON, Canada.; Hanson, AD (reprint author), Univ Florida, Dept Hort Sci, Gainesville, FL 32611 USA. EM a.iakounine@utoronto.ca; adha@ufl.edu OI Yakunin, Alexander/0000-0003-0813-6490; ZALLOT, Remi/0000-0002-7317-1578 FU US National Science Foundation [MCB-1153413, IOS-1025398, MCB-1153491]; Genome Canada; Ontario Genomics Institute [2009 OGI ABC 1405]; Ontario Research Fund [ORF-GL2-01-004]; NSERC Strategic Network grant IBN; National Institutes of Health [GM094585]; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-06CH11357]; C.V. Griffin Sr. Foundation; US Department of Energy, Office of Basic Energy Sciences [DOE KC0304000] FX This work was supported by US National Science Foundation grants MCB-1153413 and IOS-1025398 (to A.D.H.) and MCB-1153491 (to O.F.); by Genome Canada, the Ontario Genomics Institute (2009 OGI ABC 1405), the Ontario Research Fund (ORF-GL2-01-004), and NSERC Strategic Network grant IBN (to A.F.Y.); by National Institutes of Health grant GM094585 and the US Department of Energy, Office of Biological and Environmental Research, contract DE-AC02-06CH11357 (to A.J.); and by the C.V. Griffin Sr. Foundation (to A.D.H.). J.S. was supported by US Department of Energy, Office of Basic Energy Sciences, grant DOE KC0304000. We thank J.E. Cronan and H.W. Park for enzymes, K. Kodama of Ikeda Corp. of America for pantetheine-S-sulfonate, S. Gerdes for bioinformatic help, E. van Schaftingen for advice on metabolism, and J.D. Rabinowitz for pilot metabolomics. NR 59 TC 3 Z9 3 U1 10 U2 15 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1552-4450 EI 1552-4469 J9 NAT CHEM BIOL JI Nat. Chem. Biol. PD AUG PY 2016 VL 12 IS 8 BP 621 EP + DI 10.1038/NCHEMBIO.2108 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DS2UW UT WOS:000380640100009 PM 27322068 ER PT J AU Cho, S Yun, C Tappertzhofen, S Kursumovic, A Lee, S Lu, P Jia, QX Fan, M Jian, J Wang, HY Hofmann, S MacManus-Driscoll, JL AF Cho, Seungho Yun, Chao Tappertzhofen, Stefan Kursumovic, Ahmed Lee, Shinbuhm Lu, Ping Jia, Quanxi Fan, Meng Jian, Jie Wang, Haiyan Hofmann, Stephan MacManus-Driscoll, Judith L. TI Self-assembled oxide films with tailored nanoscale ionic and electronic channels for controlled resistive switching SO Nature Communications LA English DT Article ID METAL-INSULATOR-TRANSITION; NANOCOMPOSITE THIN-FILMS; MECHANISM; MEMRISTOR; MEMORIES; CERIA; HETEROSTRUCTURES; CONDUCTIVITY; INTEGRATION; RESISTANCE AB Resistive switches are non-volatile memory cells based on nano-ionic redox processes that offer energy efficient device architectures and open pathways to neuromorphics and cognitive computing. However, channel formation typically requires an irreversible, not well controlled electroforming process, giving difficulty to independently control ionic and electronic properties. The device performance is also limited by the incomplete understanding of the underlying mechanisms. Here, we report a novel memristive model material system based on self-assembled Sm-doped CeO2 and SrTiO3 films that allow the separate tailoring of nanoscale ionic and electronic channels at high density (similar to 10(12) inch(-2)). We systematically show that these devices allow precise engineering of the resistance states, thus enabling large on-off ratios and high reproducibility. The tunable structure presents an ideal platform to explore ionic and electronic mechanisms and we expect a wide potential impact also on other nascent technologies, ranging from ionic gating to micro-solid oxide fuel cells and neuromorphics. C1 [Cho, Seungho; Yun, Chao; Kursumovic, Ahmed; Lee, Shinbuhm; MacManus-Driscoll, Judith L.] Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England. [Tappertzhofen, Stefan; Hofmann, Stephan] Univ Cambridge, Dept Engn, 9 JJ Thomson Ave, Cambridge CB3 0FA, England. [Lu, Ping] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Jia, Quanxi] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Fan, Meng; Jian, Jie; Wang, Haiyan] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Wang, Haiyan] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. RP MacManus-Driscoll, JL (reprint author), Univ Cambridge, Dept Mat Sci & Met, 27 Charles Babbage Rd, Cambridge CB3 0FS, England. EM jld35@cam.ac.uk RI Hofmann, Stephan/D-3906-2012; LEE, SHINBUHM/A-9494-2011; Cho, Seungho/B-5344-2011 OI Hofmann, Stephan/0000-0001-6375-1459; LEE, SHINBUHM/0000-0002-4907-7362; Cho, Seungho/0000-0001-7926-5674 FU European Research Council (ERC) [ERC-2009-AdG-247276-NOVOX]; Cambridge Commonwealth, European & International Trust; ERC [279342]; Engineering and Physical Sciences Research Council (EPSRC) [EP/P005152/1]; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; US Department of Energy through the LDRD program; US National Science Foundation [DMR-1401266, DMR-1643911] FX This work was supported by the European Research Council (ERC) (Advanced Investigator grant ERC-2009-AdG-247276-NOVOX) and the Cambridge Commonwealth, European & International Trust. We further acknowledge funding from ERC grant InsituNANO, 279342, (S.T. and S.H.) and the Engineering and Physical Sciences Research Council (EPSRC), EP/P005152/1 (S.H.). 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 work at Los Alamos was supported by the US Department of Energy through the LDRD program and performed, in part, at the Center for Integrated Nanotechnologies (CINT), a US Department of Energy, Office of Basic Energy Sciences user facility. M.F., J.J. and H.W. acknowledge the support from the US National Science Foundation, DMR-1401266 (Texas A&M University) and DMR-1643911 (Purdue University). NR 54 TC 2 Z9 2 U1 66 U2 112 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 AUG PY 2016 VL 7 AR 12373 DI 10.1038/ncomms12373 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS5ZB UT WOS:000380860400001 PM 27491392 ER PT J AU Yang, MJ Zhang, TY Schulz, P Li, Z Li, G Kim, DH Guo, NJ Berry, JJ Zhu, K Zhao, YX AF Yang, Mengjin Zhang, Taiyang Schulz, Philip Li, Zhen Li, Ge Kim, Dong Hoe Guo, Nanjie Berry, Joseph J. Zhu, Kai Zhao, Yixin TI Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening SO Nature Communications LA English DT Article ID PEROVSKITE THIN-FILM; ORGANOMETAL HALIDE PEROVSKITES; LEAD(II) IODIDE; DEPOSITION; PERFORMANCE; CRYSTALLIZATION; CONVERSION; STABILITY; GROWTH; LAYERS AB Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency photovoltaic technology. Structural and electro-optical properties of the perovskite absorber layer are most critical to device operation characteristics. Here we present a facile fabrication of high-efficiency PSCs based on compact, large-grain, pinhole-free CH3NH3PbI3-xBrx (MAPbI(3-x)Br(x)) thin films with high reproducibility. A simple methylammonium bromide (MABr) treatment via spin-coating with a proper MABr concentration converts MAPbI(3) thin films with different initial film qualities (for example, grain size and pinholes) to high-quality MAPbI(3-x)Br(x) thin films following an Ostwald ripening process, which is strongly affected by MABr concentration and is ineffective when replacing MABr with methylammonium iodide. A higher MABr concentration enhances I-Br anion exchange reaction, yielding poorer device performance. This MABr-selective Ostwald ripening process improves cell efficiency but also enhances device stability and thus represents a simple, promising strategy for further improving PSC performance with higher reproducibility and reliability. C1 [Yang, Mengjin; Schulz, Philip; Li, Zhen; Kim, Dong Hoe; Berry, Joseph J.; Zhu, Kai] Natl Renewable Energy Lab, Chem & Nanosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Zhang, Taiyang; Li, Ge; Guo, Nanjie; Zhao, Yixin] Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, 800 Dongchuan Rd, Shanghai 200240, Peoples R China. RP Zhu, K (reprint author), Natl Renewable Energy Lab, Chem & Nanosci Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA.; Zhao, YX (reprint author), Shanghai Jiao Tong Univ, Sch Environm Sci & Engn, 800 Dongchuan Rd, Shanghai 200240, Peoples R China. EM Kai.Zhu@nrel.gov; yixin.zhao@sjtu.edu.cn RI Zhao, Yixin/D-2949-2012; Zhang, Taiyang/C-7682-2017; OI Zhang, Taiyang/0000-0003-4012-2785; Yang, Mengjin/0000-0003-2019-4298 FU U.S. Department of Energy [DE-AC36-08-GO28308]; hybrid PSC programme of the National Center for Photovoltaics - U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Solar Energy Technologies Office; NSFC [51372151, 21303103] FX The work at the National Renewable Energy Laboratory is supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308. We acknowledge the support by the hybrid PSC programme of the National Center for Photovoltaics funded by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Solar Energy Technologies Office. Y.Z. acknowledges the support of the NSFC (Grant 51372151 and 21303103). NR 38 TC 9 Z9 9 U1 61 U2 132 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 AUG PY 2016 VL 7 AR 12305 DI 10.1038/ncomms12305 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS5VH UT WOS:000380850600001 PM 27477212 ER PT J AU Zhang, Y Kersell, H Stefak, R Echeverria, J Iancu, V Perera, UGE Li, Y Deshpande, A Braun, KF Joachim, C Rapenne, G Hla, SW AF Zhang, Y. Kersell, H. Stefak, R. Echeverria, J. Iancu, V. Perera, U. G. E. Li, Y. Deshpande, A. Braun, K. -F. Joachim, C. Rapenne, G. Hla, S. -W. TI Simultaneous and coordinated rotational switching of all molecular rotors in a network SO Nature Nanotechnology LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; SINGLE-MOLECULE; METAL-SURFACE; ATOMIC-SCALE; MANIPULATION; COMPLEXES; MOTOR; PHTHALOCYANINE; AU(111); STATE AB A range of artificial molecular systems has been created that can exhibit controlled linear and rotational motion. In the further development of such systems, a key step is the addition of communication between molecules in a network. Here, we show that a two-dimensional array of dipolar molecular rotors can undergo simultaneous rotational switching when applying an electric field from the tip of a scanning tunnelling microscope. Several hundred rotors made from porphyrin-based double-decker complexes can be simultaneously rotated when in a hexagonal rotor network on a Cu(111) surface by applying biases above 1 V at 80 K. The phenomenon is observed only in a hexagonal rotor network due to the degeneracy of the ground-state dipole rotational energy barrier of the system. Defects are essential to increase electric torque on the rotor network and to stabilize the switched rotor domains. At low biases and low initial rotator angles, slight reorientations of individual rotors can occur, resulting in the rotator arms pointing in different directions. Analysis reveals that the rotator arm directions are not random, but are coordinated to minimize energy via crosstalk among the rotors through dipolar interactions. C1 [Zhang, Y.; Kersell, H.; Iancu, V.; Perera, U. G. E.; Li, Y.; Deshpande, A.; Braun, K. -F.; Hla, S. -W.] Ohio Univ, Dept Phys & Astron, Nanoscale & Quantum Phenomena Inst, Athens, OH 45701 USA. [Stefak, R.; Echeverria, J.; Joachim, C.; Rapenne, G.] CNRS, CEMES, 29 Rue J Marvig, F-31055 Toulouse, France. [Rapenne, G.] Univ Toulouse, UPS, 118 Route Narbonne, F-31062 Toulouse, France. [Hla, S. -W.] Argonne Natl Lab, Ctr Nanoscale Mat, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Hla, SW (reprint author), Ohio Univ, Dept Phys & Astron, Nanoscale & Quantum Phenomena Inst, Athens, OH 45701 USA.; Hla, SW (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Nanosci & Technol Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM hla@ohio.edu RI Iancu, Violeta/B-7657-2008; Echeverria, Jorge/C-2187-2013 OI Iancu, Violeta/0000-0003-1146-2959; Echeverria, Jorge/0000-0002-8571-0372 FU United State Department of Energy, Basic Energy Sciences [DE-FG02-02ER46012]; ANR P3N (AUTOMOL project) [ANR 09-NANO-040] FX This work (all the STM experiments as well as analytical and DFT calculations) is financially supported by the United State Department of Energy, Basic Energy Sciences grant no. DE-FG02-02ER46012. R.S., J.E., C.J. and G.R. acknowledge support from ANR P3N (AUTOMOL project no. ANR 09-NANO-040) for the chemical synthesis of molecules and STM image calculations. The authors acknowledge ZYVEX for providing the molecules studied in the initial part of the project. S.W.H. and K.F.B. acknowledge the use of the Ohio Supercomputing Centre (PHS0275). NR 36 TC 1 Z9 1 U1 29 U2 43 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 EI 1748-3395 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD AUG PY 2016 VL 11 IS 8 BP 706 EP + DI 10.1038/NNANO.2016.69 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA DS8BS UT WOS:000381008300015 PM 27159740 ER PT J AU Yilmaz, N Vigil, FM Tolendino, G Gill, W Donaldson, AB AF Yilmaz, Nadir Vigil, Francisco M. Tolendino, Greg Gill, Walt Donaldson, A. Burl TI Effect of oxide layer formation on deformation of aluminum alloys under fire conditions SO PROCEEDINGS OF THE INSTITUTION OF MECHANICAL ENGINEERS PART L-JOURNAL OF MATERIALS-DESIGN AND APPLICATIONS LA English DT Article DE Aluminum oxide; skin strength; deformation; creep ID MOLTEN ALUMINUM; STRENGTH; MODEL AB The purpose of this paper is to investigate the structural behavior of aluminum alloys used in the aerospace industry when exposed to conditions similar to those of an accident scenario, such as a fuel fire. This study focuses on the role that the aluminum oxide layer plays in the deformation and the strength of the alloy above melting temperature. To replicate some of the thermal and atmospheric conditions that the alloys might experience in an accident scenario, aluminum rod specimens were subjected to temperatures near to or above their melting temperature in air, nitrogen, and vacuum environments. The characteristics of their deformation, such as geometry and rate of deformation, were observed. Tests were conducted by suspending aluminum rods vertically from an enclosure. This type of experiment was performed in two different environments: air and nitrogen. The change in environments allowed the effects of the oxide layer on the material strength to be analyzed by inhibiting the growth of the oxide layer. Observations were reported from imaging taken during the experiment showing creep behavior of aluminum alloys at elevated temperatures and time to failure. In addition, an example of tensile load-displacement data obtained in air and vacuum was reported to understand the effect of oxide layer on aluminum deformation and strength. C1 [Yilmaz, Nadir; Vigil, Francisco M.] New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87801 USA. [Tolendino, Greg] New Mexico State Univ, Dept Mech Engn, Las Cruces, NM 88003 USA. [Gill, Walt; Donaldson, A. Burl] Sandia Natl Labs, Fire Sci & Technol, POB 5800, Albuquerque, NM 87185 USA. RP Yilmaz, N (reprint author), New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87801 USA. EM yilmaznadir@yahoo.com FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 9 TC 0 Z9 0 U1 0 U2 0 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1464-4207 EI 2041-3076 J9 P I MECH ENG L-J MAT JI Proc. Inst. Mech. Eng. Pt. L-J. Mater.-Design Appl. PD AUG PY 2016 VL 230 IS 4 BP 879 EP 887 DI 10.1177/1464420715587023 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA DS1EI UT WOS:000380338200005 ER PT J AU Guo, Z Zweibaum, N Shao, M Huddar, LR Peterson, PP Qiu, S AF Guo, Z. Zweibaum, N. Shao, M. Huddar, L. R. Peterson, P. P. Qiu, S. TI Development of the FHR advanced natural circulation analysis code and application to FHR safety analysis SO PROGRESS IN NUCLEAR ENERGY LA English DT Article DE FHR; Natural circulation; Code methodology ID HEAT-TRANSFER; SALT; REACTOR AB The University of California, Berkeley (UCB) is performing thermal hydraulics safety analysis to develop the technical basis for design and licensing of fluoride-salt-cooled, high-temperature reactors (FHRs). FHR designs investigated by UCB use natural circulation for emergency, passive decay heat removal when normal decay heat removal systems fail. The FHR advanced natural circulation analysis (FANCY) code has been developed for assessment of passive decay heat removal capability and safety analysis of these innovative system designs. The FANCY code uses a one-dimensional, semi-implicit scheme to solve for pressure-linked mass, momentum and energy conservation equations. Graph theory is used to automatically generate a staggered mesh for complicated pipe network systems. Heat structure models have been implemented for three types of boundary conditions (Dirichlet, Neumann and Robin boundary conditions). Heat structures can be composed of several layers of different materials, and are used for simulation of heat structure temperature distribution and heat transfer rate. Control models are used to simulate sequences of events or trips of safety systems. A proportional-integral controller is also used to automatically make thermal hydraulic systems reach desired steady state conditions. A point kinetics model is used to model reactor kinetics behavior with temperature reactivity feedback. The underlying large sparse linear systems in these models are efficiently solved by using direct and iterative solvers provided by the SuperLU code on high performance machines. Input interfaces are designed to increase the flexibility of simulation for complicated thermal hydraulic systems. This paper mainly focuses on the methodology used to develop the FANCY code, and safety analysis of the Mark 1 pebble-bed FHR under development at UCB is performed. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Guo, Z.; Qiu, S.] Xi An Jiao Tong Univ, Dept Nucl Sci & Technol, Xian 710049, Peoples R China. [Guo, Z.] North China Elect Power Univ, Sch Nucl Sci & Engn, Beijing 102206, Peoples R China. [Guo, Z.; Zweibaum, N.; Huddar, L. R.; Peterson, P. P.] Univ Calif Berkeley, Dept Nucl Engn, 4118 Etcheverry Hall, Berkeley, CA 94720 USA. [Shao, M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Qiu, S (reprint author), Xi An Jiao Tong Univ, Dept Nucl Sci & Technol, Xian 710049, Peoples R China. EM zpguo.xjtu@qq.com; szqiu@mail.xjtu.edu.cn FU National Natural Science Foundation of China (NSFC) [91326201]; China Scholarship Council (CSC); U.S. Department of Energy Office of Nuclear Energy's Nuclear Energy University Programs FX The National Natural Science Foundation of China (NSFC) (Grant No. 91326201), China Scholarship Council (CSC) and U.S. Department of Energy Office of Nuclear Energy's Nuclear Energy University Programs are gratefully for providing funding support for this work. The authors thank Xiaoye S. Li for helpful discussions. NR 26 TC 1 Z9 1 U1 2 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0149-1970 J9 PROG NUCL ENERG JI Prog. Nucl. Energy PD AUG PY 2016 VL 91 BP 56 EP 67 DI 10.1016/j.pnucene.2016.03.022 PG 12 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DS1YB UT WOS:000380420000007 ER PT J AU Pigni, MT Croft, S Gauld, IC AF Pigni, M. T. Croft, S. Gauld, I. C. TI Uncertainty quantification in (alpha,n) neutron source calculations for an oxide matrix SO PROGRESS IN NUCLEAR ENERGY LA English DT Article DE Nuclear data; R-matrix theory; Covariance data; Neutron source ID CROSS-SECTIONS AB We present a methodology to propagate nuclear data covariance information in neutron source calculations from (alpha,n) reactions. The approach is applied to estimate the uncertainty in the neutron generation rates for uranium oxide fuel types due to uncertainties on 1) (17,18) O(alpha,n) reaction cross-sections and 2) uranium and oxygen stopping power cross sections. The procedure to generate reaction cross section covariance information is based on the Bayesian fitting method implemented in the R-matrix SAMMY code. The evaluation methodology uses the Reich-Moore approximation to fit the (17,18) O(alpha,n) reaction cross-sections in order to derive a set of resonance parameters and a related covariance matrix that is then used to calculate the energy-dependent cross section covariance matrix. The stopping power cross sections and related covariance information for uranium and oxygen were obtained by the fit of stopping power data in the alpha-energy range of 1 keV up to 12 MeV. Cross section perturbation factors based on the covariance information relative to the evaluated (17,18) O(alpha,n) reaction cross sections, as well as uranium and oxygen stopping power cross sections, were used to generate a varied set of nuclear data libraries used in SOURCES4C and ORIGEN for inventory and source term calculations. The set of randomly perturbed output (alpha,n) source responses, provide the mean values and standard deviations of the calculated responses reflecting the uncertainties in nuclear data used in the calculations. The results and related uncertainties are compared with experiment thick target (alpha,n) yields for uranium oxide. Published by Elsevier Ltd. C1 [Pigni, M. T.; Croft, S.; Gauld, I. C.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Pigni, MT (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM pignimt@ornl.gov; crofts@ornl.gov; gauldi@ornl.gov OI Pigni, Marco/0000-0002-0553-5149 FU U.S. Department of Energy, National Nuclear Security Administration Office of Defense Nuclear Nonproliferation Research and Development FX The authors express their gratitude to Dr. Luiz C. Leal for triggering the methodology described in the paper and stimulating discussions in this project. This work was supported by the U.S. Department of Energy, National Nuclear Security Administration Office of Defense Nuclear Nonproliferation Research and Development. NR 18 TC 0 Z9 0 U1 3 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0149-1970 J9 PROG NUCL ENERG JI Prog. Nucl. Energy PD AUG PY 2016 VL 91 BP 147 EP 152 DI 10.1016/j.pnucene.2016.04.006 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DS1YB UT WOS:000380420000015 ER PT J AU Kanjanakijkasem, W Wang, HH Dominguez-Ontiveros, E Hassan, YA AF Kanjanakijkasem, Worasit Wang, Huhu Dominguez-Ontiveros, Elvis Hassan, Yassin A. TI Experimental and CFD studies of the bypass flow in a prismatic core of VHTR using a small-scale model SO PROGRESS IN NUCLEAR ENERGY LA English DT Article DE Bypass flow; Bypass gap; Coolant distribution; VHTR ID GAS-COOLED REACTOR; CROSS-FLOW; SEAL MECHANISM; SUPPORT BLOCKS; FUEL BLOCKS AB The bypass flow in a prismatic very high temperature reactor (VHTR) core is an important parameter in reactor design, which has not been well assessed in publications to date. To rectify this deficit and evaluate the bypass flow fraction in a VHTR core, experiments were conducted using a small-scale model for a portion of a prismatic core of VHTR with air as the working fluid. Bypass flow simulations were performed using STAR-CCM + software to validate the code by comparing basic physical quantities related to bypass flow to each other. Specifically the bypass flow fraction, pressure drop, coolant channel Reynolds number, and bypass gap Reynolds number were assessed. Three bypass gap widths, 2.7 mm, 4.4 mm and 6.1 mm, were tested, and two downstream flow conditions through prismatic blocks were employed to examine characteristics of the bypass flow. It was found that the bypass flow fraction measured could reach up to about 38% for the 6.1 mm gap when the flow meters were removed in this experiment. The pressure drop in the bypass gap was a strong function of the Reynolds number in the gap and the bypass gap size. CFD simulation results matched very well with experimental data except that the CFD results overestimated the bypass flow fraction for 2.7 mm case due to the fact that both laminar and turbulent flow existed in the narrowest gap. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Kanjanakijkasem, Worasit] Burapha Univ, Dept Mech Engn, 169 Long Hard Bangsaen Rd, Amphur Mueang 20131, Chonburi, Thailand. [Wang, Huhu] Exa Corp, 38777 Six Mile Rd Suite 210, Livonia, MI 48152 USA. [Dominguez-Ontiveros, Elvis] Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. [Hassan, Yassin A.] Texas A&M Univ, Dept Nucl Engn, 3133 TAMU, College Stn, TX 77843 USA. RP Wang, HH (reprint author), Exa Corp, 38777 Six Mile Rd Suite 210, Livonia, MI 48152 USA. EM worasit@buu.ac.th; huhu@exa.com; dominguezoee@ornl.gov; y-hassan@tamu.edu OI Dominguez-Ontiveros, Elvis/0000-0001-8329-8751 NR 22 TC 0 Z9 0 U1 5 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0149-1970 J9 PROG NUCL ENERG JI Prog. Nucl. Energy PD AUG PY 2016 VL 91 BP 223 EP 235 DI 10.1016/j.pnucene.2016.05.002 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DS1YB UT WOS:000380420000023 ER PT J AU Jiang, H Qu, J Lu, RY Wang, JAJ AF Jiang, Hao Qu, Jun Lu, Roger Y. Wang, Jy-An John TI Grid-to-rod flow-induced impact study for PWR fuel in reactor SO PROGRESS IN NUCLEAR ENERGY LA English DT Article DE PWR; Flow-induced impact; Grid-to-rod dynamic contact ID WEAR; BEHAVIOR AB Dynamic contact impact from hydraulic flow-induced fuel assembly vibration is the source for grid-to rod fretting in a pressurized water nuclear reactor (PWR). To support grid-to-rod fretting wear mitigation research, finite element analysis (FEA) was used to evaluate the hydraulic flow-induced impact intensity between the fuel rods and the spacer grids. Three-dimensional FEA models, with detailed geometries of the dimple and spring of the actual spacer grids along with fuel rods, were developed for flow impact simulation. The grid-to-rod dynamic impact simulation provided insights of the contact phenomena at grid-rod interface. It is an essential and effective way to evaluate contact forces and provide guidance for simulative bench fretting-impact tests. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Jiang, Hao; Qu, Jun; Wang, Jy-An John] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Lu, Roger Y.] Westinghouse Elect Co, 5801 Bluff Rd, Hopkins, SC 29061 USA. RP Jiang, H (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM jiangh@ornl.gov FU Consortium for Advanced Simulation of Light Water Reactors, an Energy Innovation Hub for Modeling and Simulation of Nuclear Reactors, U.S. Department of Energy FX This research was supported by the Consortium for Advanced Simulation of Light Water Reactors (http://www.casl.gov), an Energy Innovation Hub (http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors, U.S. Department of Energy. The authors would like to thank Dr. Austin Shaw for providing electronic scanned surface profile of spacer grid; and Edgar Lara-Curzio for reviewing this article. NR 21 TC 1 Z9 1 U1 5 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0149-1970 J9 PROG NUCL ENERG JI Prog. Nucl. Energy PD AUG PY 2016 VL 91 BP 355 EP 361 DI 10.1016/j.pnucene.2016.06.003 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DS1YB UT WOS:000380420000037 ER PT J AU Zou, L Zhao, HH Zhang, HB AF Zou, Ling Zhao, Haihua Zhang, Hongbin TI New analytical solutions to the two-phase water faucet problem SO PROGRESS IN NUCLEAR ENERGY LA English DT Article DE Two-phase flow; Water faucet problem; Analytical solutions; Numerical verification ID NEWTON-KRYLOV METHOD; FLOW PROBLEMS; SHALLOW-WATER; RESOLUTION; SCHEME; MODELS AB The one-dimensional water faucet problem is one of the classical benchmark problems originally proposed by Ransom to study the two-fluid two-phase flow model. With simplifications, such as massless gas phase and no wall and interfacial frictions, analytical solutions had been previously obtained for the transient liquid velocity and void fraction distribution. The water faucet problem and its analytical solutions have been widely used for code assessment, benchmark, and numerical verification. In this work, we present a new set of analytical solutions to the water faucet problem at the steady-state condition, with the gas-phase density's effect on pressure distribution considered. This new set of analytical solutions is used in a rigorous numerical verification process from which the anticipated second-order spatial accuracy is achieved for a second-order spatial discretization scheme. On the contrary, the same anticipated order of accuracy could not be obtained using the Ransom solutions as the reference. In addition, extended Ransom transient solutions for the gas-phase velocity and pressure are derived with the assumption of decoupled liquid and gas pressures. Numerical benchmark on the extended Ransom solutions is also presented. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Zou, Ling; Zhao, Haihua; Zhang, Hongbin] Idaho Natl Lab, POB 1625, 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 FU U.S. Department of Energy, under Department of Energy Idaho Operations Office [DE-AC07-05ID14517] FX This work is supported by the 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. NR 34 TC 1 Z9 1 U1 2 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0149-1970 J9 PROG NUCL ENERG JI Prog. Nucl. Energy PD AUG PY 2016 VL 91 BP 389 EP 398 DI 10.1016/j.pnucene.2016.05.013 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DS1YB UT WOS:000380420000040 ER PT J AU Mezher, M Garris, R Mansfield, LM Horsley, K Weinhardt, L Duncan, DA Blum, M Rosenberg, SG Bar, M Ramanathan, K Heske, C AF Mezher, Michelle Garris, Rebekah Mansfield, Lorelle M. Horsley, Kimberly Weinhardt, Lothar Duncan, Douglas A. Blum, Monika Rosenberg, Samantha G. Baer, Marcus Ramanathan, Kannan Heske, Clemens TI Electronic structure of the Zn(O,S)/Cu(In,Ga)Se-2 thin-film solar cell interface SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE chalcopyrite thin-film solar cell; band alignment; alternative buffer layers; Zn(O; S); X-ray spectroscopy; inverse photoemission ID CHEMICAL BATH DEPOSITION; BAND ALIGNMENT; JUNCTION FORMATION; ZINC-OXIDE; HETEROJUNCTION; IMPACT; GAP AB The electronic band alignment of the Zn(O,S)/Cu(In,Ga)Se-2 interface in high-efficiency thin-film solar cells was derived using X-ray photoelectron spectroscopy, ultra-violet photoelectron spectroscopy, and inverse photoemission spectroscopy. Similar to the CdS/Cu(In,Ga)Se-2 system, we find an essentially flat (small-spike) conduction band alignment (here: a conduction band offset of (0.09 +/- 0.20)eV), allowing for largely unimpeded electron transfer and forming a likely basis for the success of high-efficiency Zn(O,S)-based chalcopyrite devices. Furthermore, we find evidence for multiple bonding environments of Zn and O in the Zn(O,S) film, including ZnO, ZnS, Zn(OH)(2), and possibly ZnSe. Copyright (c) 2016 John Wiley & Sons, Ltd. C1 [Mezher, Michelle; Horsley, Kimberly; Weinhardt, Lothar; Duncan, Douglas A.; Blum, Monika; Rosenberg, Samantha G.; Baer, Marcus; Heske, Clemens] Univ Nevada, Dept Chem & Biochem, 4505 S Maryland Pkwy,Box 454003, Las Vegas, NV 89154 USA. [Garris, Rebekah; Mansfield, Lorelle M.; Ramanathan, Kannan] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Weinhardt, Lothar; Heske, Clemens] Karlsruhe Inst Technol, Inst Photon Sci & Synchrotron Radiat IPS, D-76344 Eggenstein Leopoldshafen, Germany. [Weinhardt, Lothar; Heske, Clemens] Karlsruhe Inst Technol, ANKA Synchrotron Radiat Facil, D-76344 Eggenstein Leopoldshafen, Germany. [Weinhardt, Lothar; Heske, Clemens] Karlsruhe Inst Technol, Inst Chem Technol & Polymer Chem, D-76128 Karlsruhe, Germany. [Baer, Marcus] Helmholtz Zentrum Berlin Mat & Energie GmbH, Renewable Energy, D-14109 Berlin, Germany. [Baer, Marcus] Brandenburg Tech Univ Cottbus Senftenberg, Inst Phys & Chem, D-03046 Cottbus, Germany. RP Mezher, M; Heske, C (reprint author), Univ Nevada, Dept Chem & Biochem, 4505 S Maryland Pkwy,Box 454003, Las Vegas, NV 89154 USA. EM mezherm@unlv.nevada.edu; heske@unlv.nevada.edu FU Department of Energy (DOE) through the F-PACE Partnership [ZEJ-2-22082-0.1]; Impuls- und Vernetzungsfonds of the Helmholtz Association [VH-NG-423] FX We gratefully acknowledge funding from the Department of Energy (DOE) through the F-PACE Partnership (subcontract No. ZEJ-2-22082-0.1). M. Bar additionally acknowledges funding by the Impuls- und Vernetzungsfonds of the Helmholtz Association (VH-NG-423). NR 37 TC 3 Z9 3 U1 16 U2 23 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1062-7995 EI 1099-159X J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD AUG PY 2016 VL 24 IS 8 BP 1142 EP 1148 DI 10.1002/pip.2764 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DR8RD UT WOS:000380164100012 ER PT J AU de Prado, ML AF de Prado, Marcos Lopez TI Algorithmic and High Frequency Trading SO QUANTITATIVE FINANCE LA English DT Book Review C1 [de Prado, Marcos Lopez] US DOE, Guggenheim Partners, Lawrence Berkeley Natl Lab, Washington, DC 20585 USA. RP de Prado, ML (reprint author), US DOE, Guggenheim Partners, Lawrence Berkeley Natl Lab, Washington, DC 20585 USA. NR 3 TC 0 Z9 0 U1 12 U2 13 PU ROUTLEDGE JOURNALS, TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1469-7688 EI 1469-7696 J9 QUANT FINANC JI Quant. Financ. PD AUG PY 2016 VL 16 IS 8 BP 1175 EP 1176 DI 10.1080/14697688.2016.1143619 PG 2 WC Business, Finance; Economics; Mathematics, Interdisciplinary Applications; Social Sciences, Mathematical Methods SC Business & Economics; Mathematics; Mathematical Methods In Social Sciences GA DR8QI UT WOS:000380162000002 ER PT J AU Lin, L Lu, JF AF Lin Lin Lu Jianfeng TI Decay estimates of discretized Green's functions for Schrodinger type operators SO SCIENCE CHINA-MATHEMATICS LA English DT Article; Proceedings Paper CT 8th International Congress on Industrial and Applied Mathematics (ICIAM) CY AUG 10-14, 2015 CL Beijing, PEOPLES R CHINA DE decay estimates; Green's function; Schrodinger operator; finite difference discretization; pseudo-spectral discretization ID APPROXIMATE INVERSE PRECONDITIONER; ELECTRONIC-STRUCTURE; BAND MATRICES; EIGENFUNCTIONS; EQUATIONS; DENSITY AB For a sparse non-singular matrix A, generally A (-1) is a dense matrix. However, for a class of matrices, A (-1) can be a matrix with off-diagonal decay properties, i.e., |A (ij) (-1)| decays fast to 0 with respect to the increase of a properly defined distance between i and j. Here we consider the off-diagonal decay properties of discretized Green's functions for Schrodinger type operators. We provide decay estimates for discretized Green's functions obtained from the finite difference discretization, and from a variant of the pseudo-spectral discretization. The asymptotic decay rate in our estimate is independent of the domain size and of the discretization parameter. We verify the decay estimate with numerical results for one-dimensional Schrodinger type operators. C1 [Lin Lin] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Lin Lin] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Lu Jianfeng] Duke Univ, Dept Math, Durham, NC 27708 USA. [Lu Jianfeng] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Lu Jianfeng] Duke Univ, Dept Chem, Durham, NC 27708 USA. RP Lin, L (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.; Lin, L (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM linlin@math.berkeley.edu; jianfeng@math.duke.edu OI Lu, Jianfeng/0000-0001-6255-5165 NR 22 TC 0 Z9 0 U1 1 U2 1 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1674-7283 EI 1869-1862 J9 SCI CHINA MATH JI Sci. China-Math. PD AUG PY 2016 VL 59 IS 8 BP 1561 EP 1578 DI 10.1007/s11425-016-0311-4 PG 18 WC Mathematics, Applied; Mathematics SC Mathematics GA DR9JE UT WOS:000380212100008 ER PT J AU Shao, MY Lin, L Yang, C Liu, F Da Jornada, FH Deslippe, J Louie, SG AF Shao MeiYue Lin Lin Yang Chao Liu Fang Da Jornada, Felipe H. Deslippe, Jack Louie, Steven G. TI Low rank approximation in G (0) W (0) calculations SO SCIENCE CHINA-MATHEMATICS LA English DT Article; Proceedings Paper CT 8th International Congress on Industrial and Applied Mathematics (ICIAM) CY AUG 10-14, 2015 CL Beijing, PEOPLES R CHINA DE density functional theory; G(0)W(0) approximation; Sternheimer equation; contour deformation; low rank approximation ID NONSYMMETRIC LINEAR-SYSTEMS; PERTURBATION-THEORY; QUASI-PARTICLE; SEMICONDUCTORS; SEQUENCES AB The single particle energies obtained in a Kohn-Sham density functional theory (DFT) calculation are generally known to be poor approximations to electron excitation energies that are measured in transport, tunneling and spectroscopic experiments such as photo-emission spectroscopy. The correction to these energies can be obtained from the poles of a single particle Green's function derived from a many-body perturbation theory. From a computational perspective, the accuracy and efficiency of such an approach depends on how a self energy term that properly accounts for dynamic screening of electrons is approximated. The G (0) W (0) approximation is a widely used technique in which the self energy is expressed as the convolution of a noninteracting Green's function (G (0)) and a screened Coulomb interaction (W (0)) in the frequency domain. The computational cost associated with such a convolution is high due to the high complexity of evaluating W (0) at multiple frequencies. In this paper, we discuss how the cost of G (0) W (0) calculation can be reduced by constructing a low rank approximation to the frequency dependent part of W (0). In particular, we examine the effect of such a low rank approximation on the accuracy of the G (0) W (0) approximation. We also discuss how the numerical convolution of G (0) and W (0) can be evaluated efficiently and accurately by using a contour deformation technique with an appropriate choice of the contour. C1 [Shao MeiYue; Lin Lin; Yang Chao] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Lin Lin] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Liu Fang] Cent Univ Finance & Econ, Sch Math & Stat, Beijing 100081, Peoples R China. [Da Jornada, Felipe H.; Louie, Steven G.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Da Jornada, Felipe H.; Louie, Steven G.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Deslippe, Jack] Lawrence Berkeley Natl Lab, NERSC, Berkeley, CA 94720 USA. RP Yang, C (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM myshao@lbl.gov; linlin@math.berkeley.edu; cyang@lbl.gov; fliu@cufe.edu.cn; jornada@berkeley.edu; jdeslippe@lbl.gov; sglouie@berkeley.edu NR 37 TC 0 Z9 0 U1 0 U2 0 PU SCIENCE PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 1674-7283 EI 1869-1862 J9 SCI CHINA MATH JI Sci. China-Math. PD AUG PY 2016 VL 59 IS 8 BP 1593 EP 1612 DI 10.1007/s11425-016-0296-x PG 20 WC Mathematics, Applied; Mathematics SC Mathematics GA DR9JE UT WOS:000380212100010 ER PT J AU Shen, TM Ye, LY Li, P AF Shen, Tengming Ye, Liyang Li, Pei TI Feasible voltage-tap based quench detection in a Ag/Bi-2212 coil enabled by fast 3D normal zone propagation SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article DE HTS magnets; Bi-2212; quench detection and protection ID HTS MAGNETS; PROTECTION AB Small insert solenoids have been built using a commercial Ag/Bi-2212 multifilamentary round wire, insulated with a new thin TiO2-polymer coating insulation (thickness of similar to 20 mu m versus similar to 100 mu m for a commonly used mullite braided sleeve insulation), and characterized in a background magnetic field up to 14 T at 4.2 K to explore the high-field performance and quench detection of Bi-2212 magnets. The coil has no visible leakage and no electrical shorts after reaction, and it carries 280 A mm(-2) in a background field of 14 T and generates an additional 1.7 T. A notable result is that, despite normal zones propagating slowly along the conductor, the hot spot temperature upon detection increases only from 40 K to 60 K when the resistive quench detection voltage threshold increases from 0.1 V to 1 V for all operating current density investigated, showing that quench detection using voltage taps is feasible for this coil. This is in strong contrast to a coil we have previously built to the same specifications but from wires insulated with mullite braided sleeve insulation, for which the hot spot temperature upon detection increases from similar to 80 K to similar to 140 K while increasing the detection voltage threshold from 0.1 V to 1 V, and thus for which quench detection using voltage taps presents significant risks, consistent with the common belief that the effectiveness of quench detection using voltage taps for superconducting magnets built using high-temperature superconductors is seriously compromised by their slow normal zone propagation. This striking difference is ascribed to the fast transverse quench propagation enabled by thin insulation and the improved thermal coupling between conductor turns. This work demonstrates that quench detection for high-temperature superconducting magnets highly depends on the design and construction of the coils such as the insulation materials used and this dependence should be factored into the overall magnet design. C1 [Shen, Tengming; Ye, Liyang; Li, Pei] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Shen, Tengming] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Shen, TM (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA.; Shen, TM (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM tshen@lbl.gov FU Early Career Award from the US Department of Energy, Office of High Energy Physics; US Department of Energy, Office of High Energy Physics, through the Fermi Research Alliance [DE-AC02-07CH11359]; US Department of Energy [DE-AC02-05CH11231] FX This work was supported by an Early Career Award from the US Department of Energy, Office of High Energy Physics. Fermilab was supported by the US Department of Energy, Office of High Energy Physics, through the Fermi Research Alliance (DE-AC02-07CH11359). LBNL was supported by the Director of the Office of Science, Office of High Energy Physics, US Department of Energy under Contract No. DE-AC02-05CH11231. We thank Daniel Assell, Gene Flanagan, Allen Rusy, and Daniele Turrioni for their help with the winding and cryogenic testing. NR 23 TC 2 Z9 2 U1 5 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 EI 1361-6668 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD AUG PY 2016 VL 29 IS 8 AR 08LT01 DI 10.1088/0953-2048/29/8/08LT01 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DS1RS UT WOS:000380375800001 ER PT J AU Babuska, TF Pitenis, AA Jones, MR Nation, BL Sawyer, WG Argibay, N AF Babuska, T. F. Pitenis, A. A. Jones, M. R. Nation, B. L. Sawyer, W. G. Argibay, N. TI Temperature-Dependent Friction and Wear Behavior of PTFE and MoS2 SO TRIBOLOGY LETTERS LA English DT Article DE Solid lubrication; Friction; Friction mechanisms; Wear; PTFE; Molybdenum disulfide; MoS2; Temperature; Cryogenic ID THERMALLY ACTIVATED FRICTION; POLYTETRAFLUOROETHYLENE PTFE; MOLYBDENUM-DISULFIDE; ALUMINA NANOCOMPOSITES; SPACE APPLICATIONS; COMPOSITES; COATINGS; LUBRICATION; MECHANISM; FILMS AB An investigation of the temperature-dependent friction behavior of PTFE, MoS2, and PTFE-on-MoS2 is presented. Friction behavior was measured while continuously varying contact temperature in the range -150 to 175 degrees C while sliding in dry nitrogen, as well as for self-mated PTFE immersed in liquid nitrogen. These results contrast with previous reports of high-friction transitions and plateaus for pure and composite MoS2 at temperatures below about -20 degrees C; instead, we have found persistently weak thermal behavior between 0 and -196 degrees C, providing new insight about the molecular mechanisms of macroscale friction. The temperature-dependent friction behavior characteristic of self-mated PTFE was found also for PTFE-on-MoS2 sliding contacts, suggesting that PTFE friction was defined by subsurface deformation mechanisms and internal friction even when sliding against a lamellar lubricant with extremely low friction coefficient (mu similar to 0.02). The various relaxation temperatures of PTFE were found in the temperature-dependent friction behavior, showing excellent agreement with reported values acquired using rheological techniques measuring energy dissipation through internal friction. Additionally, hysteresis in friction behavior suggests an increase in near-surface crystallinity upon exceeding the high-temperature relaxation, T-alpha similar to 116 degrees C. C1 [Babuska, T. F.; Nation, B. L.; Argibay, N.] Sandia Natl Labs, Mat Sci & Engn Ctr, Albuquerque, NM 87123 USA. [Pitenis, A. A.; Jones, M. R.; Sawyer, W. G.] Univ Florida, Dept Mech & Aerosp Engn, Gainesville, FL USA. RP Argibay, N (reprint author), Sandia Natl Labs, Mat Sci & Engn Ctr, Albuquerque, NM 87123 USA. EM nargiba@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank M. T. Dugger and S. V. Prasad for helpful conversations about the friction behavior of MoS2 in extreme environments, and Rand Garfield for sample preparation and assistance with fabrication of cryogenic flow cell. Sandia National Laboratories is a multiprogram 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. NR 29 TC 1 Z9 1 U1 17 U2 31 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1023-8883 EI 1573-2711 J9 TRIBOL LETT JI Tribol. Lett. PD AUG PY 2016 VL 63 IS 2 AR 15 DI 10.1007/s11249-016-0702-y PG 7 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA DR9YP UT WOS:000380252400002 ER PT J AU Barnhill, WC Luo, HM Meyer, HM Ma, C Chi, MF Papke, BL Qu, J AF Barnhill, William C. Luo, Huimin Meyer, Harry M., III Ma, Cheng Chi, Miaofang Papke, Brian L. Qu, Jun TI Tertiary and Quaternary Ammonium-Phosphate Ionic Liquids as Lubricant Additives SO TRIBOLOGY LETTERS LA English DT Article DE Ionic liquid; Ammonium; Lubricant additive; Oil-soluble; Organophosphate ID TRIBOLOGICAL PERFORMANCE; POLY(ETHYLENE GLYCOL); OFHC COPPER; ANTIWEAR; CONTACTS; SALTS; CATIONS; ZDDP AB In this work, we investigated the feasibility of five quaternary (aprotic) and four tertiary (protic) ammonium ionic liquids (ILs) with an identical organophosphate anion as lubricant anti-wear additives. Viscosity, oil solubility, thermal stability and corrosivity of the candidate ILs were characterized and correlated to the molecular structure. The protic group exhibits higher oil solubility than the aprotic group, and longer alkyl chains seem to provide better oil solubility and higher thermal stability. Selected ILs were applied as oil additives in steel-cast iron tribological tests and demonstrated promising anti-scuffing and anti-wear functionality. The thickness, nanostructure, and composition of the tribofilm formed by the best performing IL were revealed by surface characterization for mechanistic understanding of the tribochemical interactions between the IL and metal surface. Results provide fundamental insights of the correlations among the molecular structure, physiochemical properties and lubricating performance for ammonium-phosphate ILs. C1 [Barnhill, William C.; Meyer, Harry M., III; Ma, Cheng; Chi, Miaofang; Qu, Jun] Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008,MS 6063, Oak Ridge, TN 37831 USA. [Luo, Huimin] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN 37831 USA. RP Qu, J (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, POB 2008,MS 6063, Oak Ridge, TN 37831 USA. EM qujn@ornl.gov RI Ma, Cheng/C-9120-2014; Chi, Miaofang/Q-2489-2015; OI Chi, Miaofang/0000-0003-0764-1567; Qu, Jun/0000-0001-9466-3179 FU Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, US Department of Energy (DOE); Scientific User Facilities Division, Office of DOE-BES; DOE Science Undergraduate Laboratory Internships program (SULI) FX The authors thank Dr. H.H. Elsentriecy and D.W. Coffey from ORNL for electrochemical corrosion tests and TEM sample preparation, respectively. This research was sponsored by the Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, US Department of Energy (DOE). Electron microscopy characterization was performed at ORNL's Center for Nanophase Materials Sciences (CNMS), sponsored by the Scientific User Facilities Division, Office of DOE-BES. W.C.B. was supported by the DOE Science Undergraduate Laboratory Internships program (SULI). NR 44 TC 1 Z9 1 U1 7 U2 17 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1023-8883 EI 1573-2711 J9 TRIBOL LETT JI Tribol. Lett. PD AUG PY 2016 VL 63 IS 2 AR 22 DI 10.1007/s11249-016-0707-6 PG 11 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA DR9YP UT WOS:000380252400009 ER PT J AU Olsen, JP Donohoe, BS Borch, K Westh, P Resch, MG AF Olsen, Johan P. Donohoe, Bryon S. Borch, Kim Westh, Peter Resch, Michael G. TI Interrelationships between cellulase activity and cellulose particle morphology SO CELLULOSE LA English DT Article DE Imaging; Transmission electron microscopy; Cellulose surface structure; Cellulase; Cellobiohydrolase; Endoglucanase ID IN-SITU-OBSERVATION; ENZYMATIC-HYDROLYSIS; CELLOBIOHYDROLASE CEL7A; TRICHODERMA-REESEI; ACCESSIBILITY; MODEL; ENDOGLUCANASE; MICROCRYSTALS; PRETREATMENT; MECHANISM AB It is well documented that the enzymatic hydrolysis of cellulose follows a reaction pattern where an initial phase of relatively high activity is followed by a gradual slow-down over the entire course of the reaction. This phenomenon is not readily explained by conventional factors like substrate depletion, product inhibition or enzyme instability. It has been suggested that the underlying reason for the loss of enzyme activity is connected to the heterogeneous structure of cellulose, but so far attempts to establish quantitative measures of such a correlation remain speculative. Here, we have carried out an extensive microscopy study of Avicel particles during extended hydrolysis with Hypocrea jecorina cellobiohydrolase 1 (CBH1) and endoglucanase 1 and 3 (EG1 and EG3) alone and in mixtures. We have used differential interference contrast microscopy and transmission electron microscopy to observe and quantify structural features at mu m and nm resolution, respectively. We implemented a semi-automatic image analysis protocol, which allowed us to analyze almost 3000 individual micrographs comprising a total of more than 300,000 particles. From this analysis we estimated the temporal development of the accessible surface area throughout the reaction. We found that the number of particles and their size as well as the surface roughness contributed to surface area, and that within the investigated degree of conversion (< 30 %) this measure correlated linearly with the rate of reaction. Based on this observation we argue that cellulose structure, specifically surface area and roughness, plays a major role in the ubiquitous rate loss observed for cellulases. C1 [Olsen, Johan P.; Westh, Peter] Roskilde Univ, Dept Sci Syst & Models, Res Unit Funct Biomat, DK-4000 Roskilde, Denmark. [Donohoe, Bryon S.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO USA. [Borch, Kim] Novozymes AS, Krogshojvej 36, Bagsvaerd, Denmark. [Resch, Michael G.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. RP Resch, MG (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. EM michael.resch@nrel.gov OI Olsen, Johan Pelck/0000-0002-1383-8318 FU Danish Council for Strategic Research, Program Commission on Sustainable Energy and Environment [11-116772]; Augustinus Foundation [14-4639]; Oticon Foundation [14-3925]; DOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies Office (BETO) FX This work was supported by the Danish Council for Strategic Research, Program Commission on Sustainable Energy and Environment (Grant # 11-116772 to P.W.), Augustinus Foundation (# 14-4639 to JO) and Oticon Foundation (# 14-3925 to JO). BSD and MGR were supported by the DOE Office of Energy Efficiency and Renewable Energy (EERE), Bioenergy Technologies Office (BETO). The authors gratefully acknowledge associate professor Morten F. Pedersen and assistant professor Per M. Jepsen for their assistance with statistical analyses and coulter counter measurements, respectively. NR 34 TC 0 Z9 0 U1 4 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0969-0239 EI 1572-882X J9 CELLULOSE JI Cellulose PD AUG PY 2016 VL 23 IS 4 BP 2349 EP 2361 DI 10.1007/s10570-016-0979-x PG 13 WC Materials Science, Paper & Wood; Materials Science, Textiles; Polymer Science SC Materials Science; Polymer Science GA DR7OJ UT WOS:000380089300007 ER PT J AU Medlyn, BE De Kauwe, MG Zaehle, S Walker, AP Duursma, RA Luus, K Mishurov, M Pak, B Smith, B Wang, YP Yang, XJ Crous, KY Drake, JE Gimeno, TE Macdonald, CA Norby, RJ Power, SA Tjoelker, MG Ellsworth, DS AF Medlyn, Belinda E. De Kauwe, Martin G. Zaehle, Soenke Walker, Anthony P. Duursma, Remko A. Luus, Kristina Mishurov, Mikhail Pak, Bernard Smith, Benjamin Wang, Ying-Ping Yang, Xiaojuan Crous, Kristine Y. Drake, John E. Gimeno, Teresa E. Macdonald, Catriona A. Norby, Richard J. Power, Sally A. Tjoelker, Mark G. Ellsworth, David S. TI Using models to guide field experiments: a priori predictions for the CO2 response of a nutrient- and water-limited native Eucalypt woodland SO GLOBAL CHANGE BIOLOGY LA English DT Article DE carbon dioxide; drought; ecosystem model; Eucalyptus tereticornis; phosphorus ID ELEVATED ATMOSPHERIC CO2; ENRICHMENT FACE EXPERIMENTS; TERRESTRIAL BIOSPHERE; FOREST PRODUCTIVITY; GROWTH-RESPONSE; SOIL-WATER; ECOSYSTEM DYNAMICS; VEGETATION MODEL; USE EFFICIENCY; GLOBAL CHANGE AB The response of terrestrial ecosystems to rising atmospheric CO2 concentration (C-a), particularly under nutrient-limited conditions, is a major uncertainty in Earth System models. The Eucalyptus Free-Air CO2 Enrichment (EucFACE) experiment, recently established in a nutrient- and water-limited woodland presents a unique opportunity to address this uncertainty, but can best do so if key model uncertainties have been identified in advance. We applied seven vegetation models, which have previously been comprehensively assessed against earlier forest FACE experiments, to simulate a priori possible outcomes from EucFACE. Our goals were to provide quantitative projections against which to evaluate data as they are collected, and to identify key measurements that should be made in the experiment to allow discrimination among alternative model assumptions in a postexperiment model intercomparison. Simulated responses of annual net primary productivity (NPP) to elevated C-a ranged from 0.5 to 25% across models. The simulated reduction of NPP during a low-rainfall year also varied widely, from 24 to 70%. Key processes where assumptions caused disagreement among models included nutrient limitations to growth; feedbacks to nutrient uptake; autotrophic respiration; and the impact of low soil moisture availability on plant processes. Knowledge of the causes of variation among models is now guiding data collection in the experiment, with the expectation that the experimental data can optimally inform future model improvements. C1 [Medlyn, Belinda E.; Duursma, Remko A.; Crous, Kristine Y.; Drake, John E.; Gimeno, Teresa E.; Macdonald, Catriona A.; Power, Sally A.; Tjoelker, Mark G.; Ellsworth, David S.] Univ Western Sydney, Hawkesbury Inst Environm, Locked Bag 1797, Penrith, NSW 2751, Australia. [Medlyn, Belinda E.; De Kauwe, Martin G.] Macquarie Univ, Dept Biol Sci, N Ryde, NSW 2109, Australia. [Zaehle, Soenke; Luus, Kristina] Max Planck Inst Biogeochem, Biogeochem Integrat Dept, Hans Knoll Str 10, D-07745 Jena, Germany. [Walker, Anthony P.; Yang, Xiaojuan; Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN USA. [Walker, Anthony P.; Yang, Xiaojuan; Norby, Richard J.] Oak Ridge Natl Lab, Climate Change Sci Inst, 1 Bethel Valley Rd, Oak Ridge, TN USA. [Mishurov, Mikhail; Smith, Benjamin] Lund Univ, Dept Phys Geog & Ecosyst Sci, Solvegatan 12, S-22362 Lund, Sweden. [Pak, Bernard; Wang, Ying-Ping] CSIRO Oceans & Atmosphere Flagship, Private Bag 1, Aspendale, Vic 3195, Australia. [Gimeno, Teresa E.] ISPA, Bordeaux Sci Agro, F-33140 Villenave Dornon, France. RP Medlyn, BE (reprint author), Univ Western Sydney, Hawkesbury Inst Environm, Locked Bag 1797, Penrith, NSW 2751, Australia.; Medlyn, BE (reprint author), Macquarie Univ, Dept Biol Sci, N Ryde, NSW 2109, Australia. EM b.medlyn@westernsydney.edu.au RI Tjoelker, Mark/M-2413-2016; Smith, Benjamin/I-1212-2016; Power, Sally/I-2923-2012; Walker, Anthony/G-2931-2016; wang, yp/A-9765-2011; Zaehle, Sonke/C-9528-2017; Gimeno, Teresa/C-8770-2011 OI Tjoelker, Mark/0000-0003-4607-5238; Duursma, Remko/0000-0002-8499-5580; Smith, Benjamin/0000-0002-6987-5337; Power, Sally/0000-0002-2723-8671; Walker, Anthony/0000-0003-0557-5594; Zaehle, Sonke/0000-0001-5602-7956; Gimeno, Teresa/0000-0002-1707-9291 FU National Climate Change Adaptation Research Facility (NCCARF); Primary Industries Adaptation Research Network (PIARN); EucFACE by the Australian Government through the Education Investment Fund; Department of Industry and Science; University of Western Sydney; Australian Research Council; US Department of Energy (DOE) Office of Science's Biological and Environmental Research (BER); European Community [238366] FX The National Climate Change Adaptation Research Facility (NCCARF), Primary Industries Adaptation Research Network (PIARN) supported this project and travel for the participants to Sydney, Australia. Additional support via EucFACE as an initiative supported by the Australian Government through the Education Investment Fund and the Department of Industry and Science, in partnership with the University of Western Sydney, is acknowledged. Research support from the Australian Research Council is also acknowledged. Contributions from APW, XJY, MDK, KL and RJN were supported by the US Department of Energy (DOE) Office of Science's Biological and Environmental Research (BER). The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7 2007-2013) under grant agreement no 238366 (Greencycles II). This study is a contribution to MERGE, a strategic research area of Lund University. NR 81 TC 6 Z9 6 U1 20 U2 42 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD AUG PY 2016 VL 22 IS 8 BP 2834 EP 2851 DI 10.1111/gcb.13268 PG 18 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA DR6MU UT WOS:000380016800016 PM 26946185 ER PT J AU von Rein, I Gessler, A Premke, K Keitel, C Ulrich, A Kayler, ZE AF von Rein, Isabell Gessler, Arthur Premke, Katrin Keitel, Claudia Ulrich, Andreas Kayler, Zachary E. TI Forest understory plant and soil microbial response to an experimentally induced drought and heat-pulse event: the importance of maintaining the continuum SO GLOBAL CHANGE BIOLOGY LA English DT Article DE (CO2)-C-13 pulse labeling; 16S rRNA next-generation sequencing; climate extremes; drought; forest understory; heat-pulse; microbial community structure; plant-soil-microbe carbon continuum; PLFAs ID CLIMATE-CHANGE; COMMUNITY COMPOSITION; TERRESTRIAL ECOSYSTEMS; TEMPERATE GRASSLAND; CARBON ALLOCATION; SUMMER DROUGHT; BOREAL FOREST; PEAT SOILS; BACTERIAL; RESILIENCE AB Drought duration and intensity are expected to increase with global climate change. How changes in water availability and temperature affect the combined plant-soil-microorganism response remains uncertain. We excavated soil monoliths from a beech (Fagus sylvatica L.) forest, thus keeping the understory plant-microbe communities intact, imposed an extreme climate event, consisting of drought and/or a single heat-pulse event, and followed microbial community dynamics over a time period of 28days. During the treatment, we labeled the canopy with (CO2)-C-13 with the goal of (i) determining the strength of plant-microbe carbon linkages under control, drought, heat and heat-drought treatments and (ii) characterizing microbial groups that are tightly linked to the plant-soil carbon continuum based on C-13-labeled PLFAs. Additionally, we used 16S rRNA sequencing of bacteria from the Ah horizon to determine the short-term changes in the active microbial community. The treatments did not sever within-plant transport over the experiment, and carbon sinks belowground were still active. Based on the relative distribution of labeled carbon to roots and microbial PLFAs, we determined that soil microbes appear to have a stronger carbon sink strength during environmental stress. High-throughput sequencing of the 16S rRNA revealed multiple trajectories in microbial community shifts within the different treatments. Heat in combination with drought had a clear negative effect on microbial diversity and resulted in a distinct shift in the microbial community structure that also corresponded to the lowest level of label found in the PLFAs. Hence, the strongest changes in microbial abundances occurred in the heat-drought treatment where plants were most severely affected. Our study suggests that many of the shifts in the microbial communities that we might expect from extreme environmental stress will result from the plant-soil-microbial dynamics rather than from direct effects of drought and heat on soil microbes alone. C1 [von Rein, Isabell; Gessler, Arthur; Premke, Katrin; Ulrich, Andreas; Kayler, Zachary E.] Leibniz Ctr Agr Landscape Res ZALF, Inst Landscape Biogeochem, D-15374 Muncheberg, Germany. [Gessler, Arthur] Berlin Brandenburg Inst Adv Biodivers Res BBIB, Altensteinstr 6, D-14195 Berlin, Germany. [Gessler, Arthur] Swiss Fed Inst Forest Snow & Landscape Res WSL, Zurcherstr 111, CH-8903 Birmensdorf, Switzerland. [Premke, Katrin] Leibniz Inst Freshwater Ecol & Inland Fisheries C, Muggelseedamm 310, D-12587 Berlin, Germany. [Keitel, Claudia] Univ Sydney, Fac Agr & Environm, Ctr Carbon Water & Food, 380 Werombi Rd, Brownlow Hill, NSW 2570, Australia. RP Ulrich, A (reprint author), Leibniz Ctr Agr Landscape Res ZALF, Inst Landscape Biogeochem, D-15374 Muncheberg, Germany.; Kayler, ZE (reprint author), USDA Forest Serv, Northern Res Stn, Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM zkayler@fs.fed.us; zkayler@fs.fed.us RI Gessler, Arthur/C-7121-2008; Ulrich, Andreas/G-3956-2012 OI Gessler, Arthur/0000-0002-1910-9589; Ulrich, Andreas/0000-0003-3854-9608 NR 85 TC 3 Z9 3 U1 32 U2 57 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1354-1013 EI 1365-2486 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD AUG PY 2016 VL 22 IS 8 BP 2861 EP 2874 DI 10.1111/gcb.13270 PG 14 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA DR6MU UT WOS:000380016800018 PM 26946456 ER PT J AU Dorier, M Ibrahim, S Antoniu, G Ross, R AF Dorier, Matthieu Ibrahim, Shadi Antoniu, Gabriel Ross, Rob TI Using Formal Grammars to Predict I/O Behaviors in HPC: The Omnisc'IO Approach SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE HPC; storage; I/O; prediction; grammar; Omnisc'IO AB The increasing gap between the computation performance of post-petascale machines and the performance of their I/O subsystem has motivated many I/O optimizations including prefetching, caching, and scheduling. In order to further improve these techniques, modeling and predicting spatial and temporal I/O patterns of HPC applications as they run has become crucial. In this paper we present Omnisc'IO, an approach that builds a grammar-based model of the I/O behavior of HPC applications and uses it to predict when future I/O operations will occur, and where and how much data will be accessed. To infer grammars, Omnisc'IO is based on StarSequitur, a novel algorithm extending Nevill-Manning's Sequitur algorithm. Omnisc'IO is transparently integrated into the POSIX and MPI I/O stacks and does not require any modification in applications or higher-level I/O libraries. It works without any prior knowledge of the application and converges to accurate predictions of any N future I/O operations within a couple of iterations. Its implementation is efficient in both computation time and memory footprint. C1 [Dorier, Matthieu] ENS Rennes, IRISA, Rennes, France. [Dorier, Matthieu; Ross, Rob] Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. [Ibrahim, Shadi; Antoniu, Gabriel] Inria, Ctr Rennes Bretagne Atlanique, Rennes, France. RP Dorier, M (reprint author), ENS Rennes, IRISA, Rennes, France.; Dorier, M (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. EM mdorier@mcs.ani.gov; shadi.ibrahim@inria.fr; gabriel.antoniu@inria.fr; rross@mcs.ani.gov OI Dorier, Matthieu/0000-0001-9293-2021 FU US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research [DE-AC02-06C1111357] FX This material is based upon work supported by the US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, under contract number DE-AC02-06C1111357. This work was done in the framework of a collaboration between the KerData joint Inria ENS Rennes Insa Rennes team and Argonne National Laboratory within the Joint Laboratory for Extreme-Scale Computing. Experiments presented in this paper were carried out using the Grid5000 testbed, supported by a scientific interest group hosted by Inria and including CNRS, RENATER, and several Universities as well as other organizations (see http://www.grid5000.fr/) NR 35 TC 0 Z9 0 U1 1 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 EI 1558-2183 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD AUG PY 2016 VL 27 IS 8 BP 2435 EP 2449 DI 10.1109/TPDS.2015.2485980 PG 15 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA DR7DP UT WOS:000380060500021 ER PT J AU Han, CS AF Han, Cliff Shunsheng TI A specific hygiene hypothesis SO MEDICAL HYPOTHESES LA English DT Article ID ALLERGIC DISEASE; RESPIRATORY ALLERGY; HAY-FEVER; PERIODONTAL-DISEASE; DOSE-RESPONSE; UNITED-STATES; PREVALENCE; ENVIRONMENT; TRICLOSAN; EXPOSURE AB Allergic diseases have reached epidemic proportions in Western populations in the last several decades. The hygiene hypothesis proposed more than twenty years ago has helped us to understand the epidemic and has been verified with numerous studies. However, translational measures deduced from these studies to prevent allergic diseases have not proven effective. Recent studies on immigrants' allergies and any potential association between oral infection and allergic diseases prompt me to propose a specific hygiene hypothesis to explain how oral hygiene practices might have contributed to the uprising of hay fever, the most common allergic disease. The historic oral hygiene level in US is closely associated with the emerging allergic epidemic. Future studies to test the hypothesis are needed and verification of the hypothesis can potentially yield highly effective measures to prevent allergic diseases. Published by Elsevier Ltd. C1 [Han, Cliff Shunsheng] Los Alamos Natl Lab, Biosci Div, MS M888, Los Alamos, NM 87545 USA. [Han, Cliff Shunsheng] Los Alamos Natl Lab, Qual Performance Assurance Div, MS M888, Los Alamos, NM 87545 USA. RP Han, CS (reprint author), Los Alamos Natl Lab, Biosci Div, MS M888, Los Alamos, NM 87545 USA.; Han, CS (reprint author), Los Alamos Natl Lab, Qual Performance Assurance Div, MS M888, Los Alamos, NM 87545 USA. FU Los Alamos National Laboratory, Laboratory Directed Research and Development [20130779PRD1] FX This project was supported by Los Alamos National Laboratory, Laboratory Directed Research and Development, 20130779PRD1. I thank Joe Alcock, Melanie Martin, and Armand Dichosa for previous stimulating collaborations in, the microbiome study of the Tsimane people and valuable comments during the preparations of the manuscript. I am grateful to Ruy Ribeiro for his encouraging and constructive discussions. I am grateful that the critics for a grant review from NIH have also helped to strengthen the discussions. NR 41 TC 0 Z9 0 U1 8 U2 11 PU CHURCHILL LIVINGSTONE PI EDINBURGH PA JOURNAL PRODUCTION DEPT, ROBERT STEVENSON HOUSE, 1-3 BAXTERS PLACE, LEITH WALK, EDINBURGH EH1 3AF, MIDLOTHIAN, SCOTLAND SN 0306-9877 EI 1532-2777 J9 MED HYPOTHESES JI Med. Hypotheses PD AUG PY 2016 VL 93 BP 146 EP 149 DI 10.1016/j.mehy.2016.05.029 PG 4 WC Medicine, Research & Experimental SC Research & Experimental Medicine GA DR7KG UT WOS:000380077900031 ER PT J AU Ham, CJ Cramp, RGJ Gibson, S Lazerson, SA Chapman, IT Kirk, A AF Ham, C. J. Cramp, R. G. J. Gibson, S. Lazerson, S. A. Chapman, I. T. Kirk, A. TI Non-axisymmetric ideal equilibrium and stability of ITER plasmas with rotating RMPs SO NUCLEAR FUSION LA English DT Article DE RMP coils; toroidal harmonics; vacuum field; RMP rotation; ballooning mode; ITER AB The magnetic perturbations produced by the resonant magnetic perturbation (RMP) coils will be rotated in ITER so that the spiral patterns due to strike point splitting which are locked to the RMP also rotate. This is to ensure even power deposition on the divertor plates. VMEC equilibria are calculated for different phases of the RMP rotation. It is demonstrated that the off harmonics rotate in the opposite direction to the main harmonic. This is an important topic for future research to control and optimize ITER appropriately. High confinement mode (H-mode) is favourable for the economics of a potential fusion power plant and its use is planned in ITER. However, the high pressure gradient at the edge of the plasma can trigger periodic eruptions called edge localized modes (ELMs). ELMs have the potential to shorten the life of the divertor in ITER (Loarte et al 2003 Plasma Phys. Control. Fusion 45 1549) and so methods for mitigating or suppressing ELMs in ITER will be important. Non-axisymmetric RMP coils will be installed in ITER for ELM control. Sampling theory is used to show that there will be significant a n(coils) - n(rmp) harmonic sideband. There are nine coils toroidally in ITER so n(coils) = 9. This results in a significant n = 6 component to the n(rmp) = 3 applied field and a significant n = 5 component to the n(rmp) = 4 applied field. Although the vacuum field has similar amplitudes of these harmonics the plasma response to the various harmonics dictates the final equilibrium. Magnetic perturbations with toroidal mode number n = 3 and n = 4 are applied to a 15 MA, q(95) approximate to 3 burning ITER plasma. We use a three-dimensional ideal magnetohydrodynamic model (VMEC) to calculate ITER equilibria with applied RMPs and to determine growth rates of infinite n ballooning modes (COBRA). The n(rmp) = 4 case shows little change in ballooning mode growth rate as the RMP is rotated, however there is a change with rotation for the n(rmp) = 3 case. C1 [Ham, C. J.; Cramp, R. G. J.; Chapman, I. T.; Kirk, A.] Culham Sci Ctr, CCFE, Abingdon OX14 3DB, Oxon, England. [Cramp, R. G. J.] Univ Bath, Dept Phys, Bath BA2 7AY, Avon, England. [Gibson, S.; Chapman, I. T.] Univ Durham, Dept Phys, Durham DH1 3LE, England. [Lazerson, S. A.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RP Ham, CJ (reprint author), Culham Sci Ctr, CCFE, Abingdon OX14 3DB, Oxon, England. EM christopher.ham@ccfe.ac.uk RI Lazerson, Samuel/E-4816-2014 OI Lazerson, Samuel/0000-0001-8002-0121 FU Euratom research and training programme [633053]; RCUK Energy Programme [EP/I501045] FX The authors thank S. Hirshman for the use of VMEC and R. Sanchez for the use of COBRA. C.J.H. thanks Y.Q. Liu for his comments on the manuscript. R.G.J.C. thanks D. Ryan & J. Simpson for useful discussions. 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 grant agreement No 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. This project has also received funding from the RCUK Energy Programme (grant number EP/I501045). To obtain further information on the data and models underlying this paper please contact PublicationsManager@ccfe.ac.uk. NR 31 TC 0 Z9 0 U1 4 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 AUG PY 2016 VL 56 IS 8 AR 086005 DI 10.1088/0029-5515/56/8/086005 PG 8 WC Physics, Fluids & Plasmas SC Physics GA DR9HJ UT WOS:000380207400006 ER PT J AU Hubbard, AE Osborne, T Ryter, F Austin, M Orte, LB Churchill, RM Cziegler, I Fenstermacher, M Fischer, R Gerhardt, S Groebner, R Gohil, P Happel, T Hughes, JW Loarte, A Maingi, R Manz, P Marinoni, A Marmar, ES McDermott, RM McKee, G Rhodes, TL Rice, JE Schmitz, L Theiler, C Viezzer, E Walk, JR White, A Whyte, D Wolfe, S Wolfrum, E Yan, Z AF Hubbard, A. E. Osborne, T. Ryter, F. Austin, M. Orte, L. Barrera Churchill, R. M. Cziegler, I. Fenstermacher, M. Fischer, R. Gerhardt, S. Groebner, R. Gohil, P. Happel, T. Hughes, J. W. Loarte, A. Maingi, R. Manz, P. Marinoni, A. Marmar, E. S. McDermott, R. M. McKee, G. Rhodes, T. L. Rice, J. E. Schmitz, L. Theiler, C. Viezzer, E. Walk, J. R. White, A. Whyte, D. Wolfe, S. Wolfrum, E. Yan, Z. CA Alcator C-Mod Team ASDEX Upgrade Team DIII-D Team TI Multi-device studies of pedestal physics and confinement in the I-mode regime SO NUCLEAR FUSION LA English DT Article DE FEC 2014; tokamak; I-mode; pedestal; threshold ID PLASMA-CONFINEMENT; TOKAMAKS AB This paper describes joint ITPA studies of the I-mode regime, which features an edge thermal barrier together with L-mode-like particle and impurity transport and no edge localized modes (ELMs). The regime has been demonstrated on the Alcator C-Mod, ASDEX Upgrade and DIII-D tokamaks, over a wide range of device parameters and pedestal conditions. Dimensionless parameters at the pedestal show overlap across devices and extend to low collisionality. When they are matched, pedestal temperature profiles are also similar. Pedestals are stable to peeling-ballooning modes, consistent with lack of ELMs. Access to I-mode is independent of heating method (neutral beam injection, ion cyclotron and/ or electron cyclotron resonance heating). Normalized energy confinement H-98,H-y2 >= 1 has been achieved for a range of 3 <= q(95) <= 4.9 and scales favourably with power. Changes in turbulence in the pedestal region accompany the transition from L-mode to I-mode. The L-I threshold increases with plasma density and current, and with device size, but has a weak dependence on toroidal magnetic field B-T. The upper limit of power for I-modes, which is set by I-H transitions, increases with BT and the power range is largest on Alcator C-Mod at B > 5 T. Issues for extrapolation to ITER and other future fusion devices are discussed. C1 [Hubbard, A. E.; Hughes, J. W.; Marinoni, A.; Marmar, E. S.; Rice, J. E.; Walk, J. R.; White, A.; Whyte, D.; Wolfe, S.] MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Osborne, T.; Groebner, R.; Gohil, P.] Gen Atom Co, POB 85608, San Diego, CA 92186 USA. [Ryter, F.; Orte, L. Barrera; Fischer, R.; Happel, T.; Manz, P.; McDermott, R. M.; Viezzer, E.; Wolfrum, E.] Max Planck Inst Plasma Phys, Boltzmannstr 2, D-85748 Garching, Germany. [Austin, M.] Univ Texas Austin, Inst Fus Studies, Austin, TX 78712 USA. [Cziegler, I.] Univ Calif San Diego, Ctr Momentum Transport & Flow Org, La Jolla, CA 92093 USA. [Fenstermacher, M.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Churchill, R. M.; Gerhardt, S.; Maingi, R.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Loarte, A.] ITER Org, Route Vinon Sur Verdon,CS 90 046, F-13067 St Paul Les Durance, France. [McKee, G.; Yan, Z.] Univ Wisconsin, Madison, WI 53706 USA. [Rhodes, T. L.; Schmitz, L.] Univ Calif Los Angeles, POB 957099, Los Angeles, CA 90095 USA. [Theiler, C.] Ecole Polytech Fed Lausanne, Swiss Plasma Ctr, CH-1015 Lausanne, Switzerland. [Orte, L. Barrera] ITER Phys Dept, EUROfus Programme Management Unit, Boltzmannstr 2, D-85748 Garching, Germany. [Cziegler, I.] Univ York, Dept Phys, York, N Yorkshire, England. RP Hubbard, AE (reprint author), MIT, Plasma Sci & Fus Ctr, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM hubbard@psfc.mit.edu OI Theiler, Christian/0000-0003-3926-1374; Viezzer, Eleonora/0000-0001-6419-6848 FU U.S. Department of Energy [DE-FC02-99ER54512-CMOD, DE-SC0012469, DE-FC02-04ER54698, DE-FG02-94ER54235, DE-AC52-07NA27344, DE-AC02-09CH11466, DE-FG02-89ER53296, DE-FG02-08ER54999, DE-FG02-08ER54984]; ITPA Topical Group on Pedestal and Edge Physics; ITPA Topical Group on Transport and Confinement; Euratom research and training programme [633053] FX Work in U.S. was supported by the U.S. Department of Energy agreements DE-FC02-99ER54512-CMOD, DE-SC0012469, DE-FC02-04ER54698, DE-FG02-94ER54235, DE-AC52-07NA27344, DE-AC02-09CH11466, DE-FG02-89ER53296, DE-FG02-08ER54999, and DE-FG02-08ER54984, using DOE Office of Science facilities Alcator C-Mod and DIII-D. This work was conducted under the auspices of the ITPA Topical Groups on Pedestal and Edge Physics and on Transport and Confinement. This work has been partly carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 under grant agreement number 633053. The views and opinions expressed herein do not necessarily reflect those of the European Commission. ITER is the Nuclear Facility INB no. 174. The views and opinions expressed herein do not necessarily reflect those of the ITER Organization. NR 38 TC 3 Z9 3 U1 8 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 AUG PY 2016 VL 56 IS 8 AR 086003 DI 10.1088/0029-5515/56/8/086003 PG 14 WC Physics, Fluids & Plasmas SC Physics GA DR9HJ UT WOS:000380207400004 ER PT J AU Turnbull, AD Reiman, AH Lao, LL Cooper, WA Ferraro, NM Buttery, RJ AF Turnbull, A. D. Reiman, A. H. Lao, L. L. Cooper, W. A. Ferraro, N. M. Buttery, R. J. TI Stabilization of the vertical instability by non-axisymmetric coils SO NUCLEAR FUSION LA English DT Article DE magnetohydrodynamic stability; axisymmetric stability; vertical stability; 3D magnetic fields ID MAGNETOHYDRODYNAMIC STABILITY; CONFINEMENT; TOKAMAKS; PLASMAS AB In a published Physical Review Letter (Reiman 2007 Phys. Rev. Lett. 99 135007), it was shown that axisymmetric (or vertical) stability can be improved by placing a set of parallelogram coils above and below the plasma oriented at an angle to the constant toroidal planes. The physics of this stabilization can be understood as providing an effective additional positive stability index. The original work was based on a simplified model of a straight tokamak and is not straightforwardly applicable to a finite aspect ratio, strongly shaped plasma such as in DIII-D. Numerical calculations were performed in a real DIII-D-like configuration to provide a proof of principal that 3-D fields can, in fact raise the elongation limits as predicted. A four field period trapezioid-shaped coil set was developed in toroidal geometry and 3D equilibria were computed using trapezium coil currents of 10 kA, 100 kA, and 500 kA. The ideal magnetohydrodynamics growth rates were computed as a function of the conformal wall position for the n = 0 symmetry-preserving family. The results show an insignificant relative improvement in the stabilizing wall location for the two lower coil current cases, of the order of 10(-3) and less. In contrast, the marginal wall position is increased by 7% as the coil current is increased to 500 kA, confirming the main prediction from the original study in a real geometry case. In DIII-D the shift in marginal wall position of 7% would correspond to being able to move the existing wall outward by 5 to 10 cm. While the predicted effect on the axisymmetric stability is real, it appears to require higher coil currents than could be provided in an upgrade to existing facilities. Additional optimization over the pitch of the coils, the number of field periods and the coil positions, as well as plasma parameters, such as the internal inductivity l(i), beta, and q(95) would mitigate this but seem unlikely to change the conclusion. C1 [Turnbull, A. D.; Lao, L. L.; Ferraro, N. M.; Buttery, R. J.] Gen Atom Co, San Diego, CA 92121 USA. [Reiman, A. H.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Cooper, W. A.] Ctr Rech Phys Plasmas, Lausanne, Switzerland. RP Turnbull, AD (reprint author), Gen Atom Co, San Diego, CA 92121 USA. EM turnbull@fusion.gat.com FU U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences [DE-FC02-04ER54698]; General Atomics Internal Research and Development FX This material is based upon work supported by the U.S. 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 Award DE-FC02-04ER54698. Work is also supported by General Atomics Internal Research and Development. NR 13 TC 0 Z9 0 U1 3 U2 4 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 AUG PY 2016 VL 56 IS 8 AR 086006 DI 10.1088/0029-5515/56/8/086006 PG 8 WC Physics, Fluids & Plasmas SC Physics GA DR9HJ UT WOS:000380207400007 ER PT J AU Battaglia, DJ Burrell, KH Chang, CS deGrassie, JS Grierson, BA Groebner, RJ Hager, R AF Battaglia, D. J. Burrell, K. H. Chang, C. S. deGrassie, J. S. Grierson, B. A. Groebner, R. J. Hager, R. TI Improved kinetic neoclassical transport calculation for a low-collisionality QH-mode pedestal SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE tokamak; pedestal; electric field; transport; kinetic neoclassical; ion orbit loss ID H-MODE; DIII-D; PLASMAS; TOKAMAK AB The role of neoclassical, anomalous and neutral transport to the overall H-mode pedestal and scrape-off layer (SOL) structure in an ELM-free QH-mode discharge on DIII-D is explored using XGC0, a 5D full-f multi-species particle-in-cell drift-kinetic solver with self-consistent neutral recycling and sheath potentials. The work in this paper builds on previous work aimed at achieving quantitative agreement between the flux-driven simulation and the experimental electron density, impurity density and orthogonal measurements of impurity temperature and flow profiles. Improved quantitative agreement is achieved by performing the calculations with a more realistic electron mass, larger neutral density and including finite-Larmor-radius corrections self-consistently in the drift-kinetic motion of the particles. Consequently, the simulations provide stronger evidence that the radial electric field (E-r) in the pedestal is primarily established by the required balance between the loss of high-energy tail main ions against a pinch of colder main ions and impurities. The kinetic loss of a small population of ions carrying a large proportion of energy and momentum leads to a separation of the particle and energy transport rates and introduces a source of intrinsic edge torque. Ion orbit loss and finite orbit width effects drive the energy distributions away from Maxwellian, and describe the anisotropy, poloidal asymmetry and local minimum near the separatrix observed in the T-i profile. C1 [Battaglia, D. J.; Chang, C. S.; Grierson, B. A.; Hager, R.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Burrell, K. H.; deGrassie, J. S.; Groebner, R. J.] Gen Atom, POB 85608, San Diego, CA 92186 USA. RP Battaglia, DJ (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM dbattagl@pppl.gov FU DOE Office of Science [DE-AC02-09CH11466, DE-FG02-07ER54917, DE-FC02-04ER54698, DE-AC05-00OR22725]; U.S. Department of Energy, Office of Science, Office of Fusion Energy Sciences FX This material is based upon work supported by the U.S. 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-AC02-09CH11466, DE-FG02-07ER54917, DE-FC02-04ER54698, and DE-AC05-00OR22725. 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 20 TC 0 Z9 0 U1 5 U2 7 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 AUG PY 2016 VL 58 IS 8 AR 085009 DI 10.1088/0741-3335/58/8/085009 PG 10 WC Physics, Fluids & Plasmas SC Physics GA DR9PC UT WOS:000380227600016 ER PT J AU Kramer, GJ Bortolon, A Ferraro, NM Spong, DA Crocker, NA Darrow, DS Fredrickson, ED Kubota, S Park, JK Podesta, M Heidbrink, WW AF Kramer, G. J. Bortolon, A. Ferraro, N. M. Spong, D. A. Crocker, N. A. Darrow, D. S. Fredrickson, E. D. Kubota, S. Park, J-K Podesta, M. Heidbrink, W. W. CA NSTX Team TI Mitigation of Alfvenic activity by 3D magnetic perturbations on NSTX SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article DE rmp fields; wave-particle interaction; Alfven eigenmodes ID EIGENMODES; INSTABILITIES; TOROIDICITY; DISCHARGES; STABILITY; TOKAMAKS; TAE AB Observations on the National Spherical Torus Experiment (NSTX) indicate that externally applied non-axisymmetric magnetic perturbations (MP) can reduce the amplitude of toroidal Alfven eigenmodes (TAE) and global Alfven eigenmodes (GAE) in response to pulsed n = 3 non-resonant fields. From full-orbit following Monte Carlo simulations with the one- and two-fluid resistive MHD plasma response to the magnetic perturbation included, it was found that in response to MP pulses the fast-ion losses increased and the fast-ion drive for the GAEs was reduced. The MP did not affect the fast-ion drive for the TAEs significantly but the Alfven continuum at the plasma edge was found to be altered due to the toroidal symmetry breaking which leads to coupling of different toroidal harmonics. The TAE gap was reduced at the edge creating enhanced continuum damping of the global TAEs, which is consistent with the observations. The results suggest that optimized non-axisymmetric MP might be exploited to control and mitigate Alfven instabilities by tailoring the fast-ion distribution function and/or continuum structure. C1 [Kramer, G. J.; Bortolon, A.; Ferraro, N. M.; Darrow, D. S.; Fredrickson, E. D.; Park, J-K; Podesta, M.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Ferraro, N. M.] Gen Atom, POB 85608, San Diego, CA 92186 USA. [Spong, D. A.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Crocker, N. A.; Kubota, S.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Heidbrink, W. W.] Univ Calif Irvine, Irvine, CA 92697 USA. RP Kramer, GJ (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM gkramer@pppl.gov FU US Department of Energy [DE-AC02-09CH11466, SC-G903402, DE-FG02-99ER54527, DE-FC02-04-ER54698] FX This work was supported by the US Department of Energy under DE-AC02-09CH11466, SC-G903402, DE-FG02-99ER54527, and DE-FC02-04-ER54698. The digital data for this paper is archived in: http://arks.princeton.edu/ark:/88435/dsp01rx913s312. NR 52 TC 0 Z9 0 U1 8 U2 9 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 AUG PY 2016 VL 58 IS 8 AR 085003 DI 10.1088/0741-3335/58/8/085003 PG 12 WC Physics, Fluids & Plasmas SC Physics GA DR9PC UT WOS:000380227600010 ER PT J AU Mooney, PM Tarun, M Beaton, DA Mascarenhas, A Alberi, K AF Mooney, P. M. Tarun, Marianne Beaton, D. A. Mascarenhas, A. Alberi, K. TI Deep level defects in dilute GaAsBi alloys grown under intense UV illumination SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY LA English DT Article DE GaAsBi; DLTS; deep level defects ID GAAS1-XBIX; TRAPS AB Dilute GaAs1-xBix alloys exhibiting narrow band edge photoluminescence (PL) were recently grown by molecular beam epitaxy (MBE) with the growth surface illuminated by intense UV radiation. To investigate whether the improved optical quality of these films results from a reduction in the concentration of deep level defects, p+/n and n+/p junction diodes were fabricated on both the illuminated and dark areas of several samples. Deep Level Transient Spectroscopy (DLTS) measurements show that the illuminated and dark areas of both the n- and p-type GaAs1-xBix epi-layers have similar concentrations of near mid-gap electron and hole traps, in the 1015 cm(-3) range. Thus the improved PL spectra cannot be explained by a reduction in non-radiative recombination at deep level defects. We note that carrier freeze-out above 35 K is significantly reduced in the illuminated areas of the p-type GaAs1-xBix layers compared to the dark areas, allowing the first DLTS measurements of defect energy levels close to the valence band edge. These defect levels may account for differences in the PL spectra from the illuminated and dark areas of un-doped layers with a similar Bi fraction. C1 [Mooney, P. M.; Tarun, Marianne] Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. [Beaton, D. A.; Mascarenhas, A.; Alberi, K.] Natl Renewal Energy Lab, Golden, CO 80401 USA. RP Mooney, PM (reprint author), Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. EM pmooney@sfu.ca FU Natural Sciences and Engineering Council of Canada; US Department of Energy, Office of Science, Basic Energy Sciences [DE-AC36-O8GO-28308] FX The research at Simon Fraser University was supported by the Natural Sciences and Engineering Council of Canada. The work at the National Renewal Energy Laboratory was supported by the US Department of Energy, Office of Science, Basic Energy Sciences under DE-AC36-O8GO-28308. NR 33 TC 1 Z9 1 U1 10 U2 12 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0268-1242 EI 1361-6641 J9 SEMICOND SCI TECH JI Semicond. Sci. Technol. PD AUG PY 2016 VL 31 IS 8 AR 085014 DI 10.1088/0268-1242/31/8/085014 PG 9 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA DR9NK UT WOS:000380223200022 ER PT J AU Yang, JH Yin, WJ Park, JS Ma, J Wei, SH AF Yang, Ji-Hui Yin, Wan-Jian Park, Ji-Sang Ma, Jie Wei, Su-Huai TI Review on first-principles study of defect properties of CdTe as a solar cell absorber SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY LA English DT Review DE defect control; CdTe; solar cell ID MOLECULAR-BEAM EPITAXY; NONRADIATIVE MULTIPHONON TRANSITIONS; MINORITY-CARRIER LIFETIME; TOTAL-ENERGY CALCULATIONS; II-VI SEMICONDUCTORS; SINGLE-CRYSTAL CDTE; WAVE BASIS-SET; POLYCRYSTALLINE CDTE; CDCL2 TREATMENT; DOPED CDTE AB CdTe is one of the leading materials for high-efficiency, low-cost, and thin-film solar cells. In this work, we review the recent first-principles study of defect properties of CdTe and present that: (1) When only intrinsic defects are present, p-type doping in CdTe is weak and the hole density is low due to the relatively deep acceptor levels of Cd vacancy. (2) When only intrinsic defects present, the dominant non-radiative recombination center in p-type CdTe is Te-Cd(2+), which limits the carrier lifetime to be around 200 ns. (3) Extrinsic p-type doping in CdTe by replacing Te with group V elements generally will be limited by the formation of AX centers. This could be overcome through a non-equilibrium cooling process and the hole density can achieve 10(17) cm(-3). However, the long-term stability will be a challenging issue. (4) Extrinsic p-type doping by replacing Cd with alkaline group I elements is limited by alkaline interstitials and a non-equilibrium cooling process can efficiently enhance the hole density to the order of 10(17) cm(-3). (5) Cu and Cl treatments are discussed. In bulk CdTe, Cu can enhance p-type doping, but Cl is found to be unsuitable for this. Both Cu and Cl show segregation at grain boundaries, especially at those with Te-Te wrong bonds. (6) External impurities are usually incorporated by diffusion. Therefore, the diffusion processes in CdTe are investigated. We find that cation interstitial (Na-i, Cu-i) diffusion follows relatively simple diffusion paths, but anion diffusion (Cl-i, P-i) follows more complicated paths due to the degenerated defect wavefunctions. C1 [Yang, Ji-Hui; Yin, Wan-Jian; Park, Ji-Sang] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Yin, Wan-Jian] Soochow Univ, Innovat Ctr Suzhou Nano Sci & Technol, Coll Phys Optoelect & Energy & Collaborat, Suzhou 215006, Peoples R China. [Ma, Jie] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wei, Su-Huai] Beijing Computat Sci Res Ctr, Beijing 100094, Peoples R China. RP Wei, SH (reprint author), Beijing Computat Sci Res Ctr, Beijing 100094, Peoples R China. EM suhuaiwei@csrc.ac.cn RI Park, Ji-Sang/F-9944-2010 OI Park, Ji-Sang/0000-0002-1374-8793 FU US Department of Energy [DE-AC36-08GO28308]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX We would like to thank T Barnes, W Metzger, D Vasileska, I Sankin, D Kuciauskas, J Li, Y Yan, J Sites, K Lynn and S Seyedmohommadi for valuable discussions. The work at NREL was funded by the US Department of Energy under Contract No. DE-AC36-08GO28308. The calculations were done on NREL's Peregrine supercomputer and at 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. NR 118 TC 2 Z9 2 U1 33 U2 49 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0268-1242 EI 1361-6641 J9 SEMICOND SCI TECH JI Semicond. Sci. Technol. PD AUG PY 2016 VL 31 IS 8 AR 083002 DI 10.1088/0268-1242/31/8/083002 PG 22 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA DR9NK UT WOS:000380223200003 ER PT J AU Yu, KM Sarney, WL Novikov, SV Segercrantz, N Ting, M Shaw, M Svensson, SP Martin, RW Walukiewicz, W Foxon, CT AF Yu, K. M. Sarney, W. L. Novikov, S. V. Segercrantz, N. Ting, M. Shaw, M. Svensson, S. P. Martin, R. W. Walukiewicz, W. Foxon, C. T. TI Highly mismatched GaN1-xSbx alloys: synthesis, structure and electronic properties SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY LA English DT Review DE highly mismatched alloys; nitride; band anticrossing; electronic band structure; photoelectrochemical water splitting ID MOLECULAR-BEAM EPITAXY; LOW-TEMPERATURE GROWTH; VAPOR-PHASE EPITAXY; BAND-GAP ENERGY; COMPOSITION DEPENDENCE; OPTICAL-PROPERTIES; GALLIUM-NITRIDE; LASER-DIODES; SOLAR-CELLS; THIN-FILMS AB Highly mismatched alloys (HMAs) is a class of semiconductor alloys whose constituents are distinctly different in terms of size, ionicity and/or electronegativity. Electronic properties of the alloys deviate significantly from an interpolation scheme based on small deviations from the virtual crystal approximation. Most of the HMAs were only studied in a dilute composition limit. Recent advances in understanding of the semiconductor synthesis processes allowed growth of thin films of HMAs under non-equilibrium conditions. Thus reducing the growth temperature allowed synthesis of group III-N-V HMAs over almost the entire composition range. This paper focuses on the GaNxSb1-x HMA which has been suggested as a potential material for solar water dissociation devices. Here we review our recent work on the synthesis, structural and optical characterization of GaN1-xSbx HMA. Theoretical modeling studies on its electronic structure based on the band anticrossing (BAC) model are also reviewed. In particular we discuss the effects of growth temperature, Ga flux and Sb flux on the incorporation of Sb, film microstructure and optical properties of the alloys. Results obtained from two separate MBE growths are directly compared. Our work demonstrates that a large range of direct bandgap energies from 3.4 eV to below 1.0 eV can be achieved for this alloy grown at low temperature. We show that the electronic band structure of GaN1-xSbx HMA over the entire composition range is well described by a modified BAC model which includes the dependence of the host matrix band edges as well as the BAC model coupling parameters on composition. We emphasize that the modified BAC model of the electronic band structure developed for the full composition of GaN(x)Sb(1-)x is general and is applicable to any HMA. C1 [Yu, K. M.] City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China. [Yu, K. M.; Segercrantz, N.; Ting, M.; Walukiewicz, W.] Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Sarney, W. L.; Svensson, S. P.] US Army Res Lab, 2800 Powder Mill Rd, Adelphi, MD 20783 USA. [Novikov, S. V.; Foxon, C. T.] Univ Nottingham, Sch Phys & Astron, Nottingham NG7 2RD, England. [Segercrantz, N.] Aalto Univ, Dept Appl Phys, FI-00076 Aalto, Finland. [Ting, M.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Shaw, M.; Martin, R. W.] Univ Strathclyde, SUPA, Dept Phys, Glasgow G4 0NG, Lanark, Scotland. RP Yu, KM (reprint author), City Univ Hong Kong, Dept Phys & Mat Sci, Kowloon, Hong Kong, Peoples R China.; Yu, KM (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM kinmanyu@cityu.edu.hk OI Yu, Kin Man/0000-0003-1350-9642 FU EPSRC [EP/I004203/1]; US Army [W911NF-12-2-0003]; US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-05CH11231]; General Research Fund of the Research Grants Council of Hong Kong SAR, China [CityU 11303715] FX The MBE growth at the University of Nottingham was undertaken with support from the EPSRC (EP/I004203/1) and by the US Army under cooperative agreement No. W911NF-12-2-0003. RBS and optical measurements and theoretical modeling were performed in the EMAT program at LBNL and were supported by the US Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division under Contract No. DE-AC02-05CH11231. KMY acknowledges the support of the General Research Fund of the Research Grants Council of Hong Kong SAR, China, under project number CityU 11303715. The characterization work at Strathclyde University was funded by EPSRC grant number EP/I004203/1. There are no EPSRC-related datasets associated with this publication. NR 107 TC 1 Z9 1 U1 14 U2 29 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0268-1242 EI 1361-6641 J9 SEMICOND SCI TECH JI Semicond. Sci. Technol. PD AUG PY 2016 VL 31 IS 8 AR 083001 DI 10.1088/0268-1242/31/8/083001 PG 22 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA DR9NK UT WOS:000380223200002 ER PT J AU Zhu, YY Munro, CJ Olszta, MJ Edwards, DJ Braunschweig, AB Knecht, MR Browning, ND AF Zhu, Yuanyuan Munro, Catherine J. Olszta, Matthew J. Edwards, Danny J. Braunschweig, Adam B. Knecht, Marc R. Browning, Nigel D. TI Dose-rate controlled energy dispersive x-ray spectroscopic mapping of the metallic components in a biohybrid nanosystem SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY LA English DT Article DE energy dispersive x-ray spectroscopy (EDS); hybrid nanostructure; composition mapping ID TRANSMISSION ELECTRON-MICROSCOPY; SINGLE-ATOM SENSITIVITY; RESOLUTION; NANOPARTICLES; TRANSFORMATIONS; PEPTIDES; DYNAMICS; TEM AB In this work, we showcase that through precise control of the electron dose rate, state-of-the-art large solid angle energy dispersive x-ray spectroscopy mapping in aberration-corrected scanning transmission electron microscope is capable of faithful and unambiguous chemical characterization of the Pt and Pd distribution in a peptide-mediated nanosystem. This low-dose-rate recording scheme adds another dimension of flexibility to the design of elemental mapping experiments, and holds significant potential for extending its application to a wide variety of beam sensitive hybrid nanostructures. C1 [Zhu, Yuanyuan; Browning, Nigel D.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA. [Munro, Catherine J.; Braunschweig, Adam B.; Knecht, Marc R.] Univ Miami, Dept Chem, Coral Gables, FL 33146 USA. [Olszta, Matthew J.; Edwards, Danny J.] Pacific Northwest Natl Lab, Div Nucl Sci, Energy & Environm Directorate, Richland, WA 99352 USA. [Browning, Nigel D.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Zhu, YY (reprint author), Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA. EM yuanyuan.zhu@pnnl.gov FU Department of Energy [DE-AC05-76RLO1830]; Department of Energy's Office of Biological and Environmental Research; Air Force Office of Scientific Research [FA9550-15-1-0232, FA9550-12-1-0226] FX This research is part of the Chemical Imaging Initiative conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL, a multiprogram national laboratory, is operated by Battelle for the Department of Energy under Contract DE-AC05-76RLO1830. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. ABB and MRK are grateful for the Air Force Office of Scientific Research for support (ABB-FA9550-15-1-0232; MRK-FA9550-12-1-0226). NR 34 TC 0 Z9 0 U1 7 U2 8 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0268-1242 EI 1361-6641 J9 SEMICOND SCI TECH JI Semicond. Sci. Technol. PD AUG PY 2016 VL 31 IS 8 AR 084002 DI 10.1088/0268-1242/31/8/084002 PG 6 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA DR9NK UT WOS:000380223200005 ER PT J AU Erdemir, A AF Erdemir, Ali TI The passing of a legend SO TRIBOLOGY & LUBRICATION TECHNOLOGY LA English DT Editorial Material C1 [Erdemir, Ali] Argonne Natl Lab, Lemont, IL 60439 USA. RP Erdemir, A (reprint author), Argonne Natl Lab, Lemont, IL 60439 USA. EM erdemir@anl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU SOC TRIBOLOGISTS & LUBRICATION ENGINEERS PI PARK RIDGE PA 840 BUSSE HIGHWAY, PARK RIDGE, IL 60068 USA SN 1545-858X J9 TRIBOL LUBR TECHNOL JI Tribol. Lubr. Technol. PD AUG PY 2016 VL 72 IS 8 BP 4 EP 4 PG 1 WC Engineering, Mechanical SC Engineering GA DR8YA UT WOS:000380183100001 ER PT J AU Slinkard, M Heck, S Schaff, D Bonal, N Daily, D Young, C Richards, P AF Slinkard, Megan Heck, Stephen Schaff, David Bonal, Nedra Daily, David Young, Christopher Richards, Paul TI Detection of the Wenchuan Aftershock Sequence Using Waveform Correlation with a Composite Regional Network SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID CALIFORNIA HYPOCENTER RELOCATION; EMPIRICAL SIGNAL DETECTORS; CROSS-CORRELATION; 1999 XIUYAN; EARTHQUAKE; CHINA; IMPROVEMENTS; STATISTICS; PRECISION; LOCATION AB Using template waveforms from aftershocks of the Wenchuan earthquake (12 May 2008, M-s 7.9) listed in a global bulletin and continuous data from eight regional stations, we detected more than 6000 additional events in the mainshock source region from 1 May to 12 August 2008. These new detections obey Omori's law, extend the magnitude of completeness downward by 1.1 magnitude units, and lead to a more than fivefold increase in number of known aftershocks compared with the global bulletins published by the International Data Centre and the International Seismological Centre. Moreover, we detected more M > 2 events than were listed by the Sichuan Seismograph Network. Several clusters of these detections were then relocated using the double-difference method, yielding locations that reduced travel-time residuals by a factor of 32 compared with the initial bulletin locations. Our results suggest that using waveform correlation on a few regional stations can find aftershock events very effectively and locate them with precision. C1 [Slinkard, Megan; Heck, Stephen; Bonal, Nedra; Daily, David; Young, Christopher] Sandia Natl Labs, POB 5800,MS0404, Albuquerque, NM 87185 USA. [Schaff, David; Richards, Paul] Lamont Doherty Earth Observ, Seismol 225, 61 Route 9W,POB 1000, Palisades, NY 10964 USA. RP Slinkard, M (reprint author), Sandia Natl Labs, POB 5800,MS0404, Albuquerque, NM 87185 USA. EM meslink@sandia.gov FU U.S. Department of Energy [DE-AC04-94AL85000]; Defense Threat Reduction Agency [HDTRA-1-11-1-00027] FX Some of this work was performed under the auspices of the U.S. Department of Energy by Sandia National Laboratory under Award Number DE-AC04-94AL85000. It was supported also by the Defense Threat Reduction Agency under Award Number HDTRA-1-11-1-00027 to Columbia University. This article is Lamont-Doherty Earth Observatory Contribution Number 8022. We wish to extend our thanks to our reviewers whose feedback made this a better article. NR 31 TC 0 Z9 0 U1 7 U2 7 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2016 VL 106 IS 4 BP 1371 EP 1379 DI 10.1785/0120150333 PG 9 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DR7TK UT WOS:000380102400001 ER PT J AU Yang, XN AF Yang, Xiaoning TI Source Spectra of the First Four Source Physics Experiments (SPE) Explosions from the Frequency-Domain Moment Tensor Inversion SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID NEVADA TEST-SITE; CHEMICAL EXPLOSIONS; NUCLEAR-EXPLOSIONS; SEISMIC SOURCE; SOURCE MODELS; SEISMOGRAMS; CONSTRAINTS; GRANITE AB I used seismic waveforms recorded within 2 km from the epicenter of the first four Source Physics Experiments (SPE) explosions to invert for the moment tensor spectra of these explosions. I employed a 1D Earth model for Green's function calculations. The model was developed from P- and Rg-wave travel times and amplitudes. I selected data for the inversion based on the criterion that they had consistent travel times and amplitude behavior as those predicted by the 1D model. Because of limited azimuthal coverage of the sources and the mostly vertical-component-only nature of the dataset, only long-period, volumetric components of the moment tensor spectra were well constrained. The source spectra, particularly their long-period levels and corner frequencies, could not be fit by traditional explosion source models. To achieve a better fit, I used a model with parameters derived from regressing observed values against source yield and depth. These values were calculated from measured source moments and corner frequencies. Although the number of data points used in the regression is small, the approach suggests a potential way to develop a source model for chemical explosions when more data with wider coverage of yield, depth of burial, and material property are collected. C1 [Yang, Xiaoning] Los Alamos Natl Lab, EES-17,MS F665, Los Alamos, NM 87545 USA. RP Yang, XN (reprint author), Los Alamos Natl Lab, EES-17,MS F665, Los Alamos, NM 87545 USA. EM xyang@lanl.gov FU Los Alamos National Laboratory [DE-AC52-06NA25946] FX Howard Patton of Los Alamos National Laboratory (LANL) thoroughly reviewed the article and offered valuable comments and suggestions. I am grateful for this and for many enlightening discussions with Howard on the subject that resulted in a better research product and a better article. I thank Esteban Rougier of LANL for providing me with processed free-field data from Source Physics Experiments (SPE) explosions. Charlotte Rowe and Howard Patton of LANL constructed the velocity component of the Earth model that I used to calculate the Green's functions. I appreciate the constructive review by Sean Ford, an anonymous reviewer, and Associate Editor Arben Pitarka, that improved the article. The SPE would not have been possible without the support of many people from several organizations. I wish to express my gratitude to the National Nuclear Security Administration, Defense Nuclear Nonproliferation Research and Development (DNN R&D), and the SPE working group, a multi-institutional and interdisciplinary group of scientists and engineers. This work was conducted by Los Alamos National Laboratory under Award Number DE-AC52-06NA25946. NR 30 TC 1 Z9 1 U1 2 U2 2 PU SEISMOLOGICAL SOC AMER PI ALBANY PA 400 EVELYN AVE, SUITE 201, ALBANY, CA 94706-1375 USA SN 0037-1106 EI 1943-3573 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD AUG PY 2016 VL 106 IS 4 BP 1637 EP 1651 DI 10.1785/0120150263 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DR7TK UT WOS:000380102400021 ER PT J AU Landreh, M Sawaya, MR Hipp, MS Eisenberg, DS Wuthrich, K Hartl, FU AF Landreh, M. Sawaya, M. R. Hipp, M. S. Eisenberg, D. S. Wuthrich, K. Hartl, F. U. TI The formation, function and regulation of amyloids: insights from structural biology SO JOURNAL OF INTERNAL MEDICINE LA English DT Review DE chaperones; conformational disease; NMR spectroscopy; prion proteins; protein aggregation; X-ray crystallography ID CELLULAR PRION PROTEIN; MOLECULAR CHAPERONES; NMR STRUCTURE; BETA-2-ALPHA-2 LOOP; EXPANSION PROTEINS; UBIQUITIN SYSTEM; ALPHA-SYNUCLEIN; DISEASES; PROTEOSTASIS; AGGREGATION AB Amyloid diseases are characterized by the accumulation of insoluble, -strand-rich aggregates. The underlying structural conversions are closely associated with cellular toxicity, but can also drive the formation of functional protein assemblies. In recent years, studies in the field of structural studies have revealed astonishing insights into the origins, mechanisms and implications of amyloid formation. Notably, high-resolution crystal structures of peptides in amyloid-like fibrils and prefibrillar oligomers have become available despite their challenging chemical nature. Nuclear magnetic resonance spectroscopy has revealed that dynamic local polymorphisms in the benign form of the prion protein affect the transformation into amyloid fibrils and the transmissibility of prion diseases. Studies of the structures and interactions of chaperone proteins help us to understand how the cellular proteostasis network is able to recognize different stages of aberrant protein folding and prevent aggregation. In this review, we will focus on recent developments that connect the different aspects of amyloid biology and discuss how understanding the process of amyloid formation and the associated defence mechanisms can reveal targets for pharmacological intervention that may become the first steps towards clinically viable treatment strategies. Read more articles from the symposium: Amyloid - a multifaceted player in human health and disease. C1 [Landreh, M.] Univ Oxford, Dept Chem, Oxford, England. [Sawaya, M. R.; Eisenberg, D. S.] UCLA DOE Inst, Howard Hughes Med Inst, Dept Biol Chem, Los Angeles, CA 90095 USA. [Sawaya, M. R.; Eisenberg, D. S.] UCLA DOE Inst, Howard Hughes Med Inst, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Hipp, M. S.; Hartl, F. U.] Max Planck Inst Biochem, Dept Cellular Biochem, Martinsried, Germany. [Wuthrich, K.] ETH, Inst Mol Biol & Biophys, Zurich, Switzerland. [Wuthrich, K.] Scripps Res Inst, Dept Integrat Struct & Computat Biol, La Jolla, CA 92037 USA. [Wuthrich, K.] Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. RP Eisenberg, DS (reprint author), UCLA DOE Inst, Howard Hughes Med Inst, Dept Biol Chem, Los Angeles, CA 90095 USA.; Eisenberg, DS (reprint author), UCLA DOE Inst, Howard Hughes Med Inst, Dept Chem & Biochem, Los Angeles, CA 90095 USA.; Hartl, FU (reprint author), Max Planck Inst Biochem, Dept Cellular Biochem, Martinsried, Germany.; Wuthrich, K (reprint author), ETH, Inst Mol Biol & Biophys, Zurich, Switzerland. EM david@mbi.ucla.edu; kw@mol.biol.ethz.ch; uhartl@biochem.mpg.de OI Sawaya, Michael/0000-0003-0874-9043 NR 70 TC 2 Z9 2 U1 12 U2 27 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0954-6820 EI 1365-2796 J9 J INTERN MED JI J. Intern. Med. PD AUG PY 2016 VL 280 IS 2 BP 164 EP 176 DI 10.1111/joim.12500 PG 13 WC Medicine, General & Internal SC General & Internal Medicine GA DR6WV UT WOS:000380042900004 PM 27237473 ER PT J AU Kapoor, V Elk, M Li, X Domingo, JWS AF Kapoor, V. Elk, M. Li, X. Domingo, J. W. Santo TI Inhibitory effect of cyanide on wastewater nitrification determined using SOUR and RNA-based gene-specific assays SO LETTERS IN APPLIED MICROBIOLOGY LA English DT Article DE ammonia-oxidizing bacteria; cyanide; nitrification; reverse transcriptase-qPCR; substrate (ammonia) specific oxygen uptake rates; wastewater ID NITROSOMONAS-EUROPAEA; TRANSCRIPTIONAL RESPONSES; ACTIVATED-SLUDGE; MICROBIAL COMMUNITIES; NITRIFYING BACTERIA; HEAVY-METALS; EXPRESSION; REMOVAL; CR(VI); CARBON AB The effect of cyanide (CN-) on nitrification was examined with samples from nitrifying bacterial enrichments using two different approaches: by measuring substrate (ammonia) specific oxygen uptake rates (SOUR), and by using RT-qPCR to quantify the transcripts of functional genes involved in nitrification. The nitrifying bioreactor was operated as a continuous reactor with a 24h hydraulic retention time. The samples were exposed in batch vessels to cyanide for a period of 12h. The concentrations of CN- used in the batch assays were 003, 006, 01 and 10mgl(-1). There was considerable decrease in SOUR with increasing dosages of CN-. A decrease of more than 50% in nitrification activity was observed at 01mgl(-1) CN-. Based on the RT-qPCR data, there was notable reduction in the transcript levels of amoA and hao for increasing CN- dosage, which corresponded well with the ammonia oxidation activity measured via SOUR. The inhibitory effect of cyanide may be attributed to the affinity of cyanide to bind ferric haeme proteins, which disrupt protein structure and function. The correspondence between the relative expression offunctional genes and SOUR shown in this study demonstrates the efficacy of RNA-based function-specific assays for better understanding of the effect oftoxic compounds on nitrification activity in wastewater. C1 [Kapoor, V.; Li, X.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. [Kapoor, V.; Li, X.; Domingo, J. W. Santo] US EPA, Off Res & Dev, Cincinnati, OH 45268 USA. [Elk, M.] Pegasus Tech Serv Inc, Cincinnati, OH USA. RP Domingo, JWS (reprint author), US EPA, Off Res & Dev, Cincinnati, OH 45268 USA. EM santodomingo.jorge@epa.gov FU U. S. Environmental Protection Agency (EPA) FX Vikram Kapoor and Xuan Li were supported by U. S. Environmental Protection Agency (EPA) via a post-doctoral appointment administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U. S. Department of Energy and the U. S. EPA. The manuscript has been subjected to the EPA's peer review and has been approved as an EPA publication. Mention of trade names or commercial products does not constitute endorsement or recommendation by the EPA for use. The views expressed in this article are those of the authors and do not necessarily represent the views or policies of the U. S. Environmental Protection Agency. NR 31 TC 0 Z9 0 U1 3 U2 5 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0266-8254 EI 1472-765X J9 LETT APPL MICROBIOL JI Lett. Appl. Microbiol. PD AUG PY 2016 VL 63 IS 2 BP 155 EP 161 DI 10.1111/lam.12603 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA DR7BP UT WOS:000380055300012 PM 27281632 ER PT J AU Avakian, H AF Avakian, Harut TI Studies of the 3D Structure of the Nucleon at JLab SO FEW-BODY SYSTEMS LA English DT Article ID SEMIINCLUSIVE PION ELECTROPRODUCTION; GENERALIZED PARTON DISTRIBUTIONS; VIRTUAL COMPTON-SCATTERING; MUON PROTON-SCATTERING; BEAM-SPIN ASYMMETRIES; AZIMUTHAL DISTRIBUTIONS; FRAGMENTATION; TRANSVERSITY; TARGET AB Studies of the 3D structure of the nucleon encoded in transverse momentum dependent distribution and fragmentation functions of partons and generalized parton distributions are among the key objectives of the JLab 12 GeV upgrade and the electron ion collider. Main challenges in extracting 3D partonic distributions from precision measurements of hard scattering processes include clear understanding of leading twist QCD fundamentals, higher twist effects, and also correlations of hadron production in target and current fragmentation regions. In this contribution we discuss some ongoing studies and future measurements of spin-orbit correlations at Jefferson Lab. C1 [Avakian, Harut] Jefferson Lab, Newport News, VA 23606 USA. RP Avakian, H (reprint author), Jefferson Lab, Newport News, VA 23606 USA. EM avakian@jlab.org NR 62 TC 0 Z9 0 U1 2 U2 2 PU SPRINGER WIEN PI WIEN PA SACHSENPLATZ 4-6, PO BOX 89, A-1201 WIEN, AUSTRIA SN 0177-7963 EI 1432-5411 J9 FEW-BODY SYST JI Few-Body Syst. PD AUG PY 2016 VL 57 IS 8 BP 607 EP 613 DI 10.1007/s00601-016-1118-9 PG 7 WC Physics, Multidisciplinary SC Physics GA DR4CB UT WOS:000379848000001 ER PT J AU Liu, Q Rao, NSV Wang, X AF Liu, Qiang Rao, Nageswara S. V. Wang, Xin TI Staggered Scheduling of Sensor Estimation and Fusion for Tracking Over Long-Haul Links SO IEEE SENSORS JOURNAL LA English DT Article DE Long-haul sensor networks; state estimate fusion; asynchronous and staggered estimation; intra-state and inter-state prediction and retrodiction; mean-square-error (MSE) and root-mean-square-error (RMSE) performance; reporting latency ID OF-SEQUENCE MEASUREMENTS; OPTIMAL UPDATE; NETWORKS; MANAGEMENT; SYSTEMS AB Networked sensing can be found in a multitude of real-world applications. We focus on the communication- and computation-constrained long-haul sensor networks, where sensors are remotely deployed over a vast geographical area to perform certain tasks. Of special interest is a class of such networks where sensors take measurements of one or more dynamic targets and send their state estimates to a remote fusion center via long-haul satellite links. The severe loss and delay over such links can easily reduce the amount of sensor data received by the fusion center, thereby limiting the potential information fusion gain and resulting in suboptimal tracking performance. In this paper, starting with the temporal-domain staggered estimation for an individual sensor, we explore the impact of the so-called intra-state prediction and retrodiction on estimation errors. We then investigate the effect of such estimation scheduling across different sensors on the spatial-domain fusion performance, where the sensing time epochs across sensors are scheduled in an asynchronous and staggered manner. In particular, the impact of communication delay and loss as well as sensor bias on such scheduling is explored by means of numerical and simulation studies that demonstrate the validity of our analysis. C1 [Liu, Qiang; Rao, Nageswara S. V.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Wang, Xin] SUNY Stony Brook, Dept Elect & Comp Engn, Stony Brook, NY 11794 USA. RP Liu, Q (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM liuq1@ornl.gov; raons@ornl.gov; x.wang@stonybrook.edu FU Mathematics of Complex, Distributed, Interconnected Systems Program, Office of Advanced Computing Research, U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725]; Stony Brook University under NSF Award [CNS 1247924]; NSF Award [ECCS 1231800] FX This work was supported by the Mathematics of Complex, Distributed, Interconnected Systems Program, Office of Advanced Computing Research, U.S. Department of Energy, and the SensorNet Project within the Office of Naval Research, through Oak Ridge National Laboratory managed by UT-Battelle, LLC for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725, and through Stony Brook University under NSF Award CNS 1247924 and NSF Award ECCS 1231800. The associate editor coordinating the review of this paper and approving it for publication was Prof. Okyay Kaynak. NR 26 TC 0 Z9 0 U1 0 U2 0 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1530-437X EI 1558-1748 J9 IEEE SENS J JI IEEE Sens. J. PD AUG 1 PY 2016 VL 16 IS 15 BP 6130 EP 6141 DI 10.1109/JSEN.2016.2575099 PG 12 WC Engineering, Electrical & Electronic; Instruments & Instrumentation; Physics, Applied SC Engineering; Instruments & Instrumentation; Physics GA DR8CM UT WOS:000380126000036 ER PT J AU Mendell, MJ Eliseeva, EA Davies, MM Lobscheid, A AF Mendell, M. J. Eliseeva, E. A. Davies, M. M. Lobscheid, A. TI Do classroom ventilation rates in California elementary schools influence standardized test scores? Results from a prospective study SO INDOOR AIR LA English DT Article DE Ventilation; Schools; Learning; Achievement; Children; Indoor air quality ID AIR SUPPLY RATE; CALL-CENTER OPERATORS; CO2 CONCENTRATIONS; WORK PERFORMANCE; CHILDREN RP-1257; QUALITY; HEALTH; ASSOCIATION; RESPONSES; SYMPTOMS AB Limited evidence has associated lower ventilation rates (VRs) in schools with reduced student learning or achievement. We analyzed longitudinal data collected over two school years from 150 classrooms in 28 schools within three California school districts. We estimated daily classroom VRs from real-time indoor carbon dioxide measured by web-connected sensors. School districts provided individual-level scores on standard tests in Math and English, and classroom-level demographic data. Analyses assessing learning effects used two VR metrics: average VRs for 30days prior to tests, and proportion of prior daily VRs above specified thresholds during the year. We estimated relationships between scores and VR metrics in multivariate models with generalized estimating equations. All school districts had median school-year VRs below the California VR standard. Most models showed some positive associations of VRs with test scores; however, estimates varied in magnitude and few 95% confidence intervals excluded the null. Combined-district models estimated statistically significant increases of 0.6 points (P=0.01) on English tests for each 10% increase in prior 30-day VRs. Estimated increases in Math were of similar magnitude but not statistically significant. Findings suggest potential small positive associations between classroom VRs and learning. C1 [Mendell, M. J.; Eliseeva, E. A.; Davies, M. M.; Lobscheid, A.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA USA. [Mendell, M. J.] Calif Dept Publ Hlth, Environm Hlth Lab Branch, 850 Marina Bay Pkwy G365, Richmond, CA 94804 USA. [Eliseeva, E. A.] Integral Ad Sci, New York, NY USA. [Davies, M. M.] Univ Calif Berkeley, Grp Biostat, Berkeley, CA 94720 USA. RP Mendell, MJ (reprint author), Calif Dept Publ Hlth, Environm Hlth Lab Branch, 850 Marina Bay Pkwy G365, Richmond, CA 94804 USA. EM mark.mendell@cdph.ca.gov FU California Energy Commission [600-303-000]; U.S Green Building Council (USGBC) through their Green Building Research Fund FX Funding was provided by the California Energy Commission, Public Interest Energy Research Program, and Buildings End Use Energy Efficiency Program, through contract 600-303-000. This project was also supported by the U.S Green Building Council (USGBC) through their Green Building Research Fund. We thank William Fisk and Michael Apte for their helpful reviews of the manuscript. We also thank the school districts, schools, teachers, and students who made this study possible. NR 28 TC 2 Z9 2 U1 11 U2 18 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0905-6947 EI 1600-0668 J9 INDOOR AIR JI Indoor Air PD AUG PY 2016 VL 26 IS 4 BP 546 EP 557 DI 10.1111/ina.12241 PG 12 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA DR5BB UT WOS:000379916900005 PM 26283474 ER PT J AU Kierepka, EM Unger, SD Keiter, DA Beasley, JC Rhodes, OE Cunningham, FL Piaggio, AJ AF Kierepka, Elizabeth M. Unger, Shem D. Keiter, David A. Beasley, James C. Rhodes, Olin E., Jr. Cunningham, Fred L. Piaggio, Antoinette J. TI Identification of robust microsatellite markers for wild pig fecal DNA SO JOURNAL OF WILDLIFE MANAGEMENT LA English DT Article DE degradation; feces; microsatellites; noninvasive; South Carolina; Sus scrofa; wild pigs ID GENOTYPING ERROR RATES; MIXED-EFFECTS MODELS; POPULATION-SIZE; URSUS-ARCTOS; FERAL SWINE; SUS-SCROFA; NONINVASIVE SAMPLES; CANIS-RUFUS; AMPLIFICATION; COLLECTION AB Collection of fecal samples for use in a genetic capture-mark-recapture framework has become popular as a noninvasive method of monitoring wildlife populations. A major caveat to this process, however, is that fecal samples often yield low quality DNA that is prone to genotyping errors, potentially leading to biases in population parameter estimation. Therefore, considerable care is required to identify robust genetic markers, especially in hot or humid conditions that may accelerate DNA degradation. We identified microsatellite loci in wild pig (Sus scrofa) fecal samples that were robust and informative within warm, humid ecosystems. To examine how degradation affected genotyping success, we sampled pig feces across 5 days and calculated how the number of quantitative polymerase chain reaction (qPCR) cycles required to reach the fluorescent threshold (C-t) changed over time. We identified 17 microsatellite loci that had high polymorphism and amplification success and low genotyping error rates (0-0.050 per locus). In the degradation experiment, C-t increased over the 5 days, but in the absence of rain, the majority of samples produced accurate genotypes after 5 days (2,211/2,550 genotypes). Based on the high amplification success and low error rates, even after 5 days of exposure to warm, humid conditions, these loci are useful for estimating population parameters in pig fecal samples. (c) 2016 The Wildlife Society. C1 [Kierepka, Elizabeth M.; Unger, Shem D.; Rhodes, Olin E., Jr.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Keiter, David A.; Beasley, James C.] Univ Georgia, Savannah River Ecol Lab, Warnell Sch Forestry & Nat Resources, Aiken, SC 29802 USA. [Cunningham, Fred L.] Wildlife Serv, USDA, Mississippi Field Stn, Natl Wildlife Res Ctr, POB 6099, Mississippi State, MS 39762 USA. [Piaggio, Antoinette J.] Wildlife Serv, USDA, Natl Wildlife Res Ctr, 4101 LaPorte Ave, Ft Collins, CO 80521 USA. RP Kierepka, EM (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM liz.kierepka@gmail.com FU University of Georgia Research Foundation; U.S. Department of Agriculture's National Wildlife Research Center [14-7408-1046-CA]; U.S. Department of Energy [DE-FC09-07SR22506] FX We thank the private contractors that culled pigs for this study and field technicians E. K. Bledsoe, K. D. Eckert, and R. L. Juarez for collecting fecal and tissue samples. This work was supported by Cooperative Agreements between the University of Georgia Research Foundation and both the U.S. Department of Agriculture's National Wildlife Research Center (no. 14-7408-1046-CA) and the U.S. Department of Energy (DE-FC09-07SR22506). NR 58 TC 0 Z9 0 U1 9 U2 14 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0022-541X EI 1937-2817 J9 J WILDLIFE MANAGE JI J. Wildl. Manage. PD AUG PY 2016 VL 80 IS 6 BP 1120 EP 1128 DI 10.1002/jwmg.21102 PG 9 WC Ecology; Zoology SC Environmental Sciences & Ecology; Zoology GA DR5RI UT WOS:000379959700016 ER PT J AU Zha, K Busch, S Park, C Miles, PC AF Zha, Kan Busch, Stephen Park, Cheolwoong Miles, Paul C. TI A novel method for correction of temporally and spatially-variant optical distortion in planar particle image velocimetry SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Article DE particle image velocimetry; optical distortion; swirl-plane; re-entrant piston geometry; ray tracing; back-projection; diesel engine ID DIRECT-INJECTION; FLOW STRUCTURE; DIESEL-ENGINE; HIGH-SPEED; FUEL AB In-cylinder flow measurements are necessary to gain a fundamental understanding of swirl-supported, light-duty Diesel engine processes for high thermal efficiency and low emissions. Planar particle image velocimetry (PIV) can be used for non-intrusive, in situ measurement of swirl-plane velocity fields through a transparent piston. In order to keep the flow unchanged from all-metal engine operation, the geometry of the transparent piston must adapt the production-intent metal piston geometry. As a result, a temporally- and spatially-variant optical distortion is introduced to the particle images. To ensure reliable measurement of particle displacements, this work documents a systematic exploration of optical distortion quantification and a hybrid back-projection procedure that combines ray-tracing-based geometric and in situ manual back-projection approaches. The proposed hybrid back-projection method for the first time provides a time-efficient and robust way to process planar PIV measurements conducted in an optical research engine with temporally- and spatially-varying optical distortion. This method is based upon geometric ray tracing and serves as a universal tool for the correction of optical distortion with an arbitrary but axisymmetric piston crown window geometry. Analytical analysis demonstrates that the ignorance of optical distortion change during the PIV laser temporal interval may induce a significant error in instantaneous velocity measurements. With the proposed digital dewarping method, this piston-motion-induced error can be eliminated. Uncertainty analysis with simulated particle images provides guidance on whether to back-project particle images or back-project velocity fields in order to minimize dewarping-induced uncertainties. The optimal implementation is piston-geometry-dependent. For regions with significant change in nominal magnification factor, it is recommended to apply the proposed back-projection approach to particle images prior to PIV interrogation. For regions with significant dewarping-induced particle elongation (E-p > 3), it is recommended to apply the proposed dewarping method to the vector fields resulting from PIV interrogation of raw particle image pairs. C1 [Zha, Kan; Busch, Stephen; Miles, Paul C.] Sandia Natl Labs, Engine Combust Dept, POB 969,MS 9053, Livermore, CA 94551 USA. [Park, Cheolwoong] Korea Inst Machinery & Mat, 156 Gajeongbuk Ro, Daejon 305343, South Korea. RP Zha, K (reprint author), Sandia Natl Labs, Engine Combust Dept, POB 969,MS 9053, Livermore, CA 94551 USA. EM kzha@sandia.gov OI Zha, Kan/0000-0002-5578-1081 FU U.S. Department of Energy, Office of Vehicle Technologies; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Support for this research was provided by the U.S. Department of Energy, Office of Vehicle Technologies. The research was performed at the Combustion Research Facility, Livermore, California. 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. Review comments by Benjamin Matthew Wolk and Wei Zeng are greatly appreciated. NR 22 TC 0 Z9 0 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD AUG PY 2016 VL 27 IS 8 AR 085201 DI 10.1088/0957-0233/27/8/085201 PG 16 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA DR8CA UT WOS:000380124800025 ER PT J AU Wisecaver, JH Alexander, WG King, SB Hittinger, CT Rokas, A AF Wisecaver, Jennifer H. Alexander, William G. King, Sean B. Hittinger, Chris Todd Rokas, Antonis TI Dynamic Evolution of Nitric Oxide Detoxifying Flavohemoglobins, a Family of Single-Protein Metabolic Modules in Bacteria and Eukaryotes SO MOLECULAR BIOLOGY AND EVOLUTION LA English DT Article DE phylogenetics; gene tree-species phylogeny reconciliation; gene innovation; horizontal gene transfer; gene duplication; fungi; Malassezia ID HORIZONTAL GENE-TRANSFER; PHYLOGENETIC TREE SELECTION; MYCOBACTERIUM-TUBERCULOSIS; YEAST FLAVOHEMOGLOBIN; SACCHAROMYCES; DUPLICATIONS; SEQUENCE; GENOME; PROTECTION; TRANSFERS AB Due to their functional independence, proteins that comprise standalone metabolic units, which we name single-protein metabolic modules, may be particularly prone to gene duplication (GD) and horizontal gene transfer (HGT). Flavohemoglobins (flavoHbs) are prime examples of single-protein metabolic modules, detoxifying nitric oxide (NO), a ubiquitous toxin whose antimicrobial properties many life forms exploit, to nitrate, a common source of nitrogen for organisms. FlavoHbs appear widespread in bacteria and have been identified in a handful of microbial eukaryotes, but how the distribution of this ecologically and biomedically important protein family evolved remains unknown. Reconstruction of the evolutionary history of 3,318 flavoHb protein sequences covering the family's known diversity showed evidence of recurrent HGT at multiple evolutionary scales including intrabacterial HGT, as well as HGT from bacteria to eukaryotes. One of the most striking examples of HGT is the acquisition of a flavoHb by the dandruff-and eczema-causing fungus Malassezia from Corynebacterium Actinobacteria, a transfer that growth experiments show is capable of mediating NO resistance in fungi. Other flavoHbs arose via GD; for example, many filamentous fungi possess two flavoHbs that are differentially targeted to the cytosol and mitochondria, likely conferring protection against external and internal sources of NO, respectively. Because single-protein metabolic modules such as flavoHb function independently, readily undergo GD and HGT, and are frequently involved in organismal defense and competition, we suggest that they represent "plug-and-play" proteins for ecological arms races. C1 [Wisecaver, Jennifer H.; King, Sean B.; Rokas, Antonis] Vanderbilt Univ, Dept Biol Sci, 221 Kirkland Hall, Nashville, TN 37235 USA. [Alexander, William G.; Hittinger, Chris Todd] Univ Wisconsin, JF Crow Inst Study Evolut, Lab Genet,Genome Ctr Wisconsin, DOE Great Lakes Bioenergy Res Ctr,Wisconsin Energ, Madison, WI 53706 USA. RP Rokas, A (reprint author), Vanderbilt Univ, Dept Biol Sci, 221 Kirkland Hall, Nashville, TN 37235 USA. EM antonis.rokas@vanderbilt.edu FU National Science Foundation [IOS-1401682, DEB-1442148, DEB-1442113]; DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER) [DE-FC02-07ER64494]; USDA National Institute of Food and Agriculture (Hatch project) [1003258]; Pew Charitable Trusts; Alexander von Humboldt Foundation FX The authors thank members of the Rokas lab for helpful discussions. This work was conducted in part using the resources of the Advanced Computing Center for Research and Education at Vanderbilt University. This material is based upon work supported by the National Science Foundation (http://www.nsf.gov) under Grants IOS-1401682 to J.H.W., DEB-1442148 to C.T.H., and DEB-1442113 to A.R.; in part by the DOE Great Lakes Bioenergy Research Center (DOE Office of Science BER DE-FC02-07ER64494 to C.T.H.), and the USDA National Institute of Food and Agriculture (Hatch project 1003258 to C.T.H.). C.T.H. is a Pew Scholar in the Biomedical Sciences and an Alfred Toepfer Faculty Fellow, supported by the Pew Charitable Trusts and the Alexander von Humboldt Foundation, respectively. NR 55 TC 1 Z9 1 U1 6 U2 6 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0737-4038 EI 1537-1719 J9 MOL BIOL EVOL JI Mol. Biol. Evol. PD AUG PY 2016 VL 33 IS 8 BP 1979 EP 1987 DI 10.1093/molbev/msw073 PG 9 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA DR7UT UT WOS:000380105900008 PM 27189567 ER PT J AU Naranjo, AN McNeely, PM Katsaras, J Robinson, AS AF Naranjo, Andrea N. McNeely, Patrick M. Katsaras, John Robinson, Anne Skaja TI Impact of purification conditions and history on A(2A) adenosine receptor activity: The role of CHAPS and lipids SO PROTEIN EXPRESSION AND PURIFICATION LA English DT Article DE GPCR; Lipids; Detergents; Ligand binding; Cholesterol ID PROTEIN-COUPLED RECEPTOR; MEMBRANE-PROTEINS; STRUCTURAL BIOLOGY; A(2)A RECEPTOR; SOLUTION NMR; SOLUBILIZATION; DETERGENTS; CELLS; STABILIZATION; EXPRESSION AB The adenosine A(2A) receptor (A(2A)R) is a much-studied class A G protein-coupled receptor (GPCR). For biophysical studies, A(2A)R is commonly purified in a detergent mixture of dodecylmaltoside (DDM), 3-(3-cholamidopropyl) dimethylammoniopropane sulfonate (CHAPS), and cholesteryl hemisuccinate (CHS). Here we studied the effects of CHAPS on the ligand binding activity and stability of wild type, full-length human A(2A)R. We also tested the cholesterol requirement for maintaining the active conformation of the receptor when solubilized in detergent micelles. To this end, the receptor was purified using DDM, DDM/CHAPS, or the short hydrocarbon chain lipid 1,2-dihexanoyl-sn-glycero-3-phosphocholine (DHPC, di6:0PC). After solubilization in DDM, DDM/CHAPS, or DHPC micelles, although A(2A)R was found to retain its native-like fold, its binding ability was significantly compromised compared to DDM or DDM/CHAPS with CHS. It therefore appears that although cholesterol is not needed for A(2A)R to retain a native like, a-helical conformation, it may be a critical component for high affinity ligand binding. Further, this result suggests that the conformational differences between the active and inactive protein may be so subtle that commonly used spectroscopic methods are unable to differentiate between the two forms, highlighting the need for activity measurements. The studies presented in this paper also underline the importance of the protein's purification history; i.e., detergents that interact with the protein during purification affect the ligand binding properties of the receptor in an irreversible manner. (C) 2016 Elsevier Inc. All rights reserved. C1 [Naranjo, Andrea N.; McNeely, Patrick M.; Robinson, Anne Skaja] Univ Delaware, Dept Chem & Biomol Engn, Newark, DE 19711 USA. [Robinson, Anne Skaja] Tulane Univ, Lindy Boggs Lab 300, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. [Katsaras, John] Oak Ridge Natl Lab, Neutron Sci Directorate, Biol & Soft Matter Div, Oak Ridge, TN 37831 USA. [Katsaras, John] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Katsaras, John] Oak Ridge Natl Lab, Joint Inst Neutron Sci, Oak Ridge, TN 37831 USA. RP Robinson, AS (reprint author), Tulane Univ, Lindy Boggs Lab 300, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. EM asr@tulane.edu RI Robinson, Anne/H-7894-2012 OI Robinson, Anne/0000-0001-7235-1481 FU National Institutes of Health (National Center for Research Resources) [5P30RR031160-03]; National Institutes of Health (National Institute of General Medical Sciences) [8 P30 GM103519-03]; National Science Foundation [1033268/1249200]; NSF Graduate Research Fellowship Program; Scientific User Facilities Division of the DOE Office of Basic Energy Sciences (BES) [DE-AC05 00OR2275] FX This project was supported by grants from the National Institutes of Health (National Center for Research Resources (5P30RR031160-03) and the National Institute of General Medical Sciences (8 P30 GM103519-03), and from the National Science Foundation (1033268/1249200) and NSF Graduate Research Fellowship Program (ANN). JK is supported through the Scientific User Facilities Division of the DOE Office of Basic Energy Sciences (BES), under contract no. DE-AC05 00OR2275. We also thank Dr. K. Dane Wittrup (Massachusetts Institute of Technology, Cambridge, MA) for the pITy plasmid, Dr. Marlene Jacobson (Merck) for the human adenosine hA2AR gene, Dr. Kelvin Lee (University of Delaware) for assistance with mass spectrometry, Dr. William Wimley (Tulane University) for the use of the circular dichroism equipment, and Dr. Robert F. Standaert (Oak Ridge National Laboratory) for discussions. NR 35 TC 1 Z9 1 U1 8 U2 13 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-5928 EI 1096-0279 J9 PROTEIN EXPRES PURIF JI Protein Expr. Purif. PD AUG PY 2016 VL 124 BP 62 EP 67 DI 10.1016/j.pep.2016.05.015 PG 6 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA DR6CM UT WOS:000379989700008 PM 27241126 ER PT J AU Min, D Arbing, MA Jefferson, RE Bowie, JU AF Min, Duyoung Arbing, Mark A. Jefferson, Robert E. Bowie, James U. TI A simple DNA handle attachment method for single molecule mechanical manipulation experiments SO PROTEIN SCIENCE LA English DT Article DE forced unfolding; magnetic tweezers; optical tweezers; SpyTag; SpyCatcher; protein folding; membrane protein ID FORCE SPECTROSCOPY; PEPTIDE TAG; ENERGY LANDSCAPES; SNARE COMPLEX; PROTEIN; MACHINE; TENSION; BOND; NSF AB Manipulating single molecules and systems of molecules with mechanical force is a powerful technique to examine their physical properties. Applying force requires attachment of the target molecule to larger objects using some sort of molecular tether, such as a strand of DNA. DNA handle attachment often requires difficult manipulations of the target molecule, which can preclude attachment to unstable, hard to obtain, and/or large, complex targets. Here we describe a method for covalent DNA handle attachment to proteins that simply requires the addition of a preprepared reagent to the protein and a short incubation. The handle attachment method developed here provides a facile approach for studying the biomechanics of biological systems. C1 [Min, Duyoung; Arbing, Mark A.; Jefferson, Robert E.; Bowie, James U.] UCLA DOE Inst, Inst Mol Biol, Dept Chem & Biochem, Los Angeles, CA USA. RP Bowie, JU (reprint author), Univ Calif Los Angeles, 611 Charles E Young Dr E, Los Angeles, CA 90095 USA. EM bowie@mbi.ucla.edu FU NIH [R01GM063919] FX Grant sponsor: NIH; Grant number: R01GM063919 (to J.U.B.). NR 42 TC 0 Z9 0 U1 8 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0961-8368 EI 1469-896X J9 PROTEIN SCI JI Protein Sci. PD AUG PY 2016 VL 25 IS 8 BP 1535 EP 1544 DI 10.1002/pro.2952 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DR7GT UT WOS:000380068700017 PM 27222403 ER PT J AU Liu, X Hu, GQ He, HB Liang, C Zhang, W Bai, Z Wu, YY Lin, GF Zhang, XD AF Liu, Xiao Hu, Guoqing He, Hongbo Liang, Chao Zhang, Wei Bai, Zhen Wu, Yeye Lin, Guifeng Zhang, Xudong TI Linking microbial immobilization of fertilizer nitrogen to in situ turnover of soil microbial residues in an agro-ecosystem SO AGRICULTURE ECOSYSTEMS & ENVIRONMENT LA English DT Article DE N-15-labeled fertilizer; Maize residue; Soil amino sugar; Microbial immobilization; Agro-ecosystem ID ELEVATED ATMOSPHERIC PCO(2); TEMPERATE GRASSLAND SOIL; ORGANIC-MATTER; AMINO-SUGARS; LABORATORY CONDITIONS; COMMUNITY STRUCTURE; DECOMPOSITION; BACTERIAL; BIOMASS; CARBON AB Understanding long-term microbial immobilization of nitrogen (N) fertilizer is essential for N management in agricultural soils. Evaluating the transformation and accumulation of N fertilizer into microbial. residues is critical for developing such an understanding due to the requirement of time integrated biomarkers and a N-15-labeling technique. By tracing the dynamics of amino sugars derived from annually applied fertilizer over 8 years, we investigated the influence of continuous maize residue mulching on the temporal immobilization of fertilizer N in an agricultural soil and quantified the turnover of microbial residues in situ. We found that the amino sugar transformation rate from fertilizer N was constant over time in both fertilization-only and maize residue mulching managements, but it was significantly higher in the upper cultivation layer (0-10 cm) after maize residue mulching. Mulching with maize residue facilitated initial fertilizer N transformation, while the subsequent 7-year application maintained the increased transformation rate. Consequently, the accumulation of fertilizer-derived amino sugars increased linearly in both managements within the 8 years of our field experiment. The mean residence time (MRT) of soil amino sugar-N was estimated by using extrapolation and first-order kinetics approaches, respectively. The calculated MRT of amino sugar-N using first-order kinetics (78 and 154 years at 0-10 and 10-20 cm, respectively) was slightly shorter than that estimated by the extrapolation (89 and 165 years at 0-10 and 10-20 cm, respectively) in the fertilization-only management. Mulching with maize residue did not change the MRT of amino sugar-N because maize residue addition enhanced the immobilization of maize residue-derived N or the transformation of indigenous soil N in addition to those of fertilizer N, leading to the same proportion of new N assimilated in microbial residues. (C) 2016 Elsevier B.V. All rights reserved. C1 [Liu, Xiao; Hu, Guoqing; He, Hongbo; Liang, Chao; Zhang, Wei; Bai, Zhen; Wu, Yeye; Lin, Guifeng; Zhang, Xudong] Chinese Acad Sci, Inst Appl Ecol, 72 Wenhua Rd, Shenyang 110016, Peoples R China. [Liu, Xiao; Hu, Guoqing] Univ Chinese Acad Sci, Beijing 100049, Peoples R China. [He, Hongbo] Natl Field Observat & Res Stn Shenyang Agroecosys, Shenyang 110016, Peoples R China. [Liang, Chao] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53706 USA. RP He, HB; Zhang, XD (reprint author), Chinese Acad Sci, Inst Appl Ecol, 72 Wenhua Rd, Shenyang 110016, Peoples R China. EM hehongbo@iae.ac.cn; xdzhang@iae.ac.cn FU National Natural Science Foundation of China [41135024, 41271251]; National Key Research and Development Program; "China Soil Microbiome Initiative: Function and regulation of soil-microbial systems" of the Chinese Academy of Sciences [XDB15040200]; CAS Interdisciplinary Innovation Team Project FX This work was financially supported by the National Natural Science Foundation of China (grant numbers: 41135024 and 41271251), the National Key Research and Development Program, the "China Soil Microbiome Initiative: Function and regulation of soil-microbial systems" of the Chinese Academy of Sciences (grant number: XDB15040200), and the CAS Interdisciplinary Innovation Team Project. NR 42 TC 1 Z9 1 U1 16 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-8809 EI 1873-2305 J9 AGR ECOSYST ENVIRON JI Agric. Ecosyst. Environ. PD AUG 1 PY 2016 VL 229 BP 40 EP 47 DI 10.1016/j.agee.2016.05.019 PG 8 WC Agriculture, Multidisciplinary; Ecology; Environmental Sciences SC Agriculture; Environmental Sciences & Ecology GA DQ7GF UT WOS:000379374200005 ER PT J AU Tai, V Carpenter, KJ Weber, PK Nalepa, CA Perlman, SJ Keeling, PJ AF Tai, Vera Carpenter, Kevin J. Weber, Peter K. Nalepa, Christine A. Perlman, Steve J. Keeling, Patrick J. TI Genome Evolution and Nitrogen Fixation in Bacterial Ectosymbionts of a Protist Inhabiting Wood-Feeding Cockroaches SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID SYMBIOTIC MICROBIAL COMMUNITY; TERMITE-GUT; BACTEROIDALES ECTOSYMBIONTS; PHYLOGENETIC DIVERSITY; ROACH CRYPTOCERCUS; GENES; SEQUENCE; CELL; IDENTIFICATION; ENDOSYMBIONTS AB By combining genomics and isotope imaging analysis using high-resolution secondary ion mass spectrometry (NanoSIMS), we examined the function and evolution of Bacteroidales ectosymbionts of the protist Barbulanympha from the hindguts of the wood-eating cockroach Cryptocercus punctulatus. In particular, we investigated the structure of ectosymbiont genomes, which, in contrast to those of endosymbionts, has been little studied to date, and tested the hypothesis that these ectosymbionts fix nitrogen. Unlike with most obligate endosymbionts, genome reduction has not played a major role in the evolution of the Barbulanympha ectosymbionts. Instead, interaction with the external environment has remained important for this symbiont as genes for synthesis of transporters, outer membrane proteins, lipopolysaccharides, and lipoproteins have been retained. The ectosymbiont genome carried two complete operons for nitrogen fixation, a urea transporter, and a urease, indicating the availability of nitrogen as a driving force behind the symbiosis. NanoSIMS analysis of C. punctulatus hindgut symbionts exposed in vivo to N-15(2) supports the hypothesis that Barbulanympha ectosymbionts are capable of nitrogen fixation. This genomic and in vivo functional investigation of protist ectosymbionts highlights the diversity of evolutionary forces and trajectories that shape symbiotic interactions. IMPORTANCE The ecological and evolutionary importance of symbioses is increasingly clear, but the overall diversity of symbiotic interactions remains poorly explored. In this study, we investigated the evolution and nitrogen fixation capabilities of ectosymbionts attached to the protist Barbulanympha from the hindgut of the wood-eating cockroach Cryptocercus punctulatus. In addressing genome evolution of protist ectosymbionts, our data suggest that the ecological pressures influencing the evolution of extracellular symbionts clearly differ from intracellular symbionts and organelles. Using NanoSIMS analysis, we also obtained direct imaging evidence of a specific hindgut microbe playing a role in nitrogen fixation. These results demonstrate the power of combining NanoSIMS and genomics tools for investigating the biology of uncultivable microbes. This investigation paves the way for a more precise understanding of microbial interactions in the hindguts of wood-eating insects and further exploration of the diversity and ecological significance of symbiosis between microbes. C1 [Tai, Vera; Keeling, Patrick J.] Univ British Columbia, Dept Bot, Vancouver, BC, Canada. [Carpenter, Kevin J.; Weber, Peter K.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Nalepa, Christine A.] North Carolina State Univ, Dept Entomol, Raleigh, NC 27695 USA. [Perlman, Steve J.] Univ Victoria, Dept Biol, Victoria, BC, Canada. [Tai, Vera; Perlman, Steve J.; Keeling, Patrick J.] Canadian Inst Adv Res, Integrated Microbial Biodivers Program, Toronto, ON, Canada. [Tai, Vera] St Pauls Hosp, BC Ctr Excellence HIV AIDS, Vancouver, BC, Canada. [Carpenter, Kevin J.] Calif State Polytech Univ Pomona, Dept Biol Sci, Pomona, CA 91768 USA. RP Tai, V (reprint author), Univ British Columbia, Dept Bot, Vancouver, BC, Canada.; Tai, V (reprint author), Canadian Inst Adv Res, Integrated Microbial Biodivers Program, Toronto, ON, Canada.; Tai, V (reprint author), St Pauls Hosp, BC Ctr Excellence HIV AIDS, Vancouver, BC, Canada. EM vtai@cfenet.ubc.ca FU Natural Sciences and Engineering Research Council of Canada (NSERC) [227301]; LLNL Laboratory Directed Research and Development grant [011-LW-039]; DOE Genome Sciences Program [SCW1039]; NSERC; Canadian Institute for Advanced Research (CIFAR) FX This work was supported by a grant (227301) to Patrick Keeling from the Natural Sciences and Engineering Research Council of Canada (NSERC). NanoSIMS work was supported by an LLNL Laboratory Directed Research and Development grant (011-LW-039) to Kevin Carpenter. Peter Weber at LLNL was funded in part by DOE Genome Sciences Program grant SCW1039. Vera Tai was supported as a Global Scholar with the Canadian Institute for Advanced Research (CIFAR) and through a Postdoctoral Fellowship from NSERC. CIFAR supports Patrick Keeling as a Senior Fellow and Steve Perlman as a Fellow of the Integrated Microbial Biodiversity Program. NR 81 TC 0 Z9 0 U1 8 U2 16 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 EI 1098-5336 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD AUG PY 2016 VL 82 IS 15 BP 4682 EP 4695 DI 10.1128/AEM.00611-16 PG 14 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA DR2ZK UT WOS:000379772200021 PM 27235430 ER PT J AU de Sisternes, FJ Jenkins, JD Botterud, A AF de Sisternes, Fernando J. Jenkins, Jesse D. Botterud, Audun TI The value of energy storage in decarbonizing the electricity sector SO APPLIED ENERGY LA English DT Article DE Energy storage; Climate change; Decarbonization; Renewable energy integration; Capacity planning ID WIND POWER; MARKET; SYSTEMS; PRICE AB Electrical energy storage could play an important role in decarbonizing the electricity sector by offering a new, carbon-free source of operational flexibility, improving the utilization of generation assets, and facilitating the integration of variable renewable energy sources. Yet, the future cost of energy storage technologies is uncertain, and the value that they can bring to the System depends on multiple factors. Moreover, the marginal value of storage diminishes as more energy storage capacity is deployed. To explore the potential value of energy storage in deep decarbonization of the electricity sector, we assess the impact of increasing levels of energy storage capacity on both power system operations and investments in generation capacity using a generation capacity expansion model with detailed unit commitment constraints. In a case study of a system with load and renewable resource characteristics from the U.S. state of Texas, we find that energy storage delivers value by increasing the cost-effective penetration of renewable energy, reducing total investments In nuclear power and gas-fired peaking units, and improving the utilization of all installed capacity. However, we find that the value delivered by energy storage with a 2-hour storage capacity only exceeds current technology costs under strict emissions limits, implying that substantial cost reductions in battery storage are needed to justify large-scale deployment. In contrast, storage resources with a 10-hour storage capacity deliver value consistent with the current cost of pumped hydroelectric storage. In general, while energy storage appears essential to enable decarbonization strategies dependent on very high shares of wind and solar energy, storage is not a requisite if a diverse mix of flexible, low-carbon power sources is employed, including flexible nuclear power. (C) 2016 Elsevier Ltd. All rights reserved. C1 [de Sisternes, Fernando J.; Jenkins, Jesse D.] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave,Bldg 362, Argonne, IL 60439 USA. [de Sisternes, Fernando J.; Jenkins, Jesse D.] MIT, MIT Energy Initiat, 77 Massachusetts Ave,E19-307, Cambridge, MA 02139 USA. RP de Sisternes, FJ; Jenkins, JD (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave,Bldg 362, Argonne, IL 60439 USA.; de Sisternes, FJ; Jenkins, JD (reprint author), MIT, MIT Energy Initiat, 77 Massachusetts Ave,E19-307, Cambridge, MA 02139 USA. EM ferds@anl.gov; jessedj@mit.edu FU U.S. Department of Energy Office of Science laboratory [DE AC02-06CH11357]; U.S. National Science Foundation FX The authors would like to thank J.I. Perez-Arriaga and two, anonymous reviewers for helpful comments and review. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE AC02-06CH11357. J.D.J. also gratefully acknowledges support from the U.S. National Science Foundation Graduate Research Fellowship program. NR 55 TC 5 Z9 5 U1 15 U2 28 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD AUG 1 PY 2016 VL 175 BP 368 EP 379 DI 10.1016/j.apenergy.2016.05.014 PG 12 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DQ7EX UT WOS:000379370800033 ER PT J AU Li, Y Shi, Y Mehio, N Tan, MS Wang, ZY Hu, XH Chen, GZ Dai, S Jin, XB AF Li, Yan Shi, Yan Mehio, Nada Tan, Mingsheng Wang, Zhiyong Hu, Xiaohong Chen, George Z. Dai, Sheng Jin, Xianbo TI More sustainable electricity generation in hot and dry fuel cells with a novel hybrid membrane of Nafion/nano-silica/hydroxyl ionic liquid SO APPLIED ENERGY LA English DT Article; Proceedings Paper CT 2nd International Conference on Electrochemical Energy Science and Technology (EEST) CY AUG 16-22, 2015 CL Vancouver, CANADA SP Int Acad Electrochem Energy Sci, Tianjin Univ DE Proton exchange membranes; Hydroxyl ionic liquids; Hydrogen-bonds; Nafion; Intermediate-temperature fuel cells ID POLYMER ELECTROLYTE; COMPOSITE MEMBRANES; POLYBENZIMIDAZOLE MEMBRANES; PERFORMANCE ANALYSIS; TEMPERATURE; CONDUCTIVITY; SYSTEM; TRIFLUOROMETHANESULFONATE; WATER; 1-BUTYL-3-METHYLIMIDAZOLIUM AB A new hybrid proton exchange membrane (PEM) has been prepared from hydroxyl functionalized imidazolium ionic liquid (IL-OH), Nafion and nano-SiO2. The IL-OH, with a hydroxyl group that acts as both a proton acceptor and donor, forms strong hydrogen bonds with both Nafion and nano-SiO2, resulting in an effective hydrogen bond network in the ternary membrane. Such an anhydrous hydrogen-bond network, which is unknown previously, endows the PEMs with higher proton conductivity, greater thermal stability and surprisingly a more robust mechanical performance than PEMs consisting of conventional ionic liquids. The resulting PEMs have a tensile strength that is more than twice as strong as recast Nafion and an anhydrous ionic conductivity of similar to 55 mS cm(-1) at temperatures above 160 degrees C, with a proton transfer number of similar to 0.9. A laboratory assembled H-2-O-2 fuel cell employing this new PEM delivered a power density of 340 and 420 mW cm(-2) at 160 and 180 degrees C, respectively. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Li, Yan; Shi, Yan; Tan, Mingsheng; Wang, Zhiyong; Hu, Xiaohong; Chen, George Z.; Jin, Xianbo] Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China. [Mehio, Nada; Dai, Sheng; Jin, Xianbo] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Chen, George Z.] Univ Nottingham Ningbo China, Dept Chem & Environm Engn, Ningbo 315100, Zhejiang, Peoples R China. RP Jin, XB (reprint author), Wuhan Univ, Coll Chem & Mol Sci, Wuhan 430072, Peoples R China. EM xbjin@whu.edu.cn RI Dai, Sheng/K-8411-2015; Chen, George/A-4577-2009; OI Dai, Sheng/0000-0002-8046-3931; Chen, George/0000-0002-5589-5767; Jin, Xianbo/0000-0002-3095-8979 NR 56 TC 3 Z9 3 U1 22 U2 43 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0306-2619 EI 1872-9118 J9 APPL ENERG JI Appl. Energy PD AUG 1 PY 2016 VL 175 BP 451 EP 458 DI 10.1016/j.apenergy.2016.03.075 PG 8 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA DQ7EX UT WOS:000379370800042 ER PT J AU Hogle, S Boll, RA Murphy, K Denton, D Owens, A Haverlock, TJ Garland, M Mirzadeh, S AF Hogle, Susan Boll, Rose Ann Murphy, Karen Denton, David Owens, Allison Haverlock, Tamara J. Garland, Marc Mirzadeh, Saed TI Reactor production of Thorium-229 SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Thorium-229; Thorium-228; Actinium-225; Actinium-227; Radium-226; Radium-228; Neutron reactions; Isochain; High flux isotope reactor ID TARGETED ALPHA-THERAPY; AC-225; RA-223; DECAY AB Limited availability of Th-229 for clinical applications of Bi-213 necessitates investigation of alternative production routes. In reactor production, Th-229 is produced from neutron transmutation of Ra-226, Ra-228, Ac-227 and Th-228. Irradiations of Ra-226, Ra-228,and (227)AC targets at the Oak Ridge National Laboratory High Flux Isotope Reactor result in yields of Th-229 at 26 days of 74.0 +/- 7.4 MBq/g, 260 +/- 10 MBq/g, and 1200 +/- 50 MBq/g, respectively. Intermediate radionuclide yields and cross sections are also studied. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Hogle, Susan; Boll, Rose Ann; Murphy, Karen; Denton, David; Owens, Allison; Garland, Marc; Mirzadeh, Saed] Oak Ridge Natl Lab, Div Nucl Secur, Oak Ridge, TN 37831 USA. [Hogle, Susan; Boll, Rose Ann; Murphy, Karen; Denton, David; Owens, Allison; Garland, Marc; Mirzadeh, Saed] Oak Ridge Natl Lab, Div Isotopes Technol, Oak Ridge, TN 37831 USA. [Haverlock, Tamara J.] Oak Ridge Natl Lab, Chem Sci, Oak Ridge, TN 37831 USA. [Garland, Marc] US DOE Germantown, Germantown, MD USA. RP Hogle, S (reprint author), Oak Ridge Natl Lab, Div Nucl Secur, Oak Ridge, TN 37831 USA.; Hogle, S (reprint author), Oak Ridge Natl Lab, Div Isotopes Technol, Oak Ridge, TN 37831 USA. EM Hoglesl@ornl.gov RI Boll, Rose/C-4138-2016 OI Boll, Rose/0000-0003-2507-4834 FU Isotope Program, Office of Nuclear Physics of the U.S. Department of Energy; U.S. Department of Energy [DE-AC05-00OR22725] FX This research is supported by the Isotope Program, Office of Nuclear Physics of the U.S. Department of Energy. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. NR 23 TC 1 Z9 1 U1 4 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2016 VL 114 BP 19 EP 27 DI 10.1016/j.apradiso.2016.05.002 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 DQ9WJ UT WOS:000379559700004 PM 27163437 ER PT J AU Gott, MD Hayes, CR Wycoff, DE Balkin, ER Smith, BE Pauzauskie, PJ Fassbender, ME Cutler, CS Ketring, AR Wilbur, DS Jurisson, SS AF Gott, Matthew D. Hayes, Connor R. Wycoff, Donald E. Balkin, Ethan R. Smith, Bennett E. Pauzauskie, Peter J. Fassbender, Michael E. Cutler, Cathy S. Ketring, Alan R. Wilbur, D. Scott Jurisson, Silvia S. TI Accelerator-based production of the Tc-99m-Re-186 diagnostic-therapeutic pair using metal disulfide targets (MoS2, WS2, OsS2) SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE Metal disulfide targets; WS2; OsS2; MoS2; High specific activity Re-186; High specific activity Tc-99m ID INDUCED NUCLEAR-REACTIONS; EXCITATION-FUNCTIONS; CROSS-SECTIONS; CYCLOTRON PRODUCTION; NATURAL TUNGSTEN; RE-186; MOLYBDENUM; REACTOR; PERRHENATE; SPECTRA AB Novel, natural abundance metal disulfide targets were irradiated for 1 h with a 10 mu A proton beam in a small, medical cyclotron. Osmium disulfide was synthesized by simple distillation and precipitation methods while MoS2 and WS2 were commercially available. The targets dissolved under mild conditions and were analyzed by gamma-spectroscopy. Production rates and potential applications are discussed, including target recovery and recycling schemes for OsS2 and WS2. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Gott, Matthew D.; Hayes, Connor R.; Wycoff, Donald E.; Jurisson, Silvia S.] Univ Missouri, Dept Chem, Columbia, MO 65211 USA. [Cutler, Cathy S.; Ketring, Alan R.] Univ Missouri, Res Reactor Ctr, Columbia, MO 65211 USA. [Balkin, Ethan R.; Wilbur, D. Scott] Univ Washington, Dept Radiat Oncol, Seattle, WA 98105 USA. [Smith, Bennett E.] Univ Washington, Dept Chem, Seattle, WA 98105 USA. [Pauzauskie, Peter J.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98105 USA. [Fassbender, Michael E.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Gott, Matthew D.] Helmholtz Zentrum Dresden Rossendorf, Inst Radiopharmaceut Canc Res, D-01328 Dresden, Germany. [Cutler, Cathy S.] Brookhaven Natl Lab, Med Isotope Res & Prod Program MIRP, Collier Accelerator Dept, Upton, NY 11973 USA. [Balkin, Ethan R.] US DOE, Isotope Program, Off Sci, Off Nucl Phys, Germantown Bldg,SC 26-2,1000 Independence Ave, Washington, DC 20585 USA. RP Jurisson, SS (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA. EM jurissons@missouri.edu FU United States Department of Energy through the Office of Science, Nuclear Physics, Isotope Program [DE-SC0007348]; National Science Foundation under IGERT award [DGE-0965983]; University of Washington; Molecular Engineering & Sciences Institute; Clean Energy Institute; National Institutes of Health; National Science Foundation FX We would like to acknowledge the support of the United States Department of Energy through the Office of Science, Nuclear Physics, Isotope Program (DE-SC0007348) and trainee support from the National Science Foundation under IGERT award DGE-0965983 (M.D. Gott) for funding this work. The authors would like to thank the University of Missouri Research Reactor staff for conducting the irradiations necessary for this research. The XRD measurements were conducted at the Molecular Analysis Facility at the University of Washington, which is supported in part by funds from the University of Washington, the Molecular Engineering & Sciences Institute, the Clean Energy Institute, the National Science Foundation and the National Institutes of Health. NR 31 TC 0 Z9 0 U1 6 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD AUG PY 2016 VL 114 BP 159 EP 166 DI 10.1016/j.apradiso.2016.05.024 PG 8 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA DQ9WJ UT WOS:000379559700022 PM 27236832 ER PT J AU Druwe, IL Burgoon, L AF Druwe, Ingrid L. Burgoon, Lyle TI Revisiting Cohen et al. 2015, Cohen et al. 2014 and Waalkes et al. 2014: a bayesian re-analysis of tumor incidences SO ARCHIVES OF TOXICOLOGY LA English DT Letter ID EXPOSURE; MICE C1 [Druwe, Ingrid L.] US EPA, Oak Ridge Inst Sci & Educ, Natl Ctr Environm Assessment, Vicksburg, MS USA. [Burgoon, Lyle] US Army, Engineer Res & Dev Ctr, Environm Lab, Res Triangle Pk, NC 27709 USA. RP Burgoon, L (reprint author), US Army, Engineer Res & Dev Ctr, Environm Lab, Res Triangle Pk, NC 27709 USA. EM lyle.d.burgoon@usace.army.mil OI Burgoon, Lyle/0000-0003-4977-5352 NR 3 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 0340-5761 EI 1432-0738 J9 ARCH TOXICOL JI Arch. Toxicol. PD AUG PY 2016 VL 90 IS 8 BP 2047 EP 2048 DI 10.1007/s00204-016-1749-0 PG 2 WC Toxicology SC Toxicology GA DQ5OK UT WOS:000379254500021 PM 27325233 ER PT J AU Abe, K Haga, Y Hayato, Y Ikeda, M Iyogi, K Kameda, J Kishimoto, Y Miura, M Moriyama, S Nakahata, M Nakano, Y Nakayama, S Sekiya, H Shiozawa, M Suzuki, Y Takeda, A Tanaka, H Tomura, T Ueno, K Wendell, RA Yokozawa, T Irvine, T Kajita, T Kametani, I Kaneyuki, K Lee, KP McLachlan, T Nishimura, Y Richard, E Okumura, K Labarga, L Fernandez, P Berkman, S Tanaka, HA Tobayama, S Gustafson, J Kearns, E Raaf, JL Stone, JL Sulak, LR Goldhaber, M Carminati, G Kropp, WR Mine, S Weatherly, P Renshaw, A Smy, MB Sobel, HW Takhistov, V Ganezer, KS Hartfiel, BL Hill, J Keig, WE Hong, N Kim, JY Lim, IT Akiri, T Himmel, A Scholberg, K Walter, CW Wongjirad, T Ishizuka, T Tasaka, S Jang, JS Learned, JG Matsuno, S Smith, SN Hasegawa, T Ishida, T Ishii, T Kobayashi, T Nakadaira, T Nakamura, K Oyama, Y Sakashita, K Sekiguchi, T Tsukamoto, T Suzuki, AT Takeuchi, Y Bronner, C Hirota, S Huang, K Ieki, K Kikawa, T Minamino, A Murakami, A Nakaya, T Suzuki, K Takahashi, S Tateishi, K Fukuda, Y Choi, K Itow, Y Mitsuka, G Mijakowski, P Hignight, J Imber, J Jung, CK Yanagisawa, C Wilking, MJ Ishino, H Kibayashi, A Koshio, Y Mori, T Sakuda, M Yamaguchi, R Yano, T Kuno, Y Tacik, R Kim, SB Okazawa, H Choi, Y Nishijima, K Koshiba, M Suda, Y Totsuka, Y Yokoyama, M Martens, K Marti, L Vagins, MR Martin, JF de Perio, P Konaka, A Chen, S Zhang, Y Connolly, K Wilkes, RJ AF Abe, K. Haga, Y. Hayato, Y. Ikeda, M. Iyogi, K. Kameda, J. Kishimoto, Y. Miura, M. Moriyama, S. Nakahata, M. Nakano, Y. Nakayama, S. Sekiya, H. Shiozawa, M. Suzuki, Y. Takeda, A. Tanaka, H. Tomura, T. Ueno, K. Wendell, R. A. Yokozawa, T. Irvine, T. Kajita, T. Kametani, I. Kaneyuki, K. Lee, K. P. McLachlan, T. Nishimura, Y. Richard, E. Okumura, K. Labarga, L. Fernandez, P. Berkman, S. Tanaka, H. A. Tobayama, S. Gustafson, J. Kearns, E. Raaf, J. L. Stone, J. L. Sulak, L. R. Goldhaber, M. Carminati, G. Kropp, W. R. Mine, S. Weatherly, P. Renshaw, A. Smy, M. B. Sobel, H. W. Takhistov, V. Ganezer, K. S. Hartfiel, B. L. Hill, J. Keig, W. E. Hong, N. Kim, J. Y. Lim, I. T. Akiri, T. Himmel, A. Scholberg, K. Walter, C. W. Wongjirad, T. Ishizuka, T. Tasaka, S. Jang, J. S. Learned, J. G. Matsuno, S. Smith, S. N. Hasegawa, T. Ishida, T. Ishii, T. Kobayashi, T. Nakadaira, T. Nakamura, K. Oyama, Y. Sakashita, K. Sekiguchi, T. Tsukamoto, T. Suzuki, A. T. Takeuchi, Y. Bronner, C. Hirota, S. Huang, K. Ieki, K. Kikawa, T. Minamino, A. Murakami, A. Nakaya, T. Suzuki, K. Takahashi, S. Tateishi, K. Fukuda, Y. Choi, K. Itow, Y. Mitsuka, G. Mijakowski, P. Hignight, J. Imber, J. Jung, C. K. Yanagisawa, C. Wilking, M. J. Ishino, H. Kibayashi, A. Koshio, Y. Mori, T. Sakuda, M. Yamaguchi, R. Yano, T. Kuno, Y. Tacik, R. Kim, S. B. Okazawa, H. Choi, Y. Nishijima, K. Koshiba, M. Suda, Y. Totsuka, Y. Yokoyama, M. Martens, K. Marti, Ll. Vagins, M. R. Martin, J. F. de Perio, P. Konaka, A. Chen, S. Zhang, Y. Connolly, K. Wilkes, R. J. TI Real-time supernova neutrino burst monitor at Super-Kamiokande SO ASTROPARTICLE PHYSICS LA English DT Article DE Supernova; Neutrinos; Super-Kamiokande ID UNDERGROUND SCINTILLATION TELESCOPE; LARGE-MAGELLANIC-CLOUD; LIGHT-CURVE; DETECTOR; COLLAPSE; SN1987A; SYSTEM; STARS; 1987A AB We present a real-time supernova neutrino burst monitor at Super-Kamiokande (SIC). Detecting supernova explosions by neutrinos in real time is crucial for giving a clear picture of the explosion mechanism. Since the neutrinos are expected to come earlier than light, a fast broadcasting of the detection may give astronomers a chance to make electromagnetic radiation observations of the explosions right at the onset. The role of the monitor includes a fast announcement of the neutrino burst detection to the world and a determination of the supernova direction. We present the online neutrino burst detection system and studies of the direction determination accuracy based on simulations at SK. (C) 2016 Elsevier B.V. All rights reserved. C1 [Abe, K.; Haga, Y.; Hayato, Y.; Ikeda, M.; Iyogi, K.; Kameda, J.; Kishimoto, Y.; Miura, M.; Moriyama, S.; Nakahata, M.; Nakano, Y.; Nakayama, S.; Sekiya, H.; Shiozawa, M.; Suzuki, Y.; Takeda, A.; Tanaka, H.; Tomura, T.; Ueno, K.; Wendell, R. A.; Yokozawa, T.; Koshiba, M.] Univ Tokyo, Inst Cosm Ray Res, Kamioka Observ, Kamioka, Gifu 5061205, Japan. [Irvine, T.; Kajita, T.; Kametani, I.; Kaneyuki, K.; Lee, K. P.; McLachlan, T.; Nishimura, Y.; Richard, E.; Okumura, K.; Suda, Y.; Totsuka, Y.; Yokoyama, M.; Martens, K.] Univ Tokyo, Inst Cosm Ray Res, Res Ctr Cosm Neutrinos, Kashiwa, Chiba 2778582, Japan. [Abe, K.; Hayato, Y.; Ikeda, M.; Kameda, J.; Kishimoto, Y.; Miura, M.; Moriyama, S.; Nakahata, M.; Nakayama, S.; Sekiya, H.; Shiozawa, M.; Suzuki, Y.; Takeda, A.; Tanaka, H.; Tomura, T.; Wendell, R. A.; Kajita, T.; Kaneyuki, K.; Okumura, K.; Labarga, L.; Fernandez, P.; Berkman, S.; Kearns, E.; Stone, J. L.; Smy, M. B.; Sobel, H. W.; Scholberg, K.; Walter, C. W.; Nakamura, K.; Takeuchi, Y.; Nakaya, T.; Koshio, Y.; Martens, K.; Marti, Ll.; Vagins, M. R.; Martin, J. F.] Univ Autonoma Madrid, Dept Theoret Phys, E-28049 Madrid, Spain. [Gustafson, J.; Kearns, E.; Raaf, J. L.; Stone, J. L.; Sulak, L. R.; de Perio, P.; Konaka, A.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Berkman, S.; Tanaka, H. A.; Tobayama, S.; Tacik, R.; Chen, S.] Univ British Columbia, Dept Phys & Astron, Vancouver, BC V6T1Z4, Canada. [Goldhaber, M.; Zhang, Y.; Connolly, K.] Dept Phys, Brookhaven Natl Lab, Upton, NY 11973 USA. [Carminati, G.; Kropp, W. R.; Mine, S.; Weatherly, P.; Renshaw, A.; Smy, M. B.; Sobel, H. W.; Takhistov, V.; Martin, J. F.; Wilkes, R. J.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Ganezer, K. S.; Hartfiel, B. L.; Hill, J.; Keig, W. E.; Mijakowski, P.] Calif State Univ Dominguez Hills, Dept Phys, Carson, CA 90747 USA. [Hong, N.; Kim, J. Y.; Lim, I. T.] Chonnam Natl Univ, Dept Phys, Kwangju 500757, South Korea. [Akiri, T.; Himmel, A.; Scholberg, K.; Walter, C. W.; Wongjirad, T.] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Ishizuka, T.] Fukuoka Inst Technol, Jr Coll, Fukuoka, Fukuoka 8110295, Japan. [Tasaka, S.] Gifu Univ, Dept Phys, Gifu 5011193, Japan. [Jang, J. S.] Gwangju Inst Sci & Technol, GIST Coll, Gwangju 500712, South Korea. [Learned, J. G.; Matsuno, S.; Smith, S. N.] Univ Hawaii, Dept Phys & Astron, Honolulu, HI 96822 USA. [Hasegawa, T.; Ishida, T.; Ishii, T.; Kobayashi, T.; Nakadaira, T.; Nakamura, K.; Oyama, Y.; Sakashita, K.; Sekiguchi, T.; Tsukamoto, T.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Takeuchi, Y.] Kobe Univ, Dept Phys, Kobe, Hyogo 6578501, Japan. [Bronner, C.; Hirota, S.; Huang, K.; Ieki, K.; Kikawa, T.; Minamino, A.; Murakami, A.; Nakaya, T.; Suzuki, K.; Takahashi, S.; Tateishi, K.] Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. [Fukuda, Y.] Miyagi Univ Educ, Dept Phys, Sendai, Miyagi 9800845, Japan. [Choi, K.; Itow, Y.; Mitsuka, G.] Nagoya Univ, Solar Terr Environm Lab, Nagoya, Aichi 4648602, Japan. [Hignight, J.; Imber, J.; Jung, C. K.; Yanagisawa, C.; Wilking, M. J.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Ishino, H.; Kibayashi, A.; Koshio, Y.; Mori, T.; Sakuda, M.; Yamaguchi, R.; Yano, T.] Okayama Univ, Dept Phys, Okayama 7008530, Japan. [Kuno, Y.] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Tacik, R.] Univ Regina, Dept Phys, 3737 Wascana Pkwy, Regina, SK S4SOA2, Canada. [Kim, S. B.] Seoul Natl Univ, Dept Phys, Seoul 151742, South Korea. [Okazawa, H.] Shizuoka Univ Welf, Dept Informat Social Welf, Shizuoka 4258611, Japan. [Choi, Y.] Sungkyunkwan Univ, Dept Phys, Suwon 440746, South Korea. [Nishijima, K.] Tokai Univ, Dept Phys, Hiratsuka, Kanagawa 2591292, Japan. [Koshiba, M.; Suda, Y.; Totsuka, Y.; Yokoyama, M.] Univ Tokyo, Bunkyo Ku, Tokyo 1130033, Japan. [Yokoyama, M.; Martens, K.; Marti, Ll.; Vagins, M. R.] Univ Tokyo, Inst Adv Study, Kavli Inst Phys & Math Universe WPI, Kashiwa, Chiba 2778583, Japan. [Martin, J. F.; de Perio, P.] Univ Torront, Dept Phys, 60 St, Torront, ON M5S1A7, Canada. [Konaka, A.] TRIUMF, 4004 Wesbrook Mall, Vancouver, BC V6T 2A3, Canada. [Chen, S.; Zhang, Y.] Tsinghua Univ, Dept Engn Phys, Beijing 100084, Peoples R China. [Connolly, K.; Wilkes, R. J.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Mijakowski, P.] Natl Ctr Nucl Res, PL-00681 Warsaw, Poland. RP Ishino, H (reprint author), Okayama Univ, Dept Phys, Okayama 7008530, Japan. EM scishino@s.olcayama-u.ac.jp RI Ishino, Hirokazu/C-1994-2015; Koshio, Yusuke/C-2847-2015; Nakano, Yuuki/S-2684-2016 OI Ishino, Hirokazu/0000-0002-8623-4080; Koshio, Yusuke/0000-0003-0437-8505; FU Japanese Ministry of Education, Culture, Sports, Science and Technology; U.S. Department of Energy; U.S. National Science Foundation; Research Foundation of Korea (BK21); Research Foundation of Korea (KNRC); Korean Ministry of Science and Technology; National Research Foundation of Korea (NRF) [20110024009]; European Union [RISE-GA641540-SKPLUS]; Japan Society for the Promotion of Science; National Natural Science Foundation of China [11235006]; Natural Sciences and Engineering Research Council (NSERC) of Canada; Scinet and Westgrid consortia of Compute Canada; JSPS [26104006] FX We gratefully, acknowledge the cooperation of the Kamioka Mining and Smelting Company. The Super-Kamiokande experiment has been built and operated from funding by the Japanese Ministry of Education, Culture, Sports, Science and Technology, the U.S. Department of Energy, and the U.S. National Science Foundation. Some of us have been supported by funds from the Research Foundation of Korea (BK21 and KNRC), the Korean Ministry of Science and Technology, the National Research Foundation of Korea (NRF- 20110024009), the European Union (H2020 RISE-GA641540-SKPLUS), the Japan Society for the Promotion of Science, the National Natural Science Foundation of China under Grant no. 11235006, the Natural Sciences and Engineering Research Council (NSERC) of Canada, and the Scinet and Westgrid consortia of Compute Canada. This work was partly supported by the Grant-in-Aid for Scientific Research on Innovative Areas [JSPS No. 26104006]. NR 41 TC 3 Z9 3 U1 2 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD AUG PY 2016 VL 81 BP 39 EP 48 DI 10.1016/j.astropartphys.2016.04.003 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DQ7EH UT WOS:000379369200004 ER PT J AU Jauregui, EJ Akil, O Acevedo, C Hall-Glenn, F Tsai, BS Bale, HA Liebenberg, E Humphrey, MB Ritchie, RO Lustig, LR Alliston, T AF Jauregui, Emmanuel J. Akil, Omar Acevedo, Claire Hall-Glenn, Faith Tsai, Betty S. Bale, Hrishikesh A. Liebenberg, Ellen Humphrey, Mary Beth Ritchie, Robert O. Lustig, Lawrence R. Alliston, Tamara TI Parallel mechanisms suppress cochlear bone remodeling to protect hearing SO BONE LA English DT Article DE Mouse model; Bone matrix; Collagen; Matrix mineralization; Bone remodeling; Osteocytes; Perilacunar remodeling ID MICE LACKING OSTEOPROTEGERIN; OTIC CAPSULE; INNER-EAR; PERILACUNAR; MATRIX; HIBERNATION; RESORPTION; TISSUES AB Bone remodeling, a combination of bone resorption and formation, requires precise regulation of cellular and molecular signaling to maintain proper bone quality. Whereas osteoblasts deposit and osteoclasts resorb bone matrix, osteocytes both dynamically resorb and replace perilacunar bone matrix. Osteocytes secrete proteases like matrix metalloproteinase-13 (MMP13) to maintain the material quality of bone matrix through perilacunar remodeling (PLR). Deregulated bone remodeling impairs bone quality and can compromise hearing since the auditory transduction mechanism is within bone. Understanding the mechanisms regulating cochlear bone provides unique ways to assess bone quality independent of other aspects that contribute to bone mechanical behavior. Cochlear bone is singular in its regulation of remodeling by expressing high levels of osteoprotegerin. Since cochlear bone expresses a key PLR enzyme, MMP13, we examined whether cochlear bone relies on, or is protected from, osteocyte-mediated PLR to maintain hearing and bone quality using a mouse model lacking MMP13 (MMP13(-/-)). We investigated the canalicular network, collagen organization, lacunar volume via micro-computed tomography, and dynamic histomorphometry. Despite finding defects in these hallmarks of PLR in MMP13(-/-) long bones, cochlear bone revealed no differences in these markers, nor hearing loss as measured by auditory brainstem response (ABM or distortion product oto-acoustic emissions (DPOAE5), between wild type and MMP13(-/-) mice. Dynamic histomorphometry revealed abundant PLR by tibial osteocytes, but near absence in cochlear bone. Cochlear suppression of PLR corresponds to repression of several key PLR genes in the cochlea relative to long bones. These data suggest that cochlear bone uniquely maintains bone quality and hearing independent of MMP13-mediated osteocytic PLR. Furthermore, the cochlea employs parallel mechanisms to inhibit remodeling by osteoclasts and osteoblasts, and by osteocytes, to protect hearing. Understanding the cellular and molecular mechanisms that confer site-specific control of bone remodeling has the potential to elucidate new pathways that are deregulated in skeletal disease. (C) 2016 Elsevier Inc. All rights reserved. C1 [Jauregui, Emmanuel J.; Acevedo, Claire; Hall-Glenn, Faith; Liebenberg, Ellen; Alliston, Tamara] Univ Calif San Francisco, Dept Orthopaed Surg, 513 Pamassus Ave,S-1155, San Francisco, CA 94143 USA. [Akil, Omar; Lustig, Lawrence R.; Alliston, Tamara] Univ Calif San Francisco, Dept Otolaryngol Head & Neck Surg, San Francisco, CA USA. [Acevedo, Claire; Bale, Hrishikesh A.; Ritchie, Robert O.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA. [Tsai, Betty S.] Univ Oklahoma, Hlth Sci Ctr, Dept Otorhinolaryngol, Norman, OK USA. [Humphrey, Mary Beth] Univ Oklahoma, Hlth Sci Ctr, Dept Med, Norman, OK USA. RP Alliston, T (reprint author), Univ Calif San Francisco, Dept Orthopaed Surg, 513 Pamassus Ave,S-1155, San Francisco, CA 94143 USA. EM tamara.alliston@ucsf.edu RI Ritchie, Robert/A-8066-2008; Acevedo, Claire/R-6711-2016 OI Ritchie, Robert/0000-0002-0501-6998; Acevedo, Claire/0000-0001-5425-3052 FU Hearing Research Inc.; NIH-NIDCR [R01 DE019284]; DOD PRORP [OR130191]; NIH-NIAMS [P30 AR066262-01]; UNCF - Merck Postdoctoral Scholar Fellowship; AAO-HNS CORE Resident Research Award; NIH [R03 DE016868]; Deafness Research Foundation FX This research was supported by Hearing Research Inc. (TA, LRL), NIH-NIDCR R01 DE019284 (TA), DOD PRORP OR130191 (TA), NIH-NIAMS P30 AR066262-01 (TA), UNCF - Merck Postdoctoral Scholar Fellowship (FHG), AAO-HNS CORE Resident Research Award (BST), NIH R03 DE016868 (TA) and the Deafness Research Foundation (TA). NR 37 TC 1 Z9 1 U1 2 U2 11 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 8756-3282 EI 1873-2763 J9 BONE JI Bone PD AUG PY 2016 VL 89 BP 7 EP 15 DI 10.1016/j.bone.2016.04.010 PG 9 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA DR0YT UT WOS:000379633500002 PM 27085457 ER PT J AU Lindstrom, P Chen, P Lee, EJ AF Lindstrom, Peter Chen, Po Lee, En-Jui TI Reducing disk storage of full-3D seismic waveform tomography (F3DT) through lossy online compression SO COMPUTERS & GEOSCIENCES LA English DT Article DE Seismic tomography; Full-3D tomography; Scattering-integral method; Waveform tomography; Full-waveform; Full-wave; Compression; Lossy compression; Online compression ID EFFICIENT COMPRESSION; CRUSTAL STRUCTURE; ADJOINT METHODS; FIELD METHODS; REGION AB Full-3D seismic waveform tomography (F3DT) is the latest seismic tomography technique that can assimilate broadband, multi-component seismic waveform observations into high-resolution 3D subsurface seismic structure models. The main drawback in the current F3DT implementation, in particular the scattering-integral implementation (F3DT-SI), is the high disk storage cost and the associated I/O overhead of archiving the 4D space-time wavefields of the receiver- or source-side strain tensors. The strain tensor fields are needed for computing the data sensitivity kernels, which are used for constructing the Jacobian matrix in the Gauss-Newton optimization algorithm. In this study, we have successfully integrated a lossy compression algorithm into our F3DT-SI workflow to significantly reduce the disk space for storing the strain tensor fields. The compressor supports a user-specified tolerance for bounding the error, and can be integrated into our finite-difference wave-propagation simulation code used for computing the strain fields. The decompressor can be integrated into the kernel calculation code that reads the strain fields from the disk and compute the data sensitivity kernels. During the wave-propagation simulations, we compress the strain fields before writing them to the disk. To compute the data sensitivity kernels, we read the compressed strain fields from the disk and decompress them before using them in kernel calculations. Experiments using a realistic dataset in our California statewide F3DT project have shown that we can reduce the strain-field disk storage by at least an order of magnitude with acceptable loss, and also improve the overall I/O performance of the entire F3DT-SI workflow significantly. The integration of the lossy online compressor may potentially open up the possibilities of the wide adoption of F3DT-SI in routine seismic tomography practices in the near future. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Lindstrom, Peter] Lawrence Livermore Natl Lab, Livermore, CA USA. [Chen, Po] Univ Wyoming, Dept Geol & Geophys, Laramie, WY 82071 USA. [Lee, En-Jui] Natl Cheng Kung Univ, Dept Earth Sci, Tainan 701, Taiwan. RP Chen, P (reprint author), Univ Wyoming, Dept Geol & Geophys, Laramie, WY 82071 USA. EM pchen@uwyo.edu OI Lindstrom, Peter/0000-0003-3817-4199 FU United States Geological Survey [G10AP00032]; Crust LLC; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research FX The work performed at University of Wyoming was supported by the United States Geological Survey under Grant number G10AP00032 and Crust LLC. This work was performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Advanced Scientific Computing Research. NR 43 TC 1 Z9 1 U1 2 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD AUG PY 2016 VL 93 BP 45 EP 54 DI 10.1016/j.cageo.2016.04.009 PG 10 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA DQ9XC UT WOS:000379561600005 ER PT J AU Shi, SJ Nuccio, EE Shi, ZJ He, ZL Zhou, JZ Firestone, MK AF Shi, Shengjing Nuccio, Erin E. Shi, Zhou J. He, Zhili Zhou, Jizhong Firestone, Mary K. TI The interconnected rhizosphere: High network complexity dominates rhizosphere assemblages SO ECOLOGY LETTERS LA English DT Article DE Community ecology; keystone species; microbial ecology; microbial interactions; microbial networks; quorum sensing; random matrix theory; rhizosphere ID MICROBIAL COMMUNITIES; POLLINATION NETWORKS; SOIL; DIVERSITY; BACTERIAL; ECOLOGY; COOPERATION; MODULARITY; MODELS; ALTERS AB While interactions between roots and microorganisms have been intensively studied, we know little about interactions among root-associated microbes. We used random matrix theory-based network analysis of 16S rRNA genes to identify bacterial networks associated with wild oat (Avena fatua) over two seasons in greenhouse microcosms. Rhizosphere networks were substantially more complex than those in surrounding soils, indicating the rhizosphere has a greater potential for interactions and niche-sharing. Network complexity increased as plants grew, even as diversity decreased, highlighting that community organisation is not captured by univariate diversity. Covariations were predominantly positive (>80%), suggesting that extensive mutualistic interactions may occur among rhizosphere bacteria; we identified quorum-based signalling as one potential strategy. Putative keystone taxa often had low relative abundances, suggesting low-abundance taxa may significantly contribute to rhizosphere function. Network complexity, a previously undescribed property of the rhizosphere microbiome, appears to be a defining characteristic of this habitat. C1 [Shi, Shengjing; Nuccio, Erin E.; Firestone, Mary K.] Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA. [Shi, Shengjing; Shi, Zhou J.; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Dept Bot & Microbiol, Norman, OK 73019 USA. [Nuccio, Erin E.] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94551 USA. [Zhou, Jizhong; Firestone, Mary K.] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. RP Firestone, MK (reprint author), Univ Calif Berkeley, Dept Environm Sci Policy & Management, Berkeley, CA 94720 USA.; Firestone, MK (reprint author), Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM mkfstone@berkeley.edu FU U.S. Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research Genomic Science Program [DE-SC0004730, DE-SC0010570]; U.S. DOE at Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. DOE Genomic Science Program [SCW1421]; U.S. DOE under UC [00008322] FX This material is based upon work supported by the U.S. Department of Energy (DOE), Office of Science, Office of Biological and Environmental Research Genomic Science Program under Award Numbers DE-SC0004730 and DE-SC0010570. Work at LLNL was performed under the auspices of the U.S. DOE at Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, with funding provided by the U.S. DOE Genomic Science Program under contract SCW1421. Work at the University of Oklahoma was funded by the U.S. DOE under UC-subcontract number 00008322. We thank Jiabao Li (OU) for the MiSeq sequencing, Ye Deng (OU) for the assistance in using the network pipeline, and Nhu Nguyen (UCB) for a thoughtful review of this manuscript. The authors declare no conflict of interest. NR 49 TC 1 Z9 2 U1 54 U2 91 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1461-023X EI 1461-0248 J9 ECOL LETT JI Ecol. Lett. PD AUG PY 2016 VL 19 IS 8 BP 926 EP 936 DI 10.1111/ele.12630 PG 11 WC Ecology SC Environmental Sciences & Ecology GA DR5TW UT WOS:000379966300011 PM 27264635 ER PT J AU Bonito, G Hameed, K Ventura, R Krishnan, J Schadt, CW Vilgalys, R AF Bonito, Gregory Hameed, Khalid Ventura, Rafael Krishnan, Jay Schadt, Christopher W. Vilgalys, Rytas TI Isolating a functionally relevant guild of fungi from the root microbiome of Populus SO FUNGAL ECOLOGY LA English DT Article DE Populus deltoides; Populus trichocarpa; Endophytes; Ectomycorrhizal fungi; Ecological interactions; Rhizobiome ID ARBUSCULAR MYCORRHIZAL FUNGUS; POPLAR CLONES; PHIALOCEPHALA-FORTINII; PINUS-CONTORTA; RIBOSOMAL DNA; SOIL; ECTOMYCORRHIZAE; COLONIZATION; TRICHOCARPA; GLACIER AB Plant roots interact with a bewilderingly complex community of microbes, including root-associated fungi that are essential for maintaining plant health. To improve understanding of the diversity of fungi in the rhizobiome of Populus deltoides, Populus trichocarpa and co-occurring plant hosts Quercus alba and Pinus taeda, we conducted field and greenhouse studies and sampled, isolated, and characterized the diversity of culturable root-associated fungi on these hosts. Using both general and selective isolation media we obtained more than 1800 fungal isolates from individual surface sterilized root tips. Sequences from the ITS and/or D1-D2 regions of the LSU rDNA were obtained from 1042 of the >1800 pure culture isolates and were compared to accessions in the NCBI nucleotide database and analyzed through phylogenetics for preliminary taxonomic identification. Sequences from these isolates were also compared to 454 sequence datasets obtained directly from the Populus rhizosphere and endosphere. Although most of the ectomycorrhizal taxa known to associate with Populus evaded isolation, many of the abundant sequence types from rhizosphere and endosphere 454 datasets were isolated, including novel species belonging to the Atractiellales. Isolation and identification of key endorrhizal fungi will enable more targeted study of plant-fungal interactions. Genome sequencing is currently underway for a subset of our culture library with the aim of understanding the mechanisms involved in host-endophyte establishment and function. This diverse culture library of fungal root associates will be a valuable resource for metagenomic research, experimentation and further studies on plant-fungal interactions. (C) 2016 Elsevier Ltd and British Mycological Society. All rights reserved. C1 [Bonito, Gregory] Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. [Hameed, Khalid; Ventura, Rafael; Krishnan, Jay; Vilgalys, Rytas] Duke Univ, Dept Biol, Durham, NC 27708 USA. [Schadt, Christopher W.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Bonito, G (reprint author), Michigan State Univ, Dept Plant Soil & Microbial Sci, E Lansing, MI 48824 USA. EM bonito@msu.edu RI Schadt, Christopher/B-7143-2008 OI Schadt, Christopher/0000-0001-8759-2448 FU Genomic Science Program, U.S. Department of Energy, Office of Science - Biological and Environmental Research as part of the Plant Microbe Interfaces Scientific Focus Area; U.S. Department of Energy [DE-AC05-00OR22725]; AgBioResearch and Michigan State University FX This research was sponsored by the Genomic Science Program, U.S. Department of Energy, Office of Science - Biological and Environmental Research as part of the Plant Microbe Interfaces Scientific Focus Area (http://pmi.ornl.gov). We thank Lee Gunter, Jud Isebrands, Zachary Moore, Paul Bloese and Bernard G. McMahon for supplying Populus cuttings used in this experiment We are grateful to Natalie Vande Pol and Gian Benucci for their computational assistance. Oak Ridge National Laboratory is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. GB acknowledges AgBioResearch and Michigan State University for support. NR 48 TC 1 Z9 1 U1 20 U2 36 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1754-5048 EI 1878-0083 J9 FUNGAL ECOL JI Fungal Ecol. PD AUG PY 2016 VL 22 BP 35 EP 42 DI 10.1016/j.funeco.2016.04.007 PG 8 WC Ecology; Mycology SC Environmental Sciences & Ecology; Mycology GA DR0XL UT WOS:000379630100006 ER PT J AU Tamasi, AL Cash, LJ Mullen, WT Ross, AR Ruggiero, CE Scott, BL Wagner, GL Walensky, JR Zerkle, SA Wilkerson, MP AF Tamasi, Alison L. Cash, Leigh J. Mullen, W. Tyler Ross, Amy R. Ruggiero, Christy E. Scott, Brian L. Wagner, Gregory L. Walensky, Justin R. Zerkle, Sandra A. Wilkerson, Marianne P. TI Comparison of morphologies of a uranyl peroxide precursor and calcination products SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Morphology; Nuclear forensics; UO2(O-2)center dot xH(2)O; UO2; U3O8; UO3 ID AMMONIUM DIURANATE; URANIUM-DIOXIDE; UO2; PRECIPITATION; POWDER; OXIDATION; PELLETS; ORE; PARAMETERS; CONVERSION AB An understanding of the relationships between morphologic signatures of uranium oxide materials and precursor materials used to prepare them would be valuable for determining process history of intercepted materials. Here, three different high purity uranium oxide materials were prepared from a single source of uranyl peroxide hydrate (UO2(O-2)center dot xH(2)O) to determine variability of texture between the precipitate precursor and calcination products. Scanning electron microscopy images of the materials were characterized using a lexicon of descriptors. Analyses revealed that morphologic textures of calcination products were indeed equivalent to that of the UO2(O-2)center dot xH(2)O precipitate, revealing a morphologic signature for forensic analyses of process history. C1 [Tamasi, Alison L.; Cash, Leigh J.; Mullen, W. Tyler; Ross, Amy R.; Ruggiero, Christy E.; Scott, Brian L.; Wagner, Gregory L.; Zerkle, Sandra A.; Wilkerson, Marianne P.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Tamasi, Alison L.; Walensky, Justin R.] Univ Missouri Columbia, Dept Chem, Columbia, MO 65211 USA. RP Wilkerson, MP (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM mpw@lanl.gov RI Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Wagner, Gregory/0000-0002-7852-7529; Wilkerson, Marianne/0000-0001-8540-0465 FU U.S. Department of Homeland Security, Domestic Nuclear Detection Office [IAA HSHQDC-13-X-00269, HDHQDC-08-X-00805]; Federal Bureau of Investigation, Laboratory Division under Interagency [A91902891, A01002897]; U.S. Department of Homeland Security [2012-DN-130-NF0001-02]; Seaborg Institute; University of Missouri; U.S. Department of Energy [DE-AC52-06NA25396] FX This work has been supported by the U.S. Department of Homeland Security, Domestic Nuclear Detection Office, under competitively awarded contract/IAA HSHQDC-13-X-00269 and under HDHQDC-08-X-00805 and the Federal Bureau of Investigation, Laboratory Division under Interagency Agreements A91902891 and A01002897. A.L.T. would like to thank the U.S. Department of Homeland Security under Grant Award Number, 2012-DN-130-NF0001-02, the Seaborg Institute, and the University of Missouri for providing funding to perform this work. J. R. W.'s contribution to this material is based upon work supported by the U.S. Department of Homeland Security under Grant Award Number, 2012-DN-130-NF0001-02. The views and conclusions contained in this document are those of the authors and should not be interpreted as necessarily representing the official policies, either expressed or implied, of the U.S. Department of Homeland Security, the Federal Bureau of Investigation, or the Government. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration for the U.S. Department of Energy (Contract DE-AC52-06NA25396). LA-UR-15-27836 NR 27 TC 3 Z9 3 U1 6 U2 11 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD AUG PY 2016 VL 309 IS 2 BP 827 EP 832 DI 10.1007/s10967-016-4692-x PG 6 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA DR0WB UT WOS:000379626500042 ER PT J AU Cassata, WS Velsko, CA Stoeffl, W Jedlovec, DR Golod, AB Shaughnessy, DA Yeamans, CB Edwards, ER Schneider, DHG AF Cassata, W. S. Velsko, C. A. Stoeffl, W. Jedlovec, D. R. Golod, A. B. Shaughnessy, D. A. Yeamans, C. B. Edwards, E. R. Schneider, D. H. G. TI Determination of gaseous fission product yields from 14 MeV neutron induced fission of U-238 at the National Ignition Facility SO JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY LA English DT Article DE Fission yields; National Ignition Facility; Xenon isotopes; Depleted uranium; 14 MeV neutrons ID INTERNATIONAL MONITORING-SYSTEM; NUCLEAR; TRANSMUTATION AB We determined fission yields of xenon (Xe-133m, Xe-135, Xe-135m, Xe-137, Xe-138, and Xe-139) resulting from 14 MeV neutron induced fission of depleted uranium at the National Ignition Facility. Measurements begin approximately 20 s after shot time, and yields have been determined for nuclides with half-lives as short as tens of seconds. We determined the relative independent yields of Xe-133m, Xe-135, and Xe-135m to significantly higher precision than previously reported. The relative fission yields of all nuclides are statistically indistinguishable from values reported by England and Rider (ENDF-349. LA-UR-94-3106, 1994), with exception of the cumulative yield of Xe-139. Considerable differences exist between our measured yields and the JEFF-3.1 database values. C1 [Cassata, W. S.; Velsko, C. A.; Stoeffl, W.; Jedlovec, D. R.; Golod, A. B.; Shaughnessy, D. A.; Yeamans, C. B.; Schneider, D. H. G.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. [Edwards, E. R.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Cassata, WS (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM cassata2@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 14 TC 2 Z9 2 U1 3 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0236-5731 EI 1588-2780 J9 J RADIOANAL NUCL CH JI J. Radioanal. Nucl. Chem. PD AUG PY 2016 VL 309 IS 2 BP 899 EP 908 DI 10.1007/s10967-015-4662-8 PG 10 WC Chemistry, Analytical; Chemistry, Inorganic & Nuclear; Nuclear Science & Technology SC Chemistry; Nuclear Science & Technology GA DR0WB UT WOS:000379626500048 ER PT J AU Han, BG Watson, Z Kang, H Pulk, A Downing, KH Cate, J Glaeser, RM AF Han, Bong-Gyoon Watson, Zoe Kang, Hannah Pulk, Arto Downing, Kenneth H. Cate, Jamie Glaeser, Robert M. TI Long shelf-life streptavidin support-films suitable for electron microscopy of biological macromolecules SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Streptavidin; Affinity grid; Electron microscopy ID CRYO-EM; CRYOELECTRON MICROSCOPY; 2-DIMENSIONAL CRYSTALS; RESOLUTION; MEMBRANE; COMPLEXES; SYSTEM; WATER AB We describe a rapid and convenient method of growing streptavidin (SA) monolayer crystals directly on holey-carbon EM grids. As expected, these SA monolayer crystals retain their biotin-binding function and crystalline order through a cycle of embedding in trehalose and, later, its removal. This fact allows one to prepare, and store for later use, EM grids on which SA monolayer crystals serve as an affinity substrate for preparing specimens of biological macromolecules. In addition, we report that coating the lipid-tail side of trehalose-embedded monolayer crystals with evaporated carbon appears to improve the consistency with which well-ordered, single crystals are observed to span over entire, 2 pm holes of the support films. Randomly biotinylated 70S ribosomes are used as a test specimen to show that these support films can be used to obtain a high-resolution cryo-EM structure. (C) 2016 Elsevier Inc. All rights reserved. C1 [Han, Bong-Gyoon; Kang, Hannah; Downing, Kenneth H.; Cate, Jamie; Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA. [Watson, Zoe; Cate, Jamie] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Pulk, Arto; Cate, Jamie] Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. [Pulk, Arto; Cate, Jamie] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. RP Glaeser, RM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA. EM rmglaeser@lbl.gov OI Pulk, Arto/0000-0001-8793-3038 FU NIH [R01 GM083039, P01 GM051487, R01 GM065050] FX This work has been supported in part by NIH Grants R01 GM083039, P01 GM051487, and R01 GM065050. NR 25 TC 0 Z9 0 U1 6 U2 11 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 AUG PY 2016 VL 195 IS 2 BP 238 EP 244 DI 10.1016/j.jsb.2016.06.009 PG 7 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA DQ8ID UT WOS:000379452500010 PM 27320699 ER PT J AU Hoegg, ED Barinaga, CJ Hager, GJ Hart, GL Koppenaal, DW Marcus, RK AF Hoegg, Edward D. Barinaga, Charles J. Hager, George J. Hart, Garret L. Koppenaal, David W. Marcus, R. Kenneth TI Preliminary Figures of Merit for Isotope Ratio Measurements: The Liquid Sampling-Atmospheric Pressure Glow Discharge Microplasma Ionization Source Coupled to an Orbitrap Mass Analyzer SO JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY LA English DT Article DE Liquid sampling-atmospheric pressure glow discharge; Orbitrap mass analyzer; Isotope ratio analysis; Uranium ID SPACE-CHARGE; ION-TRAP; EMISSION-SPECTROMETRY; PLASMA SOURCE; INSTRUMENTATION; ELECTROLYTE; PERFORMANCE AB In order to meet a growing need for fieldable mass spectrometer systems for precise elemental and isotopic analyses, the liquid sampling-atmospheric pressure glow discharge (LS-APGD) has a number of very promising characteristics. One key set of attributes that await validation deals with the performance characteristics relative to isotope ratio precision and accuracy. Owing to its availability and prior experience with this research team, the initial evaluation of isotope ratio (IR) performance was performed on a Thermo Scientific Exactive Orbitrap instrument. While the mass accuracy and resolution performance for Orbitrap analyzers are well-documented, no detailed evaluations of the IR performance have been published. Efforts described here involve two variables: the inherent IR precision and accuracy delivered by the LS-APGD microplasma and the inherent IR measurement qualities of Orbitrap analyzers. Important to the IR performance, the various operating parameters of the Orbitrap sampling interface, high-energy collisional dissociation (HCD) stage, and ion injection/data acquisition have been evaluated. The IR performance for a range of other elements, including natural, depleted, and enriched uranium isotopes was determined. In all cases, the precision and accuracy are degraded when measuring low abundance (< 0.1% isotope fractions). In the best case, IR precision on the order of 0.1% RSD can be achieved, with values of 1%-3% RSD observed for low-abundance species. The results suggest that the LS-APGD is a promising candidate for field deployable MS analysis and that the high resolving powers of the Orbitrap may be complemented with a here-to-fore unknown capacity to deliver high-precision IRs. C1 [Hoegg, Edward D.; Marcus, R. Kenneth] Clemson Univ, Dept Chem, Clemson, SC 29634 USA. [Hoegg, Edward D.; Barinaga, Charles J.; Hager, George J.; Hart, Garret L.; Koppenaal, David W.] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Marcus, RK (reprint author), Clemson Univ, Dept Chem, Clemson, SC 29634 USA. EM MarcusR@Clemson.Edu FU U.S. National Nuclear Security Administration Office of Nonproliferation and Arms Control (NA-24) within the U.S. Department of Energy [DE-AC05-76RL01830]; U.S. Department of Energy's Office of Biological and Environmental Research (BER) program; U.S. National Nuclear Security Administration's (NNSA) Office of International Nuclear Safeguards; Next Generation Safeguards Initiative; Defense Threat Reduction Agency, Basic Research Award [HDTRA1-14-1-0010] FX This research was supported in part by the U.S. National Nuclear Security Administration Office of Nonproliferation and Arms Control (NA-24) within the U.S. Department of Energy under Contract DE-AC05-76RL01830. PNNL is a multi-program national laboratory operated by Battelle for the U.S. Department of Energy. The Exactive MS capability was provided by the W. R. Wiley Environmental Molecular Science Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research (BER) program. Funding for this work (to E.D.H.) was provided by the U.S. National Nuclear Security Administration's (NNSA) Office of International Nuclear Safeguards and the Next Generation Safeguards Initiative. Support for Clemson University activities from the Defense Threat Reduction Agency, Basic Research Award #HDTRA1-14-1-0010 is also acknowledged. NR 39 TC 1 Z9 1 U1 16 U2 23 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1044-0305 EI 1879-1123 J9 J AM SOC MASS SPECTR JI J. Am. Soc. Mass Spectrom. PD AUG PY 2016 VL 27 IS 8 BP 1393 EP 1403 DI 10.1007/s13361-016-1402-4 PG 11 WC Biochemical Research Methods; Chemistry, Analytical; Chemistry, Physical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA DR2XN UT WOS:000379767300012 PM 27080006 ER PT J AU Kevrekidis, PG Stefanov, AG Xu, HT AF Kevrekidis, Panayotis G. Stefanov, Atanas G. Xu, Haitao TI Traveling Waves for the Mass in Mass Model of Granular Chains SO LETTERS IN MATHEMATICAL PHYSICS LA English DT Article DE solitary waves; granular chains; nonlinear lattices; traveling waves; calculus of variations ID SOLITARY WAVES; EMBEDDED SOLITONS; LATTICES; BEADS AB In the present work, we consider the mass in mass (or mass with mass) system of granular chains, namely, a granular chain involving additionally an internal (or, respectively, external) resonator. For these chains, we rigorously establish that under suitable "anti-resonance" conditions connecting the mass of the resonator and the speed of the wave, bell-shaped traveling-wave solutions continue to exist in the system, in a way reminiscent of the results proven for the standard granular chain of elastic Hertzian contacts. We also numerically touch upon settings, where the conditions do not hold, illustrating, in line also with recent experimental work, that non-monotonic waves bearing non-vanishing tails may exist in the latter case. C1 [Kevrekidis, Panayotis G.; Xu, Haitao] Univ Massachusetts, Dept Math & Stat, Lederle Grad Res Tower, Amherst, MA 01003 USA. [Kevrekidis, Panayotis G.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87544 USA. [Kevrekidis, Panayotis G.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. [Stefanov, Atanas G.] Univ Kansas, Dept Math, 1460 Jayhawk Blvd, Lawrence, KS 66045 USA. RP Kevrekidis, PG (reprint author), Univ Massachusetts, Dept Math & Stat, Lederle Grad Res Tower, Amherst, MA 01003 USA.; Kevrekidis, PG (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87544 USA.; Kevrekidis, PG (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. EM kevrekid@math.umass.edu; stefanov@ku.edu RI Stefanov, Atanas/H-4242-2012 FU NSF-DMS [1313107]; National Science Foundation [DMS-1312856]; ERC; FP7-People [605096]; ARO [W911NF-15-1-0604]; U.S. Department of Energy FX Stefanov's research is supported in part by NSF-DMS 1313107. Kevrekidis acknowledges support from the National Science Foundation under grant DMS-1312856, from ERC and FP7-People under grant 605096, and from the ARO (under grant W911NF-15-1-0604). P.G.K.'s work at Los Alamos is supported in part by the U.S. Department of Energy. NR 37 TC 1 Z9 1 U1 3 U2 4 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0377-9017 EI 1573-0530 J9 LETT MATH PHYS JI Lett. Math. Phys. PD AUG PY 2016 VL 106 IS 8 BP 1067 EP 1088 DI 10.1007/s11005-016-0854-6 PG 22 WC Physics, Mathematical SC Physics GA DR0PI UT WOS:000379609000003 ER PT J AU Jackson, H San Marchi, C Balch, D Somerday, B Michael, J AF Jackson, Heather San Marchi, Chris Balch, Dorian Somerday, Brian Michael, Joseph TI Effects of Low Temperature on Hydrogen-Assisted Crack Growth in Forged 304L Austenitic Stainless Steel SO METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE LA English DT Article ID STRAIN-INDUCED MARTENSITE; STACKING-FAULT ENERGY; BRITTLE-FRACTURE; MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; FUSION WELDS; CR-NI; EMBRITTLEMENT; ALLOYS; NITROGEN AB The objective of this study was to evaluate effects of low temperature on hydrogen-assisted crack propagation in forged 304L austenitic stainless steel. Fracture initiation toughness and crack-growth resistance curves were measured using fracture mechanics specimens that were thermally precharged with 140 wppm hydrogen and tested at 293 K or 223 K (20 A degrees C or -50 A degrees C). Fracture initiation toughness for hydrogen-precharged forgings decreased by at least 50 to 80 pct relative to non-charged forgings. With hydrogen, low-temperature fracture initiation toughness decreased by 35 to 50 pct relative to room-temperature toughness. Crack growth without hydrogen at both temperatures was microstructure-independent and indistinguishable from blunting, while with hydrogen microcracks formed by growth and coalescence of microvoids. Initiation of microvoids in the presence of hydrogen occurred where localized deformation bands intersected grain boundaries and other deformation bands. Low temperature additionally promoted fracture initiation at annealing twin boundaries in the presence of hydrogen, which competed with deformation band intersections and grain boundaries as sites of microvoid formation and fracture initiation. A common ingredient for fracture initiation was stress concentration that arose from the intersection of deformation bands with these microstructural obstacles. The localized deformation responsible for producing stress concentrations at obstacles was intensified by low temperature and hydrogen. Crack orientation and forging strength were found to have a minor effect on fracture initiation toughness of hydrogen-supersaturated 304L forgings. (C) The Minerals, Metals & Materials Society and ASM International 2016 C1 [Jackson, Heather; San Marchi, Chris; Balch, Dorian; Somerday, Brian] Sandia Natl Labs, Livermore, CA USA. [Michael, Joseph] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Jackson, H (reprint author), Struct Integr Associates, San Jose, CA 95138 USA. EM hjackson@structint.com FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors are grateful to J. Campbell for hydrogen pressure systems support; A. Gardea and A. Kilgo for metallographic preparation; R. Nishimoto for SEM imaging; and B. McKenzie for EBSD analysis. Sandia is a multiprogram laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 73 TC 0 Z9 0 U1 11 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1073-5623 EI 1543-1940 J9 METALL MATER TRANS A JI Metall. Mater. Trans. A-Phys. Metall. Mater. Sci. PD AUG PY 2016 VL 47A IS 8 BP 4334 EP 4350 DI 10.1007/s11661-016-3563-y PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DQ8XJ UT WOS:000379494700051 ER PT J AU Gonzalez-Esquer, CR Smarda, J Rippka, R Axen, SD Guglielmi, G Gugger, M Kerfeld, CA AF Gonzalez-Esquer, C. R. Smarda, J. Rippka, R. Axen, S. D. Guglielmi, G. Gugger, M. Kerfeld, C. A. TI Cyanobacterial ultrastructure in light of genomic sequence data SO PHOTOSYNTHESIS RESEARCH LA English DT Review DE Ultrastructure; Morphology; Bioinformatics; Cyanobacteria; Transmission electron microscopy; Protein domain; Carboxysome; Cyanophycin; Polyphosphate; PHB; Glycogen; Lipid droplets; Gas vesicles ID BLUE-GREEN-ALGAE; ELECTRON MICROSCOPE; CELL INCLUSIONS; LIPID DROPLETS; DIVERSITY; EVOLUTION; NITROGEN; PLANTS; ARCHITECTURE; TOMOGRAPHY AB Cyanobacteria are physiologically and morphologically diverse photosynthetic microbes that play major roles in the carbon and nitrogen cycles of the biosphere. Recently, they have gained attention as potential platforms for the production of biofuels and other renewable chemicals. Many cyanobacteria were characterized morphologically prior to the advent of genome sequencing. Here, we catalog cyanobacterial ultrastructure within the context of genomic sequence information, including high-magnification transmission electron micrographs that represent the diversity in cyanobacterial morphology. We place the image data in the context of tabulated protein domains-which are the structural, functional, and evolutionary units of proteins-from the 126 cyanobacterial genomes comprising the CyanoGEBA dataset. In particular, we identify the correspondence between ultrastructure and the occurrence of genes encoding protein domains related to the formation of cyanobacterial inclusions. This compilation of images and genome-level domain occurrence will prove useful for a variety of analyses of cyanobacterial sequence data and provides a guidebook to morphological features. C1 [Gonzalez-Esquer, C. R.; Kerfeld, C. A.] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Smarda, J.] Masaryk Univ, Dept Biol, Fac Med, Univ Campus,Bldg A6,Kamenice 5, Brno 62500, Czech Republic. [Rippka, R.; Gugger, M.] Inst Pasteur, Unite Cyanobacteries, CNRS, URA 2172, F-75724 Paris 15, France. [Axen, S. D.] Univ Calif San Francisco, Bioinformat Grad Grp, San Francisco, CA 94158 USA. [Guglielmi, G.] Ecole Normale Super, Inst Biol ENS, IBENS, INSERM,U1024,CNRS,UMR 8197, F-75005 Paris, France. [Kerfeld, C. A.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Kerfeld, C. A.] Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA. [Kerfeld, C. A.] Univ Calif Berkeley, Berkeley Synthet Biol Inst, Berkeley, CA 94720 USA. [Kerfeld, C. A.] Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. RP Kerfeld, CA (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA.; Kerfeld, CA (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA.; Kerfeld, CA (reprint author), Univ Calif Berkeley, Dept Plant & Microbial Biol, Berkeley, CA 94720 USA.; Kerfeld, CA (reprint author), Univ Calif Berkeley, Berkeley Synthet Biol Inst, Berkeley, CA 94720 USA.; Kerfeld, CA (reprint author), Michigan State Univ, Dept Biochem & Mol Biol, E Lansing, MI 48824 USA. EM ckerfeld@lbl.gov OI kerfeld, cheryl/0000-0002-9977-8482 FU Office of Science of the US Department of Energy [DE-FG02-91ER20021] FX The authors dedicate this article to the memory of Dr. David Knaff who encouraged its development as an online guidebook to cyanobacterial (subcellular) morphology. CRG-E would like to acknowledge members of the Kerfeld laboratory for helpful discussions. This work was supported by the Office of Science of the US Department of Energy DE-FG02-91ER20021 and with infrastructure support from MSU AgBIO research (CAK and CRG-E). NR 46 TC 0 Z9 0 U1 14 U2 24 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0166-8595 EI 1573-5079 J9 PHOTOSYNTH RES JI Photosynth. Res. PD AUG PY 2016 VL 129 IS 2 BP 147 EP 157 DI 10.1007/s11120-016-0286-2 PG 11 WC Plant Sciences SC Plant Sciences GA DQ6XJ UT WOS:000379349200003 PM 27344651 ER PT J AU Lee, LS Garnett, JA Bright, EG Sharitz, RR Batzer, DP AF Lee, Linda S. Garnett, Jeffrey A. Bright, Eric G. Sharitz, Rebecca R. Batzer, Darold P. TI Vegetation, invertebrate, and fish community response to past and current flow regulation in floodplains of the Savannah River, Southeastern USA SO WETLANDS ECOLOGY AND MANAGEMENT LA English DT Article DE Dytiscidae; Esox; Flood pulse; Swamp forest; Wetlands ID UPPER PARANA RIVER; MISSOURI RIVER; REGIME; DAM; STREAMS; FOREST AB In 2005 and 2006, the United States Army Corps of Engineers released experimental flows to mimic natural spring flooding on the highly regulated lower Savannah River in the Southeastern US. We used vegetation, invertebrate, and fish communities to assess how past regulation and current experimental releases were affecting the ecological conditions on floodplains. The nearby Altamaha River, of similar size but retaining near-natural spring pulses, served as a reference. We did not find that past flow regulation of the Savannah River had significantly altered floodplain forest structure. However, numbers of tree seedlings in bottomland hardwood forests were higher during a year with an artificial pulse than one without. Analyses of invertebrate and fish communities suggested some limited differences in floodplain community structure between rivers, with differences being most pronounced for predaceous Dytiscidae beetles and Esox spp. fishes. Artificial re-creation of small spring flood pulses down the Savannah River in 2005 and 2006 elicited some responses from fish and invertebrates, but did not shift species assemblages towards those occurring on Altamaha River floodplains. C1 [Lee, Linda S.; Sharitz, Rebecca R.] Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. [Garnett, Jeffrey A.] Univ Idaho, Coll Nat Resources, Fish Ecol Res Lab, 875 Perimeter Dr, Moscow, ID 83844 USA. [Bright, Eric G.] Univ Oklahoma, Dept Biol, 111 E Chesapeake St, Norman, OK 73019 USA. [Bright, Eric G.] Univ Oklahoma, Oklahoma Biol Survey, 111 E Chesapeake St, Norman, OK 73019 USA. [Batzer, Darold P.] Univ Georgia, Dept Entomol, 413 Biol Sci Bldg, Athens, GA 30602 USA. RP Lee, LS (reprint author), Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29802 USA. EM lee@srel.uga.edu FU Nature Conservancy; Georgia Water Resources Institute-US Geological Survey; United States Army Corps of Engineers; Savannah River Ecology Laboratory; University of Georgia Department of Entomology; Hatch Land-Grant Program; U.S. Department of Energy [DE-FC09-96SR18546]; University of Georgia [DE-FC09-96SR18546] FX We thank The Nature Conservancy and Georgia Water Resources Institute-US Geological Survey for providing funds for this project. We also appreciate support from the United States Army Corps of Engineers, Savannah River Ecology Laboratory, University of Georgia Department of Entomology, and the Hatch Land-Grant Program. Research was aided by Financial Assistance Award No. DE-FC09-96SR18546 between the U.S. Department of Energy and the University of Georgia. These organizations did not provide editorial comment on the paper, and their past contribution does not convey support for our conclusions. NR 34 TC 1 Z9 1 U1 17 U2 26 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0923-4861 EI 1572-9834 J9 WETL ECOL MANAG JI Wetl. Ecol. Manag. PD AUG PY 2016 VL 24 IS 4 BP 443 EP 455 DI 10.1007/s11273-015-9470-y PG 13 WC Environmental Sciences; Water Resources SC Environmental Sciences & Ecology; Water Resources GA DQ6YH UT WOS:000379352300006 ER PT J AU Matthews, MJ Guss, G Khairallah, SA Rubenchik, AM Depond, PJ King, WE AF Matthews, Manyalibo J. Guss, Gabe Khairallah, Saad A. Rubenchik, Alexander M. Depond, Philip J. King, Wayne E. TI Denudation of metal powder layers in laser powder bed fusion processes SO ACTA MATERIALIA LA English DT Article DE Selective laser melting; Powder bed fusion; Surface structure; Defects; Fluid dynamics; Finite element modeling; High speed imaging ID STAINLESS-STEEL POWDER; HEAT-TRANSFER; MICROSTRUCTURE; COMPONENTS; SPATTER; BEAM AB Understanding laser interaction with metal powder beds is critical in predicting optimum processing regimes in laser powder bed fusion additive manufacturing of metals. In this work, we study the denudation of metal powders that is observed near the laser scan path as a function of laser parameters and ambient gas pressure. We show that the observed depletion of metal powder particles in the zone immediately surrounding the solidified track is due to a competition between outward metal vapor flux directed away from the laser spot and entrainment of powder particles in a shear flow of gas driven by a metal vapor jet at the melt track. Between atmospheric pressure and similar to 10 Torr of Ar gas, the denuded zone width increases with decreasing ambient gas pressure and is dominated by entrainment from inward gas flow. The denuded zone then decreases from 10 to 2.2 Torr reaching a minimum before increasing again from 2.2 to 0.5 Torr where metal vapor flux and expansion from the melt pool dominates. The dynamics of the denudation process were captured using high-speed imaging, revealing that the particle movement is a complex interplay among melt pool geometry, metal vapor flow, and ambient gas pressure. The experimental results are rationalized through finite element simulations of the melt track formation and resulting vapor flow patterns. The results presented here represent new insights to denudation and melt track formation that can be important for the prediction and minimization of void defects and surface roughness in additively manufactured metal components. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. C1 [Matthews, Manyalibo J.; Guss, Gabe; Khairallah, Saad A.; Rubenchik, Alexander M.; Depond, Philip J.; King, Wayne E.] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. RP Matthews, MJ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM ibo@llnl.gov OI Matthews, Manyalibo/0000-0003-3519-7221 FU Laboratory Directed Research and Development grant [15-ERD-037]; U.S. Department of Energy [DE-AC52-07NA27344] FX The authors wish to acknowledge M. Wang and A. Anderson of LLNL, I. Yadroitsev of the Central University of Technology, South Africa and D. Novikov of IPG Photonics for stimulating and enlightening conversations. This work was funded through a Laboratory Directed Research and Development grant 15-ERD-037 and performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344. NR 24 TC 3 Z9 3 U1 42 U2 68 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD AUG 1 PY 2016 VL 114 BP 33 EP 42 DI 10.1016/j.actamat.2016.05.017 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DQ1LN UT WOS:000378962600005 ER PT J AU Lind, J Li, SF Kumar, M AF Lind, Jonathan Li, Shiu Fai Kumar, Mukul TI Twin related domains in 3D microstructures of conventionally processed and grain boundary engineered materials SO ACTA MATERIALIA LA English DT Article DE Grain boundary engineering; 3D characterization; TRD; nf-HEDM ID CUBIC-CRYSTALS; NETWORKS; CONNECTIVITY; PERCOLATION; CORROSION; CRACKING AB The concept of twin-limited microstructures has been explored in the literature as a crystallographically constrained grain boundary network connected via only coincident site lattice (CSL) boundaries. The advent of orientation imaging has made classification of twin-related domains (TRD) or any other orientation cluster experimentally accessible in 2D using EBSD. With the emergence of 3D orientation mapping, a comparison of TRDs in measured 3D microstructures is performed and compared against their 2D counterparts. The TRD analysis is performed on a conventionally processed (CP) and a grain boundary engineered (EM) high purity copper sample that have been subjected to successive anneal procedures to promote grain growth. The EM sample shows extremely large TRDs which begin to approach that of a twin-limited microstructure, while the TRDs in the CP sample remain relatively small and remote. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Lind, Jonathan; Li, Shiu Fai; Kumar, Mukul] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Lind, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM lind9@llnl.gov; li31@llnl.gov; kumar3@llnl.gov OI Lind, Jonathan/0000-0001-6406-0617 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; US DOE Office of Basic Energy Sciences, Division of Materials Science and Engineering [SCW 09039]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344, and the authors were supported by US DOE Office of Basic Energy Sciences, Division of Materials Science and Engineering (SCW 09039). 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. NR 39 TC 1 Z9 1 U1 12 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD AUG 1 PY 2016 VL 114 BP 43 EP 53 DI 10.1016/j.actamat.2016.03.002 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DQ1LN UT WOS:000378962600006 ER PT J AU Huang, JY E, JC Huang, JW Sun, T Fezzaa, K Xu, SL Luo, SN AF Huang, J. Y. E, J. C. Huang, J. W. Sun, T. Fezzaa, K. Xu, S. L. Luo, S. N. TI Dynamic deformation and fracture of single crystal silicon: Fracture modes, damage laws, and anisotropy SO ACTA MATERIALIA LA English DT Article DE Single-crystal Si; Dynamic fracture; Cleavage; X-ray imaging; Laue diffraction ID HOPKINSON PRESSURE BAR; X-RAY-DIFFRACTION; CONCRETE-LIKE MATERIALS; BRITTLE MATERIALS; STRENGTH ENHANCEMENT; COMPRESSIVE FAILURE; ENERGY-DISSIPATION; LAUE DIFFRACTION; BORON-CARBIDE; CRACK TIPS AB Impact fracture of single-crystal Si is critical to long-term reliability of electronic devices and solar cells for its wide use as components or substrates in semiconductor industry. Single-crystal Si is loaded along two different crystallographic directions with a split Hopkinson pressure bar integrated with an in situ x-ray imaging and diffraction system. Bulk stress histories are measured, simultaneously with x-ray phase contrast imaging (XPCI) and Laue diffraction. Damage evolution is quantified with grayscale maps from XPCI. Single-crystal Si exhibits pronounced anisotropy in fracture modes, and thus fracture strengths and damage evolution. For loading along [1 (1) over bar0] and viewing along [001], (1 (1) over bar0)[1 (1) over bar0] cleavage is activated and induces horizontal primary cracks followed by perpendicular wing cracks. However, for loading along [01 (1) over bar] and viewing along [111], random nucleation and growth of shear and tensile-splitting crack networks lead to catastrophic failure of materials with no cleavage. The primary-wing crack mode leads to a lower characteristic fracture strength due to predamage, but a more concentrated strength distribution, i.e., a higher Weibull modulus, compared to the second loading case. Moreover, the sequential primary cracking, wing cracking and wing-crack coalescence processes result in a gradual increase of damage with time, deviating from theoretical predictions. Particle size and aspect ratios of fragments are discussed with postmortem fragment analysis, which verifies fracture modes observed in XPCI. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Huang, J. Y.; E, J. C.; Huang, J. W.; Xu, S. L.; Luo, S. N.] Peac Inst Multiscale Sci, Chengdu 610031, Sichuan, Peoples R China. [Huang, J. Y.; Luo, S. N.] Southwest Jiaotong Univ, Minist Educ, Key Lab Adv Technol Mat, Chengdu 610031, Sichuan, Peoples R China. [Huang, J. Y.; Xu, S. L.] Univ Sci & Technol China, Dept Modern Mech, CAS Key Lab Mat Behav & Design, Hefei 230027, Anhui, Peoples R China. [Sun, T.; Fezzaa, K.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Xu, SL; Luo, SN (reprint author), Peac Inst Multiscale Sci, Chengdu 610031, Sichuan, Peoples R China. EM slxu99@ustc.edu.cn; sluo@pims.ac.cn RI Luo, Sheng-Nian /D-2257-2010 OI Luo, Sheng-Nian /0000-0002-7538-0541 FU 973 Project of China [2014CB845904]; NSFC of China [11472253]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We thank B.X. Bie, D. Fan and L. Lu for the help with x-ray imaging and diffraction experiments. This work is supported by the 973 Project of China (No. 2014CB845904) and NSFC (No. 11472253) of China. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 66 TC 1 Z9 1 U1 30 U2 41 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD AUG 1 PY 2016 VL 114 BP 136 EP 145 DI 10.1016/j.actamat.2016.05.022 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DQ1LN UT WOS:000378962600014 ER PT J AU Li, J Chen, Y Xue, S Wang, H Zhang, X AF Li, Jin Chen, Y. Xue, S. Wang, H. Zhang, X. TI Comparison of size dependent strengthening mechanisms in Ag/Fe and Ag/Ni multilayers SO ACTA MATERIALIA LA English DT Article DE Sputter; Multilayer; Strengthening; Nanoindentation; Stacking fault energy ID STEEL THIN-FILMS; DEFORMATION MECHANISMS; METALLIC MULTILAYERS; ATOMISTIC SIMULATIONS; WEAK INTERFACES; STACKING-FAULT; COMPOSITES; HARDNESS; ION; NANOLAYERS AB Nanostructured metallic multilayers have attracted substantial attention as they often possess high mechanical strength. Here we report on the microstructure and mechanical strength of sputtered Ag/Fe multilayers with individual layer thicknesses (h) varying from 1 to 200 nm. Phase transformation of Fe from body-centered-cubic (bcc) to face-centered-cubic (fcc) structure occurs when h < 5 nm. Nanotwins form in fine Ag/Fe multilayers. Although modulus mismatch is similar between Ag/Fe and Ag/Ni multilayers, the peak hardnesses of Ag/Fe multilayers is much lower than that of Ag/Ni system. Comparison of mechanical strength of several Ag based multilayers reveals that this drastic difference may arise from chemical stress due to the difference in stacking fault energy of the layer constituents. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Li, Jin; Zhang, X.] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Chen, Y.] Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. [Xue, S.; Zhang, X.] Texas A&M Univ, Dept Mech Engn, College Stn, TX 77843 USA. [Wang, H.] Texas A&M Univ, Dept Elect & Comp Engn, College Stn, TX 77843 USA. [Zhang, X.] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. RP Zhang, X (reprint author), Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA. EM xzhang98@purdue.edu RI Chen, Youxing/P-5006-2016 OI Chen, Youxing/0000-0003-1111-4495 FU NSF-DMR-Metallic Materials and Nanostructures Program [1304101]; NSF-CMMI [1161978]; DoE-OBES [DE-SC0010482] FX We acknowledge financial support by NSF-DMR-Metallic Materials and Nanostructures Program under grant no. 1304101. YC is supported financially by NSF-CMMI 1161978. S. Xue is supported by DoE-OBES under grant no. DE-SC0010482. We also acknowledge the use of microscopes at the Microscopy and Imaging Center at Texas A&M University and the DoE Center for Integrated Nanotechnologies managed by Los Alamos National Laboratory. NR 70 TC 1 Z9 1 U1 10 U2 33 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD AUG 1 PY 2016 VL 114 BP 154 EP 163 DI 10.1016/j.actamat.2016.05.030 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DQ1LN UT WOS:000378962600016 ER PT J AU Glotfelty, T Zhang, Y Karamchandani, P Streets, DG AF Glotfelty, Timothy Zhang, Yang Karamchandani, Prakash Streets, David G. TI Changes in future air quality, deposition, and aerosol-cloud interactions under future climate and emission scenarios SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Global climate and emissions change; Future air quality; Aerosol direct effect; Aerosol indirect effects; Online-coupled model; GU_WRF/Chem ID INTERCOMPARISON PROJECT ACCMIP; SURFACE-HYDROLOGY MODEL; ATMOSPHERIC CHEMISTRY; UNITED-STATES; TROPOSPHERIC OZONE; SEA-SALT; PART I; IMPACTS; PARAMETERIZATION; 21ST-CENTURY AB The prospect of global climate change will have wide scale impacts, such as ecological stress and human health hazards. One aspect of concern is future changes in air quality that will result from changes in both meteorological forcing and air pollutant emissions. In this study, the GU-WRF/Chem model is employed to simulate the impact of changing climate and emissions following the IPCC AR4 SRES A1B scenario. An average of 4 future years (2020, 2030, 2040, and 2050) is compared against an average of 2 current years (2001 and 2010). Under this scenario, by the Mid-21st century global air quality is projected to degrade with a global average increase of 2.5 ppb in the maximum 8-hr O-3 level and of O-3 mu g m(-3) in 24-hr average PM2.5. However, PM2.5 changes are more regional due to regional variations in primary aerosol emissions and emissions of gaseous precursor for secondary PM2.5. Increasing NOx emissions in this scenario combines with a wetter climate elevating levels of OH, HO2, H2O2, and the nitrate radical and increasing the atmosphere's near surface oxidation state. This differs from findings under the RCP scenarios that experience declines in OH from reduced NOx emissions, stratospheric recovery of O-3, and increases in CH4 and VOCs. Increasing NOx and O-3 levels enhances the nitrogen and O-3 deposition, indicating potentially enhanced crop damage and ecosystem stress under this scenario. The enhanced global aerosol level results in enhancements in aerosol optical depth, cloud droplet number concentration, and cloud optical thickness. This leads to dimming at the Earth's surface with a global average reduction in shortwave radiation of 1.2 W m(-2). This enhanced dimming leads to a more moderate warming trend and different trends in radiation than those found in NCAR's CCSM simulation, which does not include the advanced chemistry and aerosol treatment of GU-WRF/Chem and cannot simulate the impacts of changing climate and emissions with the same level of detailed treatments. This study indicates that effective climate mitigation and emission control strategies are needed to prevent future health impact and ecosystem stress. Further, studies that are used to develop these strategies should use fully coupled models with sophisticated chemical and aerosol-interaction treatments that can provide a more realistic representation of the atmosphere. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Glotfelty, Timothy; Zhang, Yang] N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Box 8208, Raleigh, NC 27695 USA. [Karamchandani, Prakash] ENVIRON Int Corp, Novato, CA USA. [Streets, David G.] Argonne Natl Lab, Energy Syst Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Zhang, Y (reprint author), N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Box 8208, Raleigh, NC 27695 USA. EM yang_zhang@ncsu.edu FU United States Environmental Protection Agency Science [R83337601]; National Sciences Foundation (NSF)/United State Department of Agriculture Earth System Modeling Program at NCSU [AGS-1049200] FX This work is supported by the United States Environmental Protection Agency Science to Achieve Results Program Grant no. R83337601 and the National Sciences Foundation (NSF)/United State Department of Agriculture Earth System Modeling Program Grant No. AGS-1049200 at NCSU. Thanks are due to Mark Richardson at Caltech and William C. Skamarock at NCAR, for developing global WRF on which the GU-WRF/Chem is based; Louisa Emmons and Francis Vitt at NCAR for providing CAM4 and MOZART4 emissions. Thanks are also due to Shuai Zhu, a former post-D researcher at NCSU, for adding the deposition fluxes in the model output. The model input data used to generate results presented in this paper will be available free of charge upon request, please contact Yang Zhang, yzhang9@ncsu.edu. NR 69 TC 1 Z9 1 U1 26 U2 54 PU PERGAMON-ELSEVIER SCIENCE LTD 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 AUG PY 2016 VL 139 BP 176 EP 191 DI 10.1016/j.atmosenv.2016.05.008 PG 16 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DQ3HR UT WOS:000379093900018 ER PT J AU Sun, K Qi, JJ Kang, W AF Sun, Kai Qi, Junjian Kang, Wei TI Power system observability and dynamic state estimation for stability monitoring using synchrophasor measurements SO CONTROL ENGINEERING PRACTICE LA English DT Article; Proceedings Paper CT IFAC World Congress CY 2014 CL Cape Town, SOUTH AFRICA SP IFAC DE Observability; Dynamic state estimation; Synchrophasor; PMUs; Rotor angle stability; Unscented Kalman filter ID PHASOR MEASUREMENT PLACEMENT; PARAMETER-ESTIMATION AB Growing penetration of intermittent resources such as renewable generations increases the risk of instability in a power grid. This paper introduces the concept of observability and its computational algorithms for a power grid monitored by the wide-area measurement system (WAMS) based on synchrophasors, e.g. phasor measurement units (PMUs). The goal is to estimate real-time states of generators, especially for potentially unstable trajectories, the information that is critical for the detection of rotor angle instability of the grid. The paper studies the number and siting of synchrophasors in a power grid so that the state of the system can be accurately estimated in the presence of instability. An unscented Kalman filter (UKF) is adopted as a tool to estimate the dynamic states that are not directly measured by synchrophasors. The theory and its computational algorithms are illustrated in detail by using a 9-bus 3-generator power system model and then tested on a 140-bus 48-generator Northeast Power Coordinating Council power grid model. Case studies on those two systems demonstrate the performance of the proposed approach using a limited number of synchrophasors for dynamic state estimation for stability assessment and its robustness against moderate inaccuracies in model parameters. Published by Elsevier Ltd. C1 [Sun, Kai] Univ Tennessee, Dept EECS, Knoxville, TN 37996 USA. [Qi, Junjian] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [Kang, Wei] Naval Postgrad Sch, Dept Appl Math, Monterey, CA 93943 USA. RP Sun, K (reprint author), Univ Tennessee, Dept EECS, Knoxville, TN 37996 USA. EM kaisun@utk.edu; jqi@anl.gov; wkang@nps.edu RI Qi, Junjian/F-9848-2013; OI Qi, Junjian/0000-0002-4043-9427; Sun, Kai/0000-0002-0305-2725 NR 30 TC 1 Z9 1 U1 4 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0967-0661 EI 1873-6939 J9 CONTROL ENG PRACT JI Control Eng. Practice PD AUG PY 2016 VL 53 SI SI BP 160 EP 172 DI 10.1016/j.conengprac.2016.01.013 PG 13 WC Automation & Control Systems; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA DQ1IW UT WOS:000378955700015 ER PT J AU Nyman, JS Granke, M Singleton, RC Pharr, GM AF Nyman, Jeffry S. Granke, Mathilde Singleton, Robert C. Pharr, George M. TI Tissue-Level Mechanical Properties of Bone Contributing to Fracture Risk SO CURRENT OSTEOPOROSIS REPORTS LA English DT Review DE Nanoindentation; Hardness; Viscoelasticity; Bound water; Bone quality; Spectroscopy ID FINITE-ELEMENT-ANALYSIS; HUMAN CORTICAL BONE; QUANTITATIVE COMPUTED-TOMOGRAPHY; REFERENCE-POINT INDENTATION; GLUCOCORTICOID-INDUCED OSTEOPOROSIS; HUMAN TRABECULAR BONE; IN-VIVO MEASUREMENT; FEMORAL-NECK; FRAGILITY FRACTURES; CANCELLOUS BONE AB Tissue-level mechanical properties characterize mechanical behavior independently of microscopic porosity. Specifically, quasi-static nanoindentation provides measurements of modulus (stiffness) and hardness (resistance to yielding) of tissue at the length scale of the lamella, while dynamic nanoindentation assesses time-dependent behavior in the form of storage modulus (stiffness), loss modulus (dampening), and loss factor (ratio of the two). While these properties are useful in establishing how a gene, signaling pathway, or disease of interest affects bone tissue, they generally do not vary with aging after skeletal maturation or with osteoporosis. Heterogeneity in tissue-level mechanical properties or in compositional properties may contribute to fracture risk, but a consensus on whether the contribution is negative or positive has not emerged. In vivo indentation of bone tissue is now possible, and the mechanical resistance to microindentation has the potential for improving fracture risk assessment, though determinants are currently unknown. C1 [Nyman, Jeffry S.; Granke, Mathilde] Vanderbilt Univ, Med Ctr, Dept Orthopaed Surg & Rehabil, 1215 21st Ave S,South Tower,Suite 4200, Nashville, TN 37232 USA. [Nyman, Jeffry S.; Granke, Mathilde] Tennessee Valley Healthcare Syst, Dept Vet Affairs, Nashville, TN 37212 USA. [Nyman, Jeffry S.; Granke, Mathilde] Vanderbilt Univ, Med Ctr, Ctr Bone Biol, Nashville, TN 37232 USA. [Nyman, Jeffry S.] Vanderbilt Univ, Dept Biomed Engn, Nashville, TN 37232 USA. [Singleton, Robert C.; Pharr, George M.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Pharr, George M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Nyman, JS (reprint author), Vanderbilt Univ, Med Ctr, Dept Orthopaed Surg & Rehabil, 1215 21st Ave S,South Tower,Suite 4200, Nashville, TN 37232 USA.; Nyman, JS (reprint author), Tennessee Valley Healthcare Syst, Dept Vet Affairs, Nashville, TN 37212 USA.; Nyman, JS (reprint author), Vanderbilt Univ, Med Ctr, Ctr Bone Biol, Nashville, TN 37232 USA.; Nyman, JS (reprint author), Vanderbilt Univ, Dept Biomed Engn, Nashville, TN 37232 USA. EM jeffry.s.nyman@vanderbilt.edu FU National Science Foundation [1069165] FX Part of this material is based upon work supported by the National Science Foundation under Grant No. 1069165. NR 98 TC 1 Z9 1 U1 5 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1544-2241 J9 CURR OSTEOPOROS REP JI Curr. Osteoporos. Rep. PD AUG PY 2016 VL 14 IS 4 BP 138 EP 150 DI 10.1007/s11914-016-0314-3 PG 13 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA DQ2FZ UT WOS:000379019100004 PM 27263108 ER PT J AU Pracheil, BM Adams, SM Bevelhimer, MS Fortner, AM Greeley, MS Murphy, CA Mathews, TJ Peterson, MJ AF Pracheil, Brenda M. Adams, S. Marshall Bevelhimer, Mark S. Fortner, Allison M. Greeley, Mark S., Jr. Murphy, Cheryl A. Mathews, Teresa J. Peterson, Mark J. TI Relating fish health and reproductive metrics to contaminant bioaccumulation at the Tennessee Valley Authority Kingston coal ash spill site SO ECOTOXICOLOGY LA English DT Article DE Coal-ash; Fish; Fish health; Bioaccumulation; Contaminant; Arsenic; Mercury; Selenium ID ENVIRONMENTAL IMPACTS; DAPHNIA-MAGNA; SELENIUM; MERCURY; POPULATIONS; EXPOSURE; METHYLMERCURY; INDICATORS; QUALITY AB A 4.1 million m(3) coal ash release into the Emory and Clinch rivers in December 2008 at the Tennessee Valley Authority's Kingston Fossil Plant in east Tennessee, USA, prompted a long-term, large-scale biological monitoring effort to determine if there are chronic effects of this spill on resident biota. Because of the magnitude of the ash spill and the potential for exposure to coal ash-associated contaminants [e.g., selenium (Se), arsenic (As), and mercury (Hg)] which are bioaccumulative and may present human and ecological risks, an integrative, bioindicator approach was used. Three species of fish were monitored-bluegill (Lepomis macrochirus), redear sunfish (L. microlophus), and largemouth bass (Micropterus salmoides)-at ash-affected and reference sites annually for 5 years following the spill. On the same individual fish, contaminant burdens were measured in various tissues, blood chemistry parameters as metrics of fish health, and various condition and reproduction indices. A multivariate statistical approach was then used to evaluate relationships between contaminant bioaccumulation and fish metrics to assess the chronic, sub-lethal effects of exposure to the complex mixture of coal ash-associated contaminants at and around the ash spill site. This study suggests that while fish tissue concentrations of some ash-associated contaminants are elevated at the spill site, there was no consistent evidence of compromised fish health linked with the spill. Further, although relationships between elevated fillet burdens of ash-associated contaminants and some fish metrics were found, these relationships were not indicative of exposure to coal ash or spill sites. The present study adds to the weight of evidence from prior studies suggesting that fish populations have not incurred significant biological effects from spilled ash at this site: findings that are relevant to the current national discussions on the safe disposal of coal ash waste. C1 [Pracheil, Brenda M.; Adams, S. Marshall; Bevelhimer, Mark S.; Fortner, Allison M.; Greeley, Mark S., Jr.; Mathews, Teresa J.; Peterson, Mark J.] Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. [Murphy, Cheryl A.] Michigan State Univ, Lyman Briggs Coll, Dept Fisheries & Wildlife, E Lansing, MI 48824 USA. RP Pracheil, BM (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM pracheilbm@ornl.gov FU Tennessee Valley Authority (TVA); US Department of Energy [DE-AC05-00OR22725] FX This research was sponsored by the Tennessee Valley Authority (TVA) and performed at Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, for the US Department of Energy under Contract DE-AC05-00OR22725. 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. Special thanks to C. Brandt, J. Smith, K. McCracken, C. Dunn, R. Vitale, K. Abbot, E. Rodgers, B. Rogers, M. Cagley, T. Baker, and N. Carriker. NR 34 TC 0 Z9 0 U1 19 U2 25 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0963-9292 EI 1573-3017 J9 ECOTOXICOLOGY JI Ecotoxicology PD AUG PY 2016 VL 25 IS 6 BP 1136 EP 1149 DI 10.1007/s10646-016-1668-0 PG 14 WC Ecology; Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA DQ2KQ UT WOS:000379031600008 PM 27154845 ER PT J AU Rumrill, CT Scott, DE Lance, SL AF Rumrill, Caitlin T. Scott, David E. Lance, Stacey L. TI Effects of metal and predator stressors in larval southern toads (Anaxyrus terrestris) SO ECOTOXICOLOGY LA English DT Article DE Amphibian; Ecotoxicology; Multiple stressors; Maternal effects; Copper; Predator-cue ID CHRONIC COPPER EXPOSURE; FROG RANA-SYLVATICA; GASTROPHRYNE-CAROLINENSIS; MATERNAL TRANSFER; PREY INTERACTIONS; AMBYSTOMA-OPACUM; LEOPARD FROGS; AMPHIBIANS; CONTAMINANTS; BEHAVIOR AB Natural and anthropogenic stressors typically do not occur in isolation; therefore, understanding ecological risk of contaminant exposure should account for potential interactions of multiple stressors. Realistically, common contaminants can also occur chronically in the environment. Because parental exposure to stressors may cause transgenerational effects on offspring, affecting their ability to cope with the same or novel environmental stressors, the exposure histories of generations preceding that being tested should be considered. To examine multiple stressor and parental exposure effects we employed a 2 x 2 x 2 factorial design in outdoor 1000-L mesocosms (n = 24). Larval southern toads (Anaxyrus terrestris), bred from parents collected from reference and metal-contaminated sites, were exposed to two levels of both an anthropogenic (copper-0, 30 A mu g/L Cu) and natural (predator cue - present/absent) stressor and reared to metamorphosis. Toads from the metal-contaminated parental source population were smaller at metamorphosis and had delayed development; i.e., a prolonged larval period. Similarly, larval Cu exposure also reduced size at metamorphosis and prolonged the larval period. We, additionally, observed a significant interaction between larval Cu and predator-cue exposure on larval period, wherein delayed emergence was only present in the 30-A mu g/L Cu treatments in the absence of predator cues. The presence of parental effects as well as an interaction between aquatic stressors on commonly measured endpoints highlight the importance of conducting multistressor studies across generations to obtain data that are more relevant to field conditions in order to determine population-level effects of contaminant exposure. C1 [Rumrill, Caitlin T.; Scott, David E.; Lance, Stacey L.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Lance, SL (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM lance@srel.uga.edu FU U.S. Department of Energy [DE-FC09-07SR22506] FX We thank R. Philipps and J. Seaman for help with metals analysis. We also thank R. Beasley, A. Coleman, R. W. Flynn, C. Love, and M. Winzeler for assitance with husbandry. An earlier version of this manuscript was improved by comments by R. Bringolf, A. Davis, R. W. Flynn and two anonymous reviewers. Project funding was provided by the Department of Energy National Nuclear Security Administration. This research was partially supported by U.S. Department of Energy under Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. This research made possible by the status of the SRS as a National Environmental Research Park (NERP), as well as the protection of research wetlands in the SRS Set-Aside Program. NR 54 TC 0 Z9 0 U1 7 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0963-9292 EI 1573-3017 J9 ECOTOXICOLOGY JI Ecotoxicology PD AUG PY 2016 VL 25 IS 6 BP 1278 EP 1286 DI 10.1007/s10646-016-1681-3 PG 9 WC Ecology; Environmental Sciences; Toxicology SC Environmental Sciences & Ecology; Toxicology GA DQ2KQ UT WOS:000379031600020 PM 27272662 ER PT J AU Brewer, SK McManamay, RA Miller, AD Mollenhauer, R Worthington, TA Arsuffi, T AF Brewer, Shannon K. McManamay, Ryan A. Miller, Andrew D. Mollenhauer, Robert Worthington, Thomas A. Arsuffi, Tom TI Advancing Environmental Flow Science: Developing Frameworks for Altered Landscapes and Integrating Efforts Across Disciplines SO ENVIRONMENTAL MANAGEMENT LA English DT Article DE Environmental flows; Human influence; Altered landscapes; Economic value of water ID REGULATED CALIFORNIA STREAM; TOTAL ECONOMIC VALUE; FRESH-WATER INFLOW; GRAVEL-BED RIVER; CONTINGENT VALUATION; ECOSYSTEM SERVICES; NATIVE FISH; WASTE-WATER; ECOLOGICAL CONSEQUENCES; HABITAT CHARACTERISTICS AB Environmental flows represent a legal mechanism to balance existing and future water uses and sustain non-use values. Here, we identify current challenges, provide examples where they are important, and suggest research advances that would benefit environmental flow science. Specifically, environmental flow science would benefit by (1) developing approaches to address streamflow needs in highly modified landscapes where historic flows do not provide reasonable comparisons, (2) integrating water quality needs where interactions are apparent with quantity but not necessarily the proximate factor of the ecological degradation, especially as frequency and magnitudes of inflows to bays and estuaries, (3) providing a better understanding of the ecological needs of native species to offset the often unintended consequences of benefiting non-native species or their impact on flows, (4) improving our understanding of the non-use economic value to balance consumptive economic values, and (5) increasing our understanding of the stakeholder socioeconomic spatial distribution of attitudes and perceptions across the landscape. Environmental flow science is still an emerging interdisciplinary field and by integrating socioeconomic disciplines and developing new frameworks to accommodate our altered landscapes, we should help advance environmental flow science and likely increase successful implementation of flow standards. C1 [Brewer, Shannon K.] Oklahoma State Univ, US Geol Survey, Oklahoma Cooperat Fish & Wildlife Res Unit, Stillwater, OK 74078 USA. [McManamay, Ryan A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Miller, Andrew D.; Mollenhauer, Robert; Worthington, Thomas A.] Oklahoma State Univ, Oklahoma Cooperat Fish & Wildlife Res Unit, Stillwater, OK 74078 USA. [Arsuffi, Tom] Texas Tech Univ, Llano River Field Stn, Junction, TX 76849 USA. RP Brewer, SK (reprint author), Oklahoma State Univ, US Geol Survey, Oklahoma Cooperat Fish & Wildlife Res Unit, Stillwater, OK 74078 USA. EM skbrewer@usgs.gov FU Oklahoma Water Resources Center housed in the Division of Agricultural Sciences and Natural Resources at Oklahoma State University FX This research is a contribution of the Oklahoma Cooperative Fish and Wildlife Research Unit (U.S. Geological Survey, Oklahoma Department of Wildlife Conservation, Oklahoma State University, and Wildlife Management Institute cooperating) and several other Big XII Universities (Kansas State University, West Virginia University, University of Texas, Austin, University of Kansas, Texas Tech University, University of Oklahoma, and Baylor University). Funding was provided by the Oklahoma Water Resources Center housed in the Division of Agricultural Sciences and Natural Resources at Oklahoma State University. Any use of trade, firm, or product names is for descriptive purposes only and does not imply endorsement by the U.S. Government. We thank Kansas University for organizing the Big XII Universities Water Workshop. We thank Garey Fox and two anonymous reviewers for providing helpful comments on an earlier draft. NR 204 TC 0 Z9 0 U1 14 U2 21 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0364-152X EI 1432-1009 J9 ENVIRON MANAGE JI Environ. Manage. PD AUG PY 2016 VL 58 IS 2 BP 175 EP 192 DI 10.1007/s00267-016-0703-5 PG 18 WC Environmental Sciences SC Environmental Sciences & Ecology GA DQ4FK UT WOS:000379159200001 PM 27177541 ER PT J AU Hafeznezami, S Zimmer-Faust, AG Dunne, A Tran, T Yang, C Lam, JR Reynolds, MD Davis, JA Jay, JA AF Hafeznezami, Saeedreza Zimmer-Faust, Amity G. Dunne, Aislinn Tran, Tiffany Yang, Chao Lam, Jacquelyn R. Reynolds, Matthew D. Davis, James A. Jay, Jennifer A. TI Adsorption and desorption of arsenate on sandy sediments from contaminated and uncontaminated saturated zones: Kinetic and equilibrium modeling SO ENVIRONMENTAL POLLUTION LA English DT Article DE Arsenic; Sediments; Adsorption; Desorption; Kinetic model; Adsorption isotherm ID LANGMUIR-FREUNDLICH ISOTHERM; FERRIC HYDROXIDE GFH; AQUEOUS-SOLUTIONS; COMPETITIVE ADSORPTION; SURFACE COMPLEXATION; WATER INTERFACE; OXIDE MINERALS; REMOVAL; ARSENIC(III); SOILS AB Application of empirical models to adsorption of contaminants on natural heterogeneous sorbents is often challenging due to the uncertainty associated with fitting experimental data and determining adjustable parameters. Sediment samples from contaminated and uncontaminated portions of a study site in Maine, USA were collected and investigated for adsorption of arsenate [As(V)]. Two kinetic models were used to describe the results of single solute batch adsorption experiments. Piecewise linear regression of data linearized to fit pseudo-first order kinetic model resulted in two distinct rates and a cutoff time point of 14-19 h delineating the biphasic behavior of solute adsorption. During the initial rapid adsorption stage, an average of 60-80% of the total adsorption took place. Pseudo-second order kinetic models provided the best fit to the experimental data (R-2 > 0.99) and were capable of describing the adsorption over the entire range of experiments. Both Langmuir and Freundlich isotherms provided reasonable fits to the adsorption data at equilibrium. Langmuir-derived maximum adsorption capacity (S-t) of the studied sediments ranged between 29 and 97 mg/kg increasing from contaminated to uncontaminated sites. Solid phase As content of the sediments ranged from 3.8 to 10 mg/kg and the As/Fe ratios were highest in the amorphous phase. High-pH desorption experiments resulted in a greater percentage of solid phase As released into solution from experimentally-loaded sediments than from the unaltered samples suggesting that As(V) adsorption takes place on different reversible and irreversible surface sites. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Hafeznezami, Saeedreza; Zimmer-Faust, Amity G.; Dunne, Aislinn; Tran, Tiffany; Yang, Chao; Lam, Jacquelyn R.; Jay, Jennifer A.] Univ Calif Los Angeles, Dept Civil & Environm Engn, 5732 Boelter Hall,Box 951593, Los Angeles, CA 90095 USA. [Reynolds, Matthew D.] Drumlin Environm LLC, 97 India St, Portland, ME 04101 USA. [Davis, James A.] Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Hafeznezami, S (reprint author), Univ Calif Los Angeles, Dept Civil & Environm Engn, 5732 Boelter Hall,Box 951593, Los Angeles, CA 90095 USA. EM saeedreza@ucla.edu RI Davis, James/G-2788-2015 FU Drumlin Environmental, LLC; National Science Foundation - American Recovery and Reinvestment Act (ARRA) [0963183] FX We gratefully acknowledge support from Drumlin Environmental, LLC for conducting this work. This material is based upon research performed in a renovated collaboratory by the National Science Foundation under Grant No. 0963183, which is an award funded under the American Recovery and Reinvestment Act of 2009 (ARRA). NR 49 TC 0 Z9 0 U1 11 U2 29 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 EI 1873-6424 J9 ENVIRON POLLUT JI Environ. Pollut. PD AUG PY 2016 VL 215 BP 290 EP 301 DI 10.1016/j.envpol.2016.05.029 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA DQ1KX UT WOS:000378961000032 PM 27218893 ER PT J AU Ardeljan, M Beyerlein, IJ McWilliams, BA Knezevic, M AF Ardeljan, Milan Beyerlein, Irene J. McWilliams, Brandon A. Knezevic, Marko TI Strain rate and temperature sensitive multi-level crystal plasticity model for large plastic deformation behavior: Application to AZ31 magnesium alloy SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Twinning; Crystal plasticity; Anisotropic material; Finite elements; T-CPFE UMAT ID CRYSTALLOGRAPHIC TEXTURE EVOLUTION; IMPLICIT FINITE-ELEMENTS; X-RAY-DIFFRACTION; POLYCRYSTALLINE HCP/BCC COMPOSITES; ZIRCONIUM SINGLE-CRYSTALS; SITU NEUTRON-DIFFRACTION; PRESSURE-DOUBLE-TORSION; FAST FOURIER-TRANSFORMS; IN-SITU; MECHANICAL RESPONSE AB In this work, we develop a multi-level constitutive model for polycrystalline metals that deform by a combination of elasticity, slip and deformation twinning. It involves a two level homogenization scheme, where the first level uses an upper bound Taylor-type crystal plasticity (T-CP) theory to relate the single-crystal scale to the polycrystal meso-scale and the second level employs an implicit finite elements (FE) approach to relate the meso-scale to the macro-scale. The latter relaxes the iso-strain constraints imposed by the Taylor model. As such, we name the model T-CPFE. At the single crystal level, the model features a dislocation-based hardening law providing the activation stresses that governs slip activity within the single crystals. For deformation twinning, it contains an advancement of a composite grain model that retains the total Lagrangian formulation. Here we use the T-CPFE model to analyze the mechanical response and microstructure evolution of extruded AZ31 Mg alloy samples in simple compression, tension, and torsion under strain rates ranging from 10(-4) s(-1) to 3000 s(-1) and temperatures ranging from 77 K to 423 K reported in Kabirian et al. (2015). Taking the experimentally measured initial texture and average grain size as inputs, the model successfully captures stress-strain responses, deformation texture evolution and twin volume fraction using a single set of material parameters associated with the thermally activated rate laws for dislocation density. The distinctions in flow stress evolution among the loading conditions result from differing relative amounts of slip and twinning activity, which the model internally adjusts based on evolution of slip and twin resistances in the response to the imposed loading conditions. Finally, we show that the T-CPFE model predictions of geometrical changes during compression compare favorably with corresponding geometry of samples deformed experimentally. For this application, it predicts the anisotropy and asymmetry of the material flow resulting from crystallographically soft-to-deform extension twinning and basal slip and hard-to-deform contraction twinning and pyramidal slip. The formulation developed is sufficiently general that the T-CPFE model can be applied to other materials that slip and twin. (C) 2016 Published by Elsevier Ltd. C1 [Ardeljan, Milan; Knezevic, Marko] Univ New Hampshire, Dept Mech Engn, 33 Acad Way,Kingsbury Hall,W119, Durham, NH 03824 USA. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [McWilliams, Brandon A.] US Army Res Lab, Weap & Mat Res Directorate, Aberdeen Proving Ground, MD 21005 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 FU Army Research Laboratory; Los Alamos National Laboratory Directed Research and Development (LDRD) project [ER20140348] FX This research was sponsored by the Army Research Laboratory and was accomplished under Cooperative Agreement Number W911NF-15-2-0084. IJB would like to acknowledge support through a Los Alamos National Laboratory Directed Research and Development (LDRD) project ER20140348. The authors would like to thank Dr. Farhoud Kabirian and Prof. Akhtar S. Khan for supplying the raw data sets from their article. NR 124 TC 3 Z9 3 U1 12 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD AUG PY 2016 VL 83 BP 90 EP 109 DI 10.1016/j.ijplas.2016.04.005 PG 20 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA DQ5YO UT WOS:000379281400006 ER PT J AU Upadhyay, MV Capolungo, L Taupin, V Fressengeas, C Lebensohn, RA AF Upadhyay, M. V. Capolungo, L. Taupin, V. Fressengeas, C. Lebensohn, R. A. TI A higher order elasto-viscoplastic model using fast Fourier transforms: Effects of lattice curvatures on mechanical response of nanocrystalline metals SO INTERNATIONAL JOURNAL OF PLASTICITY LA English DT Article DE Polycrystalline material; Grain boundaries; Dislocations; Curvatures; Stress relaxation ID CRYSTAL PLASTICITY; GRAIN-BOUNDARY; DISCLINATION FIELDS; GRADIENT THEORY; YIELD STRENGTH; COMPUTATIONAL DESCRIPTION; NANOSTRUCTURED MATERIALS; DEFORMATION MECHANISMS; DISCRETE DISCLINATIONS; NONLINEAR COMPOSITES AB In this work a couple stress continuum based elasto-viscoplastic fast Fourier transform model is developed with the intent to study the role of curvatures gradient of rotation on the local meso scale and effective macro scale mechanical response of nanocrystalline materials. Development of this model has led to the formulation of an extended periodic Lippmann Schwinger equation that accounts for couple stress equilibrium. In addition to the standard boundary conditions on strain rate and Cauchy stresses, the model allows imposing non-standard couple stress and curvature rate boundary conditions. Application to representative nanocrystalline microstructures reveals that elastic and plastic curvatures accommodate a part of the local and macroscopic Cauchy stresses. Next, grain boundary interfaces are characterized using curvatures that are representative of their structure and defect content. Depending on the magnitude and distribution of these curvatures, local stresses in the grain boundary neighborhood are generated that activate slip systems besides those fulfilling the Schmid criterion. Generation of both polar dislocations and disclinations as a possible plasticity mechanism in nanocrystalline materials is explored. At the macro scale, this results in a strain rate dependent "softening" or the inverse Hall-Petch effect. The modeling framework naturally captures this grain size effect without any ad hoc assumptions. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Upadhyay, M. V.; Capolungo, L.] Georgia Inst Technol, GW Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Upadhyay, M. V.; Capolungo, L.] Georgia Tech Lorraine, CNRS, F-57070 Metz, France. [Taupin, V.; Fressengeas, C.] Univ Lorraine, CNRS, Lab Etud Microstruct & Mecan Mat, F-57045 Metz, France. [Lebensohn, R. A.] Los Alamos Natl Lab, Mat Sci & Technol Div, MS G755, Los Alamos, NM 87845 USA. RP Upadhyay, MV (reprint author), Paul Scherrer Inst, WBBA 113, CH-5232 Villigen, Switzerland. EM manas.upadhyay@psi.ch RI Lebensohn, Ricardo/A-2494-2008; OI Lebensohn, Ricardo/0000-0002-3152-9105; Upadhyay, Manas/0000-0001-6490-869X FU ANR (Agence National de la Recherche) [ANR-11-JS09-007-01] FX M. V. Upadhyay, L. Capolungo, V. Taupin and C. Fressengeas would like to acknowledge the support of ANR (Agence National de la Recherche) under Grant ANR-11-JS09-007-01, NanoMec. NR 96 TC 1 Z9 1 U1 10 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0749-6419 EI 1879-2154 J9 INT J PLASTICITY JI Int. J. Plast. PD AUG PY 2016 VL 83 BP 126 EP 152 DI 10.1016/j.ijplas.2016.04.007 PG 27 WC Engineering, Mechanical; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA DQ5YO UT WOS:000379281400008 ER PT J AU Simon, SM Appel, JW Campusano, LE Choi, SK Crowley, KT Essinger-Hileman, T Gallardo, P Ho, SP Kusaka, A Nati, F Palma, GA Page, LA Raghunathan, S Staggs, ST AF Simon, S. M. Appel, J. W. Campusano, L. E. Choi, S. K. Crowley, K. T. Essinger-Hileman, T. Gallardo, P. Ho, S. P. Kusaka, A. Nati, F. Palma, G. A. Page, L. A. Raghunathan, S. Staggs, S. T. TI Characterizing Atacama B-mode Search Detectors with a Half-Wave Plate SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Atacama B-mode Search; Cosmic microwave background; Polarization; Half-wave plate ID GRAVITY-WAVES; POLARIZATION; SYSTEM AB The Atacama B-Mode Search (ABS) instrument is a cryogenic (10 K) crossed-Dragone telescope located at an elevation of 5190 m in the Atacama Desert in Chile that observed for three seasons between February 2012 and October 2014. ABS observed the cosmic microwave background (CMB) at large angular scales () to limit the B-mode polarization spectrum around the primordial B-mode peak from inflationary gravity waves at . The ABS focal plane consists of 480 transition-edge sensor (TES) bolometers. They are coupled to orthogonal polarizations from a planar ortho-mode transducer and observe at 145 GHz. ABS employs an ambient-temperature, rapidly rotating half-wave plate (HWP) to mitigate systematic effects and move the signal band away from atmospheric 1 / f noise, allowing for the recovery of large angular scales. We discuss how the signal at the second harmonic of the HWP rotation frequency can be used for data selection and for monitoring the detector responsivities. C1 [Simon, S. M.; Choi, S. K.; Crowley, K. T.; Ho, S. P.; Kusaka, A.; Page, L. A.; Staggs, S. T.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Appel, J. W.; Essinger-Hileman, T.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Campusano, L. E.; Raghunathan, S.] Univ Chile, Dept Astron, Santiago, Chile. [Gallardo, P.] Cornell Univ, Dept Phys, Ithaca, NY 14853 USA. [Kusaka, A.] Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Nati, F.] Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. [Palma, G. A.] Univ Chile, Dept Fis, FCFM, Santiago, Chile. RP Simon, SM (reprint author), Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. EM smstwo@princeton.edu RI Nati, Federico/I-4469-2016 OI Nati, Federico/0000-0002-8307-5088 FU NASA Space Technology Research Fellowship; NIST Innovations in Measurement Science Program; NSF [PHY-0355328, PHY-085587]; NASA [NNX08AE03G]; Wilkinson Misrahi funds; National Science Foundation [PHY-1066293]; Dicke Fellowship; U.S. Department of Energy [DE-AC02-05CH11231] FX This work is supported by a NASA Space Technology Research Fellowship. Work at NIST is supported by the NIST Innovations in Measurement Science Program. Work at Princeton University is supported by the NSF through Awards PHY-0355328 and PHY-085587, NASA through award NNX08AE03G, and Wilkinson Misrahi funds. PWV measurements were provided by APEX. SR acknowledges his CONICYT Ph.D. studentship, CONICYT Anillo Project (ACT No. 1122), and the Aspen Center for Physics, which is supported by National Science Foundation Grant PHY-1066293. A. K. was supported by a Dicke Fellowship. This work was supported in part by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 9 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2016 VL 184 IS 3-4 BP 534 EP 539 DI 10.1007/s10909-015-1370-2 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DQ2HF UT WOS:000379022700002 ER PT J AU Ponce, F Carpenter, MH Cantor, R Friedrich, S AF Ponce, F. Carpenter, M. H. Cantor, R. Friedrich, S. TI Superconducting Tunnel Junctions for High-Precision EUV Spectroscopy SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE EUV spectroscopy; Superconducting tunnel junctions; High energy resolution; High-accuracy calibration ID RESOLUTION AB We have characterized the photon response of superconducting tunnel junctions in the extreme ultraviolet energy range below 100 eV with a pulsed 355 nm laser. The detectors are operated at rates up to 5000 counts/s, are very linear in energy and have an energy resolution between 0.9 and 2 eV. We observe multiple peaks that correspond to an integer number of photons with a Poissonian probability distribution and that can be used for high-accuracy energy calibration. The uncertainty of the centroid depends on the detector resolution and the counting statistics and can be as low as 1 meV for well-separated peaks with 10 counts. We discuss the precision of the peak centroid as a function of detector resolution and total number of counts and the accuracy of the energy calibration. C1 [Ponce, F.; Friedrich, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Ponce, F.] Univ Calif Davis, Davis, CA 95616 USA. [Carpenter, M. H.; Cantor, R.] STAR Cryoelect, Santa Fe, NM 87508 USA. RP Ponce, F (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA.; Ponce, F (reprint author), Univ Calif Davis, Davis, CA 95616 USA. EM ponce10@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LLNL LDRD [14-LW-073]; U.S. DOE [DE-SC0004359, DE-SC0006214] FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. It was funded by the LLNL LDRD Grant 14-LW-073 and by U.S. DOE Grants DE-SC0004359 and DE-SC0006214. NR 6 TC 0 Z9 0 U1 4 U2 4 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2016 VL 184 IS 3-4 BP 694 EP 698 DI 10.1007/s10909-015-1443-2 PG 5 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DQ2HF UT WOS:000379022700026 ER PT J AU Suzuki, A Ade, P Akiba, Y Aleman, C Arnold, K Baccigalupi, C Barch, B Barron, D Bender, A Boettger, D Borrill, J Chapman, S Chinone, Y Cukierman, A Dobbs, M Ducout, A Dunner, R Elleflot, T Errard, J Fabbian, G Feeney, S Feng, C Fujino, T Fuller, G Gilbert, A Goeckner-Wald, N Groh, J Haan, T Hall, G Halverson, N Hamada, T Hasegawa, M Hattori, K Hazumi, M Hill, C Holzapfel, W Hori, Y Howe, L Inoue, Y Irie, F Jaehnig, G Jaffe, A Jeong, O Katayama, N Kaufman, J Kazemzadeh, K Keating, B Kermish, Z Keskitalo, R Kisner, T Kusaka, A Jeune, M Lee, A Leon, D Linder, E Lowry, L Matsuda, F Matsumura, T Miller, N Mizukami, K Montgomery, J Navaroli, M Nishino, H Peloton, J Poletti, D Puglisi, G Rebeiz, G Raum, C Reichardt, C Richards, P Ross, C Rotermund, K Segawa, Y Sherwin, B Shirley, I Siritanasak, P Stebor, N Stompor, R Suzuki, J Tajima, O Takada, S Takakura, S Takatori, S Tikhomirov, A Tomaru, T Westbrook, B Whitehorn, N Yamashita, T Zahn, A Zahn, O AF Suzuki, A. Ade, P. Akiba, Y. Aleman, C. Arnold, K. Baccigalupi, C. Barch, B. Barron, D. Bender, A. Boettger, D. Borrill, J. Chapman, S. Chinone, Y. Cukierman, A. Dobbs, M. Ducout, A. Dunner, R. Elleflot, T. Errard, J. Fabbian, G. Feeney, S. Feng, C. Fujino, T. Fuller, G. Gilbert, A. Goeckner-Wald, N. Groh, J. Haan, T. De Hall, G. Halverson, N. Hamada, T. Hasegawa, M. Hattori, K. Hazumi, M. Hill, C. Holzapfel, W. Hori, Y. Howe, L. Inoue, Y. Irie, F. Jaehnig, G. Jaffe, A. Jeong, O. Katayama, N. Kaufman, J. Kazemzadeh, K. Keating, B. Kermish, Z. Keskitalo, R. Kisner, T. Kusaka, A. Jeune, M. Le Lee, A. Leon, D. Linder, E. Lowry, L. Matsuda, F. Matsumura, T. Miller, N. Mizukami, K. Montgomery, J. Navaroli, M. Nishino, H. Peloton, J. Poletti, D. Puglisi, G. Rebeiz, G. Raum, C. Reichardt, C. Richards, P. Ross, C. Rotermund, K. Segawa, Y. Sherwin, B. Shirley, I. Siritanasak, P. Stebor, N. Stompor, R. Suzuki, J. Tajima, O. Takada, S. Takakura, S. Takatori, S. Tikhomirov, A. Tomaru, T. Westbrook, B. Whitehorn, N. Yamashita, T. Zahn, A. Zahn, O. TI The POLARBEAR-2 and the Simons Array Experiments SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Cosmic microwave background; Inflation; Gravitational weak lensing; Polarization; B-mode ID B-MODE POLARIZATION; SCALES AB We present an overview of the design and status of the Polarbear-2 and the Simons Array experiments. Polarbear-2 is a cosmic microwave background polarimetry experiment which aims to characterize the arc-minute angular scale B-mode signal from weak gravitational lensing and search for the degree angular scale B-mode signal from inflationary gravitational waves. The receiver has a 365 mm diameter focal plane cooled to 270 mK. The focal plane is filled with 7588 dichroic lenslet-antenna-coupled polarization sensitive transition edge sensor (TES) bolometric pixels that are sensitive to 95 and 150 GHz bands simultaneously. The TES bolometers are read-out by SQUIDs with 40 channel frequency domain multiplexing. Refractive optical elements are made with high-purity alumina to achieve high optical throughput. The receiver is designed to achieve noise equivalent temperature of 5.8 K in each frequency band. Polarbear-2 will deploy in 2016 in the Atacama desert in Chile. The Simons Array is a project to further increase sensitivity by deploying three Polarbear-2 type receivers. The Simons Array will cover 95, 150, and 220 GHz frequency bands for foreground control. The Simons Array will be able to constrain tensor-to-scalar ratio and sum of neutrino masses to at and to 40 meV. C1 [Barch, B.; Barron, D.; Chinone, Y.; Cukierman, A.; Goeckner-Wald, N.; Groh, J.; Haan, T. De; Hall, G.; Hill, C.; Holzapfel, W.; Hori, Y.; Jeong, O.; Lee, A.; Raum, C.; Richards, P.; Shirley, I.; Westbrook, B.; Whitehorn, N.; Zahn, O.] Univ Calif, Dept Phys, Berkeley, CA 94720 USA. [Suzuki, A.] Univ Calif, Radio Astron Lab, Berkeley, CA 94720 USA. [Fujino, T.; Irie, F.; Katayama, N.; Mizukami, K.; Yamashita, T.] Univ Tokyo, Kavli IPMU WPI, UTIAS, Chiba 2778583, Japan. [Ade, P.] Cardiff Univ, Sch Phys & Astron, Cardiff CF10 3XQ, Wales. [Hamada, T.; Hasegawa, M.; Hattori, K.; Nishino, H.; Segawa, Y.; Suzuki, J.; Tajima, O.; Takatori, S.; Tomaru, T.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Aleman, C.; Elleflot, T.; Fuller, G.; Howe, L.; Kaufman, J.; Kazemzadeh, K.; Keating, B.; Leon, D.; Lowry, L.; Matsuda, F.; Navaroli, M.; Siritanasak, P.; Stebor, N.; Zahn, A.] Univ Calif, Dept Phys, San Diego, CA 92093 USA. [Baccigalupi, C.; Fabbian, G.; Puglisi, G.] Int Sch Adv Studies SISSA, I-34136 Trieste, Italy. [Bender, A.] Argonne Natl Lab, Argonne, IL 60439 USA. [Borrill, J.; Keskitalo, R.; Kisner, T.] Lawrence Berkeley Natl Lab, Computat Cosmol Ctr, Berkeley, CA 94720 USA. [Chapman, S.; Ross, C.; Rotermund, K.; Tikhomirov, A.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 4R2, Canada. [Dobbs, M.; Gilbert, A.; Montgomery, J.] McGill Univ, Dept Phys, Montreal, PQ H3A 0G4, Canada. [Ducout, A.; Feeney, S.; Jaffe, A.] Imperial Coll London, Dept Phys, Blackett Lab, London SW7 2AZ, England. [Boettger, D.; Dunner, R.] Pontif Univ Catol, Dept Astron, Santiago, Chile. [Feng, C.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Halverson, N.; Jaehnig, G.] Univ Colorado, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Kermish, Z.] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Kusaka, A.; Linder, E.; Sherwin, B.] Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. [Jeune, M. Le; Peloton, J.; Poletti, D.; Stompor, R.] Univ Paris Diderot, AstroParticule & Cosmol, CEA Irfu, Obs Paris, Paris, France. [Matsumura, T.] Inst Space & Astronaut Studies ISAS, Tokyo, Japan. [Miller, N.] NASA Goddard Space Flight Ctr, Observat Cosmol Lab, Code 665, Greenbelt, MD 20771 USA. [Rebeiz, G.] Univ Calif, Dept Elect & Comp Engn, San Diego, CA 92093 USA. [Reichardt, C.] Univ Melbourne, Sch Phys, Parkville, Vic 3010, Australia. [Takada, S.] Natl Inst Fusion Sci, Toki, Gifu, Japan. [Akiba, Y.; Hazumi, M.; Inoue, Y.] SOKENDAI Kamiyamaguchi, Hayama, Miura, Kanagawa 2400115, Japan. [Arnold, K.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Takakura, S.] Osaka Univ, Dept Phys, Osaka, Japan. [Errard, J.] Inst Lagrange Paris ILP, Univ Sorbonne, F-75014 Paris, France. EM asuzuki@berkeley.edu OI Fabbian, Giulio/0000-0002-3255-4695; Reichardt, Christian/0000-0003-2226-9169; Chinone, Yuji/0000-0002-3266-857X FU MEXT Kahenhi [21111002]; NSF [AST-0618398]; NASA [NNG06GJ08G]; Simons Foundation; Natural Sciences and Engineering Research Council; Canadian Institute for Advanced Research; Japan Society for the Promotion of Science; CONICYT FX We acknowledge the support from the MEXT Kahenhi Grant 21111002, NSF Grant AST-0618398, NASA Grant NNG06GJ08G, The Simons Foundation, Natural Sciences and Engineering Research Council, Canadian Institute for Advanced Research, and Japan Society for the Promotion of Science, and the CONICYT provided invaluable funding and support. Detectors were fabricated at the Berkeley Marvell Nanofabrication laboratory. NR 22 TC 7 Z9 7 U1 6 U2 13 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2016 VL 184 IS 3-4 BP 805 EP 810 DI 10.1007/s10909-015-1425-4 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DQ2HF UT WOS:000379022700043 ER PT J AU Beeman, JW Bellini, F Benetti, P Cardani, L Casali, N Chiesa, D Clemenza, M Dafinei, I Di Domizio, S Ferroni, F Gironi, L Giuliani, A Gotti, C Maino, M Nagorny, SS Nisi, S Nones, C Pagnanini, L Pattavina, L Pessina, G Piperno, G Pirro, S Previtali, E Rusconi, C Schaffner, K Tomei, C Vignati, M AF Beeman, J. W. Bellini, F. Benetti, P. Cardani, L. Casali, N. Chiesa, D. Clemenza, M. Dafinei, I. Di Domizio, S. Ferroni, F. Gironi, L. Giuliani, A. Gotti, C. Maino, M. Nagorny, S. S. Nisi, S. Nones, C. Pagnanini, L. Pattavina, L. Pessina, G. Piperno, G. Pirro, S. Previtali, E. Rusconi, C. Schaffner, K. Tomei, C. Vignati, M. TI The LUCIFER Project: Achievements and Near Future Prospects SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Double beta decay; Cryogenic detector; Scintillating bolometer; Particle identification; Zinc selenide ID DOUBLE-BETA DECAY; RARE EVENTS; CRYSTALS; CUORE; SE-82; MASS AB In the view of exploring the inverted hierarchy region future experiments investigating the neutrinoless double beta decay have to demand for detectors with excellent energy resolution and zero background in the energy region of interest. Cryogenic scintillating bolometers are very suitable detectors for this task since they provide particle discrimination: the simultaneous detection of the phonon and light signal allows us to identify the interacting type of particle and thus guarantees a suppression of -induced backgrounds, the key-issue for next-generation tonne-scale bolometric experiments. The LUCIFER project aims at running the first array of enriched scintillating ZnSe bolometers (total mass of about 8kg of Se) with a background level as low as 10 counts/(keV kg y) in the energy region of interest. The main effort is currently focused on the finalization of the crystal growth procedure in order to achieve high quality ZnSe crystals both in terms of radiopurity and bolometric properties. We present results from tests of such crystals operated at mK temperatures which demonstrate the excellent background rejection capabilities of this detection approach towards a background-free demonstrator experiment. Besides, the high purity of the enriched Se material allows us to establish the most stringent limits on the half-life of the double beta decay of Se on excited levels. C1 [Beeman, J. W.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bellini, F.; Cardani, L.; Casali, N.; Ferroni, F.; Piperno, G.] Sapienza Univ Roma, Dipartimento Fis, I-00185 Rome, Italy. [Bellini, F.; Cardani, L.; Casali, N.; Dafinei, I.; Ferroni, F.; Piperno, G.; Tomei, C.; Vignati, M.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Benetti, P.] Univ Pavia, Dipartimento Chim, I-27100 Pavia, Italy. [Benetti, P.] Ist Nazl Fis Nucl, Sez Pavia, I-27100 Pavia, Italy. [Nisi, S.; Pattavina, L.; Pirro, S.; Schaffner, K.] Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, I-67010 Laquila, Italy. [Chiesa, D.; Clemenza, M.; Gironi, L.; Maino, M.] Univ Milano Bicocca, Dipartimento Fis, I-20126 Milan, Italy. [Chiesa, D.; Clemenza, M.; Gironi, L.; Gotti, C.; Maino, M.; Pessina, G.; Previtali, E.; Rusconi, C.] Ist Nazl Fis Nucl, Sez Milano Bicocca, I-20126 Milan, Italy. [Di Domizio, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Di Domizio, S.] Univ Genoa, Dipartimento Fis, I-16126 Genoa, Italy. [Giuliani, A.] Ctr Spectrometrie Masse, F-91405 Orsay, France. [Nagorny, S. S.; Pagnanini, L.; Schaffner, K.] Gran Sasso Sci Inst, I-67100 Laquila, Italy. [Nones, C.] SPP Ctr Saclay, CEA, Irfu, F-91191 Gif Sur Yvette, France. RP Schaffner, K (reprint author), Ist Nazl Fis Nucl, Lab Nazl Gran Sasso, I-67010 Laquila, Italy.; Schaffner, K (reprint author), Gran Sasso Sci Inst, I-67100 Laquila, Italy. EM karoline.schaeffner@lngs.infn.it RI Gironi, Luca/P-2860-2016; Pattavina, Luca/I-7498-2015; Pagnanini, Lorenzo/E-5348-2016; Bellini, Fabio/D-1055-2009; Casali, Nicola/C-9475-2017; Chiesa, Davide/H-7240-2014; Di Domizio, Sergio/L-6378-2014; OI Gironi, Luca/0000-0003-2019-0967; Pattavina, Luca/0000-0003-4192-849X; Pagnanini, Lorenzo/0000-0001-9498-5055; Bellini, Fabio/0000-0002-2936-660X; Clemenza, Massimiliano/0000-0002-8064-8936; Gotti, Claudio/0000-0003-2501-9608; Casali, Nicola/0000-0003-3669-8247; Chiesa, Davide/0000-0003-1978-1727; Di Domizio, Sergio/0000-0003-2863-5895; Cardani, Laura/0000-0001-5410-118X; Pessina, Gianluigi Ezio/0000-0003-3700-9757 NR 28 TC 0 Z9 0 U1 7 U2 8 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2016 VL 184 IS 3-4 BP 852 EP 858 DI 10.1007/s10909-015-1423-6 PG 7 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DQ2HF UT WOS:000379022700050 ER PT J AU Biassoni, M Brofferio, C Bucci, C Canonica, L di Vacri, ML Gorla, P Pavan, M Yeh, M AF Biassoni, M. Brofferio, C. Bucci, C. Canonica, L. di Vacri, M. L. Gorla, P. Pavan, M. Yeh, M. TI Rejection of Alpha Surface Background in Non-scintillating Bolometric Detectors: The ABSuRD Project SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Thermal detectors; Scintillation; Surface background AB Due to their excellent energy resolution values and the vast choice of possible materials, bolometric detectors are currently widely used in the physics of rare events. A limiting aspect for bolometers rises from their inability to discriminate among radiation types or surface from bulk events. It has been demonstrated that the main limitation to sensitivity for purely bolometric detectors is represented by surface alpha contaminations, causing a continuous background that cannot be discriminated. A new scintillation-based technique for the rejection of surface alpha background in non-scintillating bolometric experiments is proposed in this work. The idea is to combine a scintillating and a high sensitivity photon detector with a non-scintillating absorber. We present results showing the possibility to reject events due to alpha decay at or nearby the surface of the crystal. C1 [Biassoni, M.; Brofferio, C.; Pavan, M.] INFN, MIB, Sez Milano Bicocca, I-20133 Milan, Italy. [Bucci, C.; Canonica, L.; di Vacri, M. L.; Gorla, P.] INFN, Lab Nazl Gran Sasso, Assergi, AQ, Italy. [di Vacri, M. L.] Univ Aquila, Dipartimento Sci Fis & Chim, Laquila, Italy. [Yeh, M.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP di Vacri, ML (reprint author), INFN, Lab Nazl Gran Sasso, Assergi, AQ, Italy.; di Vacri, ML (reprint author), Univ Aquila, Dipartimento Sci Fis & Chim, Laquila, Italy. EM divacrim@lngs.infn.it OI Canonica, Lucia/0000-0001-8734-206X; pavan, maura/0000-0002-9723-7834 NR 7 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2016 VL 184 IS 3-4 BP 879 EP 884 DI 10.1007/s10909-015-1464-x PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DQ2HF UT WOS:000379022700054 ER PT J AU Croce, MP Hoover, AS Rabin, MW Bond, EM Wolfsberg, LE Schmidt, DR Ullom, JN AF Croce, M. P. Hoover, A. S. Rabin, M. W. Bond, E. M. Wolfsberg, L. E. Schmidt, D. R. Ullom, J. N. TI Quantitative Analysis of Plutonium Content in Particles Collected from a Certified Reference Material by Total Nuclear Reaction Energy (Q Value) Spectroscopy SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Microcalorimeter Q value spectroscopy; Plutonium particles ID DETECTORS AB Microcalorimeters with embedded radioisotopes are an emerging category of sensor with advantages over existing methods for isotopic analysis of trace-level nuclear materials. For each nuclear decay, the energy of all decay products captured by the absorber (alpha particles, gamma rays, X-rays, electrons, daughter nuclei, etc.) is measured in one pulse. For alpha-decaying isotopes, this gives a measurement of the total nuclear reaction energy (Q value) and the spectra consist of well-separated, narrow peaks. We have demonstrated a simple mechanical alloying process to create an absorber structure consisting of a gold matrix with small inclusions of a radioactive sample. This absorber structure provides an optimized energy thermalization environment, resulting in high-resolution spectra with minimal tailing. We have applied this process to the analysis of particles collected from the surface of a plutonium metal certified reference material (CRM-126A from New Brunswick Laboratory) and demonstrated isotopic analysis by microcalorimeter Q value spectroscopy. Energy resolution from the Gaussian component of a Bortels function fit was 1.3 keV FWHM at 5244 keV. The collected particles were integrated directly into the detector absorber without any chemical processing. The Pu/Pu and Pu/Pu mass ratios were measured and the results confirmed against the certificate of analysis for the reference material. We also demonstrated inter-element analysis capability by measuring the Am/Pu mass ratio. C1 [Croce, M. P.; Hoover, A. S.; Rabin, M. W.; Bond, E. M.; Wolfsberg, L. E.] Los Alamos Natl Lab, Los Alamos, NM USA. [Schmidt, D. R.; Ullom, J. N.] NIST, Boulder, CO USA. RP Croce, MP (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM mpcroce@lanl.gov FU U.S. Department of Energy, National Nuclear Security Agency, Office of Defense Nuclear Nonproliferation FX We gratefully acknowledge the support of the U.S. Department of Energy, National Nuclear Security Agency, Office of Defense Nuclear Nonproliferation. NR 9 TC 0 Z9 0 U1 3 U2 4 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2016 VL 184 IS 3-4 BP 938 EP 943 DI 10.1007/s10909-016-1595-8 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DQ2HF UT WOS:000379022700062 ER PT J AU Croce, MP Rabin, MW Mocko, V Kunde, GJ Birnbaum, ER Bond, EM Engle, JW Hoover, AS Nortier, FM Pollington, AD Taylor, WA Weisse-Bernstein, NR Wolfsberg, LE Hays-Wehle, JP Schmidt, DR Swetz, DS Ullom, JN Barnhart, TE Nickles, RJ AF Croce, M. P. Rabin, M. W. Mocko, V. Kunde, G. J. Birnbaum, E. R. Bond, E. M. Engle, J. W. Hoover, A. S. Nortier, F. M. Pollington, A. D. Taylor, W. A. Weisse-Bernstein, N. R. Wolfsberg, L. E. Hays-Wehle, J. P. Schmidt, D. R. Swetz, D. S. Ullom, J. N. Barnhart, T. E. Nickles, R. J. TI Development of Holmium-163 Electron-Capture Spectroscopy with Transition-Edge Sensors SO JOURNAL OF LOW TEMPERATURE PHYSICS LA English DT Article DE Neutrino mass; Electron-capture spectroscopy; Holmium-163 ID NEUTRINO MASS MEASUREMENTS; MICROCALORIMETER DETECTORS; DECAY AB Calorimetric decay energy spectroscopy of electron-capture-decaying isotopes is a promising method to achieve the sensitivity required for electron neutrino mass measurement. The very low total nuclear decay energy 3 keV) and short half-life (4570 years) of Ho make it attractive for high-precision electron-capture spectroscopy (ECS) near the kinematic endpoint, where the neutrino momentum goes to zero. In the ECS approach, an electron-capture-decaying isotope is embedded inside a microcalorimeter designed to capture and measure the energy of all the decay radiation except that of the escaping neutrino. We have developed a complete process for proton irradiation-based isotope production, isolation, and purification of Ho. We have developed transition-edge sensors for this measurement and methods for incorporating Ho into high-resolution microcalorimeters, and have measured the electron-capture spectrum of Ho. We present our work in these areas and discuss the measured spectrum and its comparison to current theory. C1 [Croce, M. P.; Rabin, M. W.; Mocko, V.; Kunde, G. J.; Birnbaum, E. R.; Bond, E. M.; Engle, J. W.; Hoover, A. S.; Nortier, F. M.; Pollington, A. D.; Taylor, W. A.; Weisse-Bernstein, N. R.; Wolfsberg, L. E.] Los Alamos Natl Lab, Los Alamos, NM USA. [Hays-Wehle, J. P.; Schmidt, D. R.; Swetz, D. S.; Ullom, J. N.] NIST, Boulder, CO USA. [Barnhart, T. E.; Nickles, R. J.] Univ Wisconsin, Madison, WI USA. RP Croce, MP (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM mpcroce@lanl.gov OI Pollington, Anthony/0000-0002-0678-9271; Nortier, Francois/0000-0002-7549-8101; Mocko, Veronika/0000-0001-6041-6778 FU Laboratory-Directed R&D Program of Los Alamos National Laboratory; U.S. Department of Energy, Office of Science, Nuclear Physics, Isotope Program; Center for Integrated Nanotechnologies, an Office of Science User Facility FX We gratefully acknowledge support of the Laboratory-Directed R&D Program of Los Alamos National Laboratory; the U.S. Department of Energy, Office of Science, Nuclear Physics, Isotope Program; and the Center for Integrated Nanotechnologies, an Office of Science User Facility. We thank M. Caro and J. K. Baldwin for assistance in fabrication of nanoporous gold, and A. Faessler and A. De Rujula for discussion of ECS theory. NR 21 TC 2 Z9 2 U1 1 U2 3 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2291 EI 1573-7357 J9 J LOW TEMP PHYS JI J. Low Temp. Phys. PD AUG PY 2016 VL 184 IS 3-4 BP 958 EP 968 DI 10.1007/s10909-015-1451-2 PG 11 WC Physics, Applied; Physics, Condensed Matter SC Physics GA DQ2HF UT WOS:000379022700065 ER PT J AU He, Y Min, MS Nicholls, DP AF He, Ying Min, Misun Nicholls, David P. TI A Spectral Element Method with Transparent Boundary Condition for Periodic Layered Media Scattering SO JOURNAL OF SCIENTIFIC COMPUTING LA English DT Article DE Spectral element method; Transparent boundary condition; Dirichlet-to-Neumann map; Periodic layered media; Scattering ID DIRICHLET-NEUMANN OPERATORS; ROUGH-SURFACE SCATTERING; HIGH-ORDER METHOD; DTN-FE METHOD; ELECTROMAGNETIC SCATTERING; DIFFRACTION PROBLEMS; NUMERICAL-SOLUTION; IMPROVED FORMALISM; FINITE-ELEMENTS; GRATINGS AB We present a high-order spectral element method for solving layered media scattering problems featuring an operator that can be used to transparently enforce the far-field boundary condition. The incorporation of this Dirichlet-to-Neumann (DtN) map into the spectral element framework is a novel aspect of this work, and the resulting method can accommodate plane-wave radiation of arbitrary angle of incidence. In order to achieve this, the governing Helmholtz equations subject to quasi-periodic boundary conditions are rewritten in terms of periodic unknowns. We construct a spectral element operator to approximate the DtN map, thus ensuring nonreflecting outgoing waves on the artificial boundaries introduced to truncate the computational domain. We present an explicit formula that accurately computes the Fourier coefficients of the solution in the spectral element discretization space projected onto the boundary which is required by the DtN map. Our solutions are represented by the tensor product basis of one-dimensional Legendre-Lagrange interpolation polynomials based on the Gauss-Lobatto-Legendre grids. We study the scattered field in singly and doubly layered media with smooth and nonsmooth interfaces. We consider rectangular, triangular, and sawtooth interfaces that are accurately represented by the body-fitted quadrilateral elements. We use GMRES iteration to solve the resulting linear system, and we validate our results by demonstrating spectral convergence in comparison with exact solutions and the results of an alternative computational method. C1 [He, Ying] Univ Calif Davis, Dept Math, Davis, CA 95616 USA. [Min, Misun] Argonne Natl Lab, Div Math & Comp Sci, Lemont, IL 60439 USA. [Nicholls, David P.] Univ Illinois, Dept Math Stat & Comp Sci, Chicago, IL 60607 USA. RP Min, MS (reprint author), Argonne Natl Lab, Div Math & Comp Sci, Lemont, IL 60439 USA. EM yinghe@math.ucdavis.edu; mmin@mcs.anl.gov; davidn@uic.edu FU U.S. Department of Energy Office of Science [DE-SC-0001234]; NSF [DMS-1115333] FX This material is based upon work supported in part by the U.S. Department of Energy Office of Science, under Contract Number DE-SC-0001234, and in part by an NSF Grant No. DMS-1115333. NR 37 TC 1 Z9 1 U1 2 U2 4 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0885-7474 EI 1573-7691 J9 J SCI COMPUT JI J. Sci. Comput. PD AUG PY 2016 VL 68 IS 2 BP 772 EP 802 DI 10.1007/s10915-015-0158-5 PG 31 WC Mathematics, Applied SC Mathematics GA DQ6QH UT WOS:000379329500014 ER PT J AU Chen, J McInnes, LC Zhang, H AF Chen, Jie McInnes, Lois C. Zhang, Hong TI Analysis and Practical Use of Flexible BiCGStab SO JOURNAL OF SCIENTIFIC COMPUTING LA English DT Article DE Krylov method; BiCGStab; Variable preconditioning; Extreme-scale simulation ID NONSYMMETRIC LINEAR-SYSTEMS; KRYLOV SUBSPACE METHODS; BI-CGSTAB; INNER; ALGORITHM; GMRES; ITERATIONS; FAMILY AB A flexible version of the BiCGStab algorithm for solving a linear system of equations is analyzed. We show that under variable preconditioning, the perturbation to the outer residual norm is of the same order as that to the application of the preconditioner. Hence, in order to maintain a similar convergence behavior to BiCGStab while reducing the preconditioning cost, the flexible version can be used with a moderate tolerance in the preconditioning Krylov solves. We explored the use of flexible BiCGStab in a large-scale reacting flow application, PFLOTRAN, and showed that the use of a variable multigrid preconditioner significantly accelerates the simulation time on extreme-scale computers using - processor cores. C1 [Chen, Jie] IBM Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. [McInnes, Lois C.; Zhang, Hong] Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Chen, J (reprint author), IBM Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. EM chenjie@us.ibm.com FU Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX We thank Satish Balay, Jed Brown and Barry Smith for insightful discussions and assistance with experiments. The authors were supported by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357. Part of Jie Chen's work was conducted when he was with Argonne National Laboratory. NR 41 TC 0 Z9 0 U1 5 U2 6 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0885-7474 EI 1573-7691 J9 J SCI COMPUT JI J. Sci. Comput. PD AUG PY 2016 VL 68 IS 2 BP 803 EP 825 DI 10.1007/s10915-015-0159-4 PG 23 WC Mathematics, Applied SC Mathematics GA DQ6QH UT WOS:000379329500015 ER PT J AU Naumenko, D Pint, BA Quadakkers, WJ AF Naumenko, D. Pint, B. A. Quadakkers, W. J. TI Current Thoughts on Reactive Element Effects in Alumina-Forming Systems: In Memory of John Stringer SO OXIDATION OF METALS LA English DT Review DE Reactive element effect; Alumina-forming alloys and coatings; Effect of C, N, and O impurities ID HIGH-TEMPERATURE OXIDATION; THERMAL BARRIER COATINGS; GRAIN-BOUNDARY SEGREGATION; OXIDE-SCALE ADHESION; CR-AL ALLOYS; GROWTH-MECHANISMS; FECRAL-ALLOYS; BOND COAT; CYCLIC OXIDATION; CREEP RESISTANCE AB In memory of John Stringer (1934-2014), one of the leaders in studying the reactive element (RE) effects, this paper reviews the current status of understanding of the effect of RE dopants on high-temperature oxidation behavior, with an emphasis on recent research related to deploying alumina-forming alloys and coatings with optimal performance in commercial systems. In addition to the well-known interaction between indigenous sulfur and RE additions, effects have been observed with C, N, and O found in commercial alloys and coatings. While there are many similarities between alumina-forming alloys and coatings, the latter bring additional complicating factors such as the effects of O incorporation during thermal spraying MCrAlY coatings, coating roughness, and heat treatments that must be considered in optimizing the beneficial dopant addition. Analogies can be seen between RE effects in alloys and in the substrates beneath diffusion M-Al coatings. Recently, there has been more interest in the influence of mixed oxidant environments, since these may modify the manifestation of the RE effect. Finally, some thoughts are provided on optimizing the RE benefit and modeling oxidation of RE-doped alloys. C1 [Naumenko, D.; Quadakkers, W. J.] Forschungszentrum Julich, Inst Energy & Climate Res IEK 2, D-52425 Julich, Germany. [Pint, B. A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN USA. RP Naumenko, D (reprint author), Forschungszentrum Julich, Inst Energy & Climate Res IEK 2, D-52425 Julich, Germany. EM d.naumenko@fz-juelich.de FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office; Combined Heat and Power; German research foundation [NA 615-2] FX BAP was supported by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office (including Combined Heat and Power). Part of the work of DN was supported by the German research foundation in the frame of Emmy-Noether-Program (Grant-No. NA 615-2). The help of the following colleagues from the Forschungszentrum Julich GmbH is gratefully acknowledged: Dr. E. Wessel (SEM-studies), Dr. L. Niewolak (SNMS studies), V. Gutzeit, J. Bartsch (optical metallography), R. Mahnke, H. Cosler, and A. Kick (oxidation experiments). The authors also appreciate the comments on the manuscript from P. F. Tortorelli, S. Dryepondt, I. G. Wright, and J. L. Smialek. NR 148 TC 3 Z9 3 U1 24 U2 40 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0030-770X EI 1573-4889 J9 OXID MET JI Oxid. Met. PD AUG PY 2016 VL 86 IS 1-2 BP 1 EP 43 DI 10.1007/s11085-016-9625-0 PG 43 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA DQ4LI UT WOS:000379175000001 ER PT J AU de Foy, B Lu, ZF Streets, DG AF de Foy, Benjamin Lu, Zifeng Streets, David G. TI Impacts of control strategies, the Great Recession and weekday variations on NO2 columns above North American cities SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Satellite retrieval; OMI NO2; NOx emissions; Emission inventory; Recession; Weekend effect ID OZONE MONITORING INSTRUMENT; TROPOSPHERIC NO2; UNITED-STATES; AIR-QUALITY; SATELLITE RETRIEVALS; ATMOSPHERIC COMPOSITION; VEHICLE EMISSIONS; OMI; TRENDS; POLLUTION AB The Ozone Monitoring Instrument (OMI) has been estimating NO2 columns from space for over 10 years, and these have been used to estimate emissions and emission trends for point and area sources all over the world. In this study we evaluate the trends in NO2 columns over 54 cities in the USA and Canada to identify the long term trends due to air quality policies, the impact of the Great Recession, and the weekday-weekend effect. A multiple linear regression model is used to fit annual, seasonal and weekly factors for individual swath retrievals along with the impact of temperature, wind speed and pixel size. For most cities, the correlation coefficients of the model fit ranges from 0.47 to 0.76. There have been strong reductions in NO2 columns, with annual decreases of up to 7% per year in most cities. During the years of the Great Recession, NO2 columns were as much as 30% lower than they would have been had they followed the linear annual trend. The analysis yielded insights into the timing of the reductions, with some cities in the northwest and in the east experiencing reductions in 2008 already, and most areas back to where they would have been based on the uniform trend by 2011. The analysis also finds that reductions in columns during the weekend vary significantly from city to city, with a range in reductions of 10%-30% on Saturdays, and 20%-50% on Sundays. (C) 2016 Elsevier Ltd. All rights reserved. C1 [de Foy, Benjamin] St Louis Univ, Dept Earth & Atmospher Sci, St Louis, MO 63103 USA. [Lu, Zifeng; Streets, David G.] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. RP de Foy, B (reprint author), St Louis Univ, Dept Earth & Atmospher Sci, St Louis, MO 63103 USA. EM bdefoy@slu.edu RI de Foy, Benjamin/A-9902-2010 OI de Foy, Benjamin/0000-0003-4150-9922 FU NASA Air Quality Applied Sciences Team (AQAST) program, NASA grant [NNX11AJ63G] FX This research was funded by the NASA Air Quality Applied Sciences Team (AQAST) program, NASA grant #NNX11AJ63G, including funding for the AQAST Tiger Team "Relationships and trends among satellite NO2 columns, NOx, emissions, and air quality in North America." We are grateful for valuable comments and discussion from the team members and the team leader and assistant leader, Daniel J. Jacob and Tracey Holloway. We thank the anonymous reviewers for suggesting improvements to the paper. NR 39 TC 2 Z9 2 U1 6 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD 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 AUG PY 2016 VL 138 BP 74 EP 86 DI 10.1016/j.atmosenv.2016.04.038 PG 13 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA DP4FO UT WOS:000378451900008 ER PT J AU Gonze, X Jollet, F Araujo, FA Adams, D Amadon, B Applencourt, T Audouze, C Beuken, JM Bieder, J Bokhanchuk, A Bousquet, E Bruneval, F Caliste, D Cote, M Dahm, F Da Pieve, F Delaveau, M Di Gennaro, M Dorado, B Espejo, C Geneste, G Genovese, L Gerossier, A Giantomassi, M Gillet, Y Hamann, DR He, L Jomard, G Janssen, JL Le Roux, S Levitt, A Lherbier, A Liu, F Lukacevic, I Martin, A Martins, C Oliveira, MJT Ponce, S Pouillon, Y Rangel, T Rignanese, GM Romero, AH Rousseau, B Rubel, O Shukri, AA Stankovski, M Torrent, M Van Setten, MJ Van Troeye, B Verstraete, MJ Waroquiers, D Wiktor, J Xu, B Zhou, A Zwanziger, JW AF Gonze, X. Jollet, F. Araujo, F. Abreu Adams, D. Amadon, B. Applencourt, T. Audouze, C. Beuken, J. -M. Bieder, J. Bokhanchuk, A. Bousquet, E. Bruneval, F. Caliste, D. Cote, M. Dahm, F. Da Pieve, F. Delaveau, M. Di Gennaro, M. Dorado, B. Espejo, C. Geneste, G. Genovese, L. Gerossier, A. Giantomassi, M. Gillet, Y. Hamann, D. R. He, L. Jomard, G. Janssen, J. Laflamme Le Roux, S. Levitt, A. Lherbier, A. Liu, F. Lukacevic, I. Martin, A. Martins, C. Oliveira, M. J. T. Ponce, S. Pouillon, Y. Rangel, T. Rignanese, G. -M. Romero, A. H. Rousseau, B. Rubel, O. Shukri, A. A. Stankovski, M. Torrent, M. Van Setten, M. J. Van Troeye, B. Verstraete, M. J. Waroquiers, D. Wiktor, J. Xu, B. Zhou, A. Zwanziger, J. W. TI Recent developments in the ABINIT software package SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE First-principles calculation; Electronic structure; Density Functional Theory; Many-Body Perturbation Theory ID DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE CALCULATIONS; MEAN-FIELD THEORY; SPACE GAUSSIAN PSEUDOPOTENTIALS; DER-WAALS INTERACTIONS; AB-INITIO CALCULATION; TEMPERATURE-DEPENDENCE; MOLECULAR-DYNAMICS; OPTICAL-RESPONSE; PERTURBATION-THEORY AB ABINIT is a package whose main program allows one to find the total energy, charge density, electronic structure and many other properties of systems made of electrons and nuclei, (molecules and periodic solids) within Density Functional Theory (DFT), Many-Body Perturbation Theory (GW approximation and Bethe Salpeter equation) and Dynamical Mean Field Theory (DMFT). ABINIT also allows to optimize the geometry according to the DFT forces and stresses, to perform molecular dynamics simulations using these forces, and to generate dynamical matrices, Born effective charges and dielectric tensors. The present paper aims to describe the new capabilities of ABINIT that have been developed since 2009. It covers both physical and technical developments inside the ABINIT code, as well as developments provided within the ABINIT package. The developments are described with relevant references, input variables, tests and tutorials. (C) 2016 Elsevier B.V. All rights reserved. C1 [Gonze, X.; Araujo, F. Abreu; Beuken, J. -M.; Da Pieve, F.; Di Gennaro, M.; Giantomassi, M.; Gillet, Y.; Janssen, J. Laflamme; Le Roux, S.; Lherbier, A.; Ponce, S.; Rignanese, G. -M.; Van Setten, M. J.; Van Troeye, B.; Waroquiers, D.] Catholic Univ Louvain, Louvain La Neuve, Belgium. [Gonze, X.; Beuken, J. -M.; Da Pieve, F.; Di Gennaro, M.; Giantomassi, M.; Gillet, Y.; Janssen, J. Laflamme; Le Roux, S.; Lherbier, A.; Oliveira, M. J. T.; Ponce, S.; Rignanese, G. -M.; Van Setten, M. J.; Van Troeye, B.; Verstraete, M. J.; Waroquiers, D.; Xu, B.] ETSF, Louvain La Neuve, Belgium. [Jollet, F.; Adams, D.; Amadon, B.; Applencourt, T.; Audouze, C.; Bieder, J.; Dahm, F.; Delaveau, M.; Dorado, B.; Geneste, G.; Gerossier, A.; Levitt, A.; Martin, A.; Martins, C.; Rangel, T.; Torrent, M.] CEA DAM DIF, F-91297 Arpajon, France. [Zwanziger, J. W.] Dalhousie Univ, Dept Chem, Halifax, NS, Canada. [Zwanziger, J. W.] Dalhousie Univ, Inst Mat Res, Halifax, NS, Canada. [Bousquet, E.; Di Gennaro, M.; Verstraete, M. J.; Xu, B.] Univ Liege, Dept Phys, Q Mat, B-4000 Liege, Belgium. [Bruneval, F.; Shukri, A. A.] CEA, DEN, Serv Rech Met Phys, F-91191 Gif Sur Yvette, France. [Caliste, D.; Genovese, L.] UMR E CEA UJF Grenoble 1, INAC, SP2M, Lab Simulat Atomist L Sim, F-38054 Grenoble, France. [Cote, M.; Rousseau, B.] Univ Montreal, Dept Phys, CP 6128, Montreal, PQ H3C 3J7, Canada. [Pouillon, Y.] Euskal Herriko Unibertsitatea & Mat Evolut, Donostia San Sebastian, Spain. [Oliveira, M. J. T.] Univ Coimbra, Dept Phys, CFisUC, P-3004516 Coimbra, Portugal. [Bokhanchuk, A.] Thunder Bay Reg Res Inst, 980 Oliver Rd, Thunder Bay, ON, Canada. [Bokhanchuk, A.] Confederat Coll, 1450 Nakina Dr, Thunder Bay, ON, Canada. [He, L.; Zhou, A.] Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math & Sci Engn Comp, LSEC, Beijing 100190, Peoples R China. [He, L.] Chinese Acad Sci, Supercomp Ctr, Comp Network Informat Ctr, Beijing 100190, Peoples R China. [Liu, F.] Cent Univ Finance & Econ, Sch Math & Stat, Beijing 100081, Peoples R China. [Hamann, D. R.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Hamann, D. R.] Mat Sim Res LLC, POB 742, Murray Hill, NJ 07974 USA. [Jomard, G.] CEA, DEN, DEC, Ctr Cadarache, F-13108 St Paul Les Durance, France. [Stankovski, M.] Lund Univ, LU OPEN, Box 117, SE-22100 Lund, Sweden. [Rubel, O.] McMaster Univ, Dept Mat Sci & Engn, 1280 Main St W, Hamilton, ON, Canada. [Lukacevic, I.] Univ JJ Strossmayer, Dept Phys, Osijek, Croatia. [Romero, A. H.] W Virginia Univ, Dept Phys, Morgantown, WV 26506 USA. [Araujo, F. Abreu] Univ Paris Saclay, Univ Paris 11, CNRS, Unite Mixte Phys, F-91767 Palaiseau, France. [Adams, D.] Empa, Swiss Fed Labs Mat Sci & Technol, Nanotech Surfaces Lab, Dubendorf, Switzerland. [Applencourt, T.; Martins, C.] CNRS, IRSAMC, UMR 5626, Lab Chim & Phys Quant, 118 Route Narbonne, F-31062 Toulouse, France. [Applencourt, T.; Martins, C.] Univ Toulouse UPS, 118 Route Narbonne, F-31062 Toulouse, France. [Audouze, C.] Univ Toronto, Inst Aerosp Studies UTIAS, 4925 Dufferin St, N York, ON M3H 5T6, Canada. [Levitt, A.] Univ Paris Est, CERMICS ENPC, INRIA, F-77455 Marne La Vallee, France. [Ponce, S.] Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England. Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Rousseau, B.] Via Sci, Montreal, PQ H3J 1R4, Canada. [Xu, B.] Univ Arkansas, Dept Phys, Fayetteville, AR 72701 USA. [Xu, B.] Univ Arkansas, Inst Nanosci & Engn, Fayetteville, AR 72701 USA. [Espejo, C.] Univ Jorge Tadeo Lozano, Dept Ciencias Basicas, Bogota, Colombia. RP Jollet, F (reprint author), CEA DAM DIF, F-91297 Arpajon, France. EM francois.jollet@cea.fr RI Oliveira, Micael/C-6186-2008; Bruneval, Fabien/C-6923-2009; van Setten, Michiel/B-2766-2008; Pouillon, Yann/F-7168-2011; Genovese, Luigi/C-5937-2011; Rignanese, Gian-Marco/A-7435-2008; Xu, Bin/I-2158-2014; OI Oliveira, Micael/0000-0003-1364-0907; Bruneval, Fabien/0000-0003-0885-8960; van Setten, Michiel/0000-0003-0557-5260; Pouillon, Yann/0000-0001-9850-2129; Genovese, Luigi/0000-0003-1747-0247; Rignanese, Gian-Marco/0000-0002-1422-1205; Xu, Bin/0000-0002-0107-0727; Gillet, Yannick/0000-0001-6201-0317; Verstraete, Matthieu/0000-0001-6921-5163; Caliste, Damien/0000-0002-4967-9275 FU FRS-FNRS (Belgium); PDR [AIXPHO T.0238.13]; FRFC [2.4.589.09.F]; Communaute francaise de Belgique [ARC 14/19-057, ARC 10/15-03, 15/19-09]; French National Research Agency [ANR- 2010-BLANC-0425, ANR-2010-COSI-005-01]; CEA transversal program "Nanoscience" [4.5.3-LARGE-DMQ]; french HPC agency GENCI [x2012096871]; Fonds de la Recherche Scientifique de Belgique (FRS-FNRS); Walloon Region [1117545]; National Science Foundation of China [9133202, 11501544, 11171232]; Funds for Creative Research Groups of China [11321061]; National Basic Research Program of China [2011CB309703]; Natural Sciences and Engineering Research Council of Canada; Fonds de Recherche du Quebec - Nature et Technologies; Regroupement Quebecois sur les Materiaux de Pointe; Photovoltaic Innovation Network; FRS-FNRS [2014/V 6/5/010-IB]; NSERC (Natural Sciences and Engineering Research Council of Canada); European Research Council [ERC-2010-AdG-267374]; Grupos Consolidados [IT578-13]; AFOSR [FA2386-15-1-0006 AOARD 144088]; H2020-NMP-2014 project MOSTOPHOS [GA SEP-210187476]; COST Action [MP1306]; Division de Investigacion, Creacion e Innovacion, UTadeo; [FIS2013-46159-C3-1-P] FX This work has been supported by the FRS-FNRS (Belgium) through FRIA (S.P. and B.V.T.) and FNRS (M.G., Y.G., A.L., and G.-M.R.) fellowships, the PDR research contract AIXPHO T.0238.13 (X.G.), and the FRFC Project No. 2.4.589.09.F (X.G). It has also been supported by the Communaute francaise de Belgique through the BATTAB project (ARC 14/19-057) and the TheMoTherm and AIMED projects (ARC 10/15-03 and 15/19-09), by the French National Research Agency (ANR "DINF-DFT" project, M.T., B.A. and C.M., grant ANR- 2010-BLANC-0425;ANR "NEWCASTLE" project, M.T. and T.R., grant ANR-2010-COSI-005-01) and by the CEA transversal program "Nanoscience", grant 4.5.3-LARGE-DMQ (M.T. and A.L.).; Several of the authors acknowledge the Curie-CCRT french supercomputing center of the CEA. Part of this work was performed using computational resources from the french HPC agency GENCI (T.R., grant x2012096871). Computational resources have been also provided by the supercomputing facilities of the University catholique de Louvain (CISM/UCL) and the Consortium des Equipements de Calcul Intensif en Federation Wallonie Bruxelles (CECI) funded by the Fonds de la Recherche Scientifique de Belgique (FRS-FNRS).; The present research benefited from computational resources made available on the Tier-1 supercomputer of the Federation Wallonie-Bruxelles, infrastructure funded by the Walloon Region under the grant agreement no 1117545.; Several of the authors acknowledge the National Science Foundation of China (A.Z., grant 9133202, L.H., grant 11501544, and F.L., grant 11171232), the Funds for Creative Research Groups of China under grant 11321061 (A.Z.), the National Basic Research Program of China under grant 2011CB309703, and the National Center for Mathematics and Interdisciplinary Sciences of the Chinese Academy of Sciences (A.Z.), and the Program for Innovation Research in Central University of Finance and Economics (F.L.).; J.L.J., B.R., and M.C. acknowledge the Natural Sciences and Engineering Research Council of Canada, the Fonds de Recherche du Quebec - Nature et Technologies, the Regroupement Quebecois sur les Materiaux de Pointe, the Photovoltaic Innovation Network, and the FRS-FNRS (Scientific Stay grant No. 2014/V 6/5/010-IB) for funding.; M. C., A.B. and O.R. acknowledge the support of NSERC (Natural Sciences and Engineering Research Council of Canada).; Y.P. gratefully acknowledges financial support from the European Research Council (ERC-2010-AdG-267374), Spanish Grant FIS2013-46159-C3-1-P, Grupos Consolidados (IT578-13), and AFOSR Grant FA2386-15-1-0006 AOARD 144088, H2020-NMP-2014 project MOSTOPHOS, GA SEP-210187476 and COST Action MP1306 (EUSpec), as well as high-quality technical and human support provided by IZO-SGI SGIker of UPV/EHU and its European funding (ERDF and ESF).; C.E. acknowledges the support of Division de Investigacion, Creacion e Innovacion, UTadeo. We thank Ph. Ghosez, R. Caracas and R. Shaltaf for their contributions to the life of the ABINIT community and dissemination of the ABINIT package, through the organization of workshops or tutorials. NR 152 TC 9 Z9 9 U1 18 U2 36 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD AUG PY 2016 VL 205 BP 106 EP 131 DI 10.1016/j.cpc.2016.04.003 PG 26 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DP4IH UT WOS:000378459100009 ER PT J AU Simon, JI Matzel, JEP Simon, SB Hutcheon, ID Ross, DK Weber, PK Grossman, L AF Simon, Justin I. Matzel, Jennifer E. P. Simon, Steven B. Hutcheon, Ian D. Ross, D. Kent Weber, Peter K. Grossman, Lawrence TI Oxygen isotopic variations in the outer margins and Wark-Lovering rims of refractory inclusions SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article DE Oxygen isotopes; CAIs; Wark-Lovering rims; NanoSIMS; Protoplanetary disk ID AL-RICH INCLUSIONS; EARLY SOLAR-SYSTEM; COARSE-GRAINED CA; CARBONACEOUS CHONDRITES; PROTOPLANETARY DISK; ALLENDE METEORITE; CV3 CHONDRITES; INITIAL AL-26/AL-27; SELF-DIFFUSION; NEBULA GAS AB Oxygen isotopic variations across the outer margins and Wark-Lovering (WL) rims of a diverse suite of six coarse-grained Types A and B refractory inclusions from both oxidized and reduced CV3 chondrites suggest that CAIs originated from a O-16-rich protosolar gas reservoir and were later exposed to both relatively O-17,O-18-rich and O-16-rich reservoirs. The O-isotope profiles of CAIs can be explained by changes in the composition of gas near the protoSun or the migration of CAIs through a heterogeneous nebula. Variability within the inclusion interiors appears to have been set prior to WL rim growth. Modeling the isotopic zoning profiles as diffusion gradients between inclusion interiors and edges establishes a range of permissible time-temperature combinations for their exposure in the nebula. At mean temperatures of 1400 K, models that match the isotope gradients in the inclusions yield timescales ranging from 5 x 10(3) to 3 x 10(5) years. Assuming CAIs originated with a relatively O-16-rich (protosolar) isotopic composition, differences among the melilite interiors and the isotopic gradients in their margins imply the existence of a number of isotopically distinct reservoirs. Evidence at the edges of some CAIs for subsequent isotopic exchange may relate to the beginning of rim formation. In the WL rim layers surrounding the interiors, spinel is relatively O-16-rich but subtly distinct among different CAIs. Melilite is often relatively O-16-poor, but rare relatively O-16-rich grains also exist. Pyroxene generally exhibits intermediate O-isotope compositions and isotopic zoning. Olivine in both WL and accretionary rims, when present, is isotopically heterogeneous. The extreme isotopic heterogeneity among and within individual WL rim layers and in particular, the observed trends of outward O-16-enrichments, suggest that rims surrounding CAIs contained in CV3 chondrites, like the inclusions themselves, formed from a number of isotopically distinct gas reservoirs. Collectively, these results support numerical protoplanetary disk models in which CAIs were transported between several distinct nebular reservoirs multiple times prior to accretion onto a parent body. Published by Elsevier Ltd. C1 [Simon, Justin I.; Ross, D. Kent] NASA, Ctr Isotope Cosmochem & Geochronol, Astromat Res & Explorat Sci Div Explorat Integrat, Johnson Space Ctr, Houston, TX 77058 USA. [Matzel, Jennifer E. P.; Hutcheon, Ian D.; Weber, Peter K.] Lawrence Livermore Natl Lab, Livermore, CA 94451 USA. [Simon, Steven B.; Grossman, Lawrence] Univ Chicago, Dept Geophys Sci, 5734 S Ellis Ave, Chicago, IL 60637 USA. [Ross, D. Kent] Univ Texas El Paso, Jacobs Technol, Houston, TX 77058 USA. [Grossman, Lawrence] Univ Chicago, Enrico Fermi Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. RP Simon, JI (reprint author), NASA, Ctr Isotope Cosmochem & Geochronol, Astromat Res & Explorat Sci Div Explorat Integrat, Johnson Space Ctr, Houston, TX 77058 USA. EM justin.i.simon@nasa.gov FU NASA Cosmochemistry and Origins Programs [NNH11ZDA66N, NNH10AO48I, NNH10AO05I, NNX13AE73G]; U.S. Department of Energy at Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX This work is dedicated to Dr. Ian Douglass Hutcheon (1947-2015), an exceptional scientist, mentor, and friend. He made significant contributions to this work, masterfully integrating intuition, open-mindedness, and skepticism. The remaining authors and many others in our community will sorely miss him. We are grateful to Journal Editor D. Papanastassiou and three anonymous reviewers for their careful and constructive reviews of this paper. The work was supported by NASA Cosmochemistry and Origins Programs: Grants NNH11ZDA66N to JIS, NNH10AO48I and NNH10AO05I to IDH, and NNX13AE73G to LG. Repolishing of several 'well-used' samples by Roger Harrington is gratefully appreciated. This work was performed under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 92 TC 2 Z9 2 U1 5 U2 10 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 AUG 1 PY 2016 VL 186 BP 242 EP 276 DI 10.1016/j.gca.2016.04.025 PG 35 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DP9SF UT WOS:000378836600015 ER PT J AU Fernandez-Delgado, N Herrera, M Chisholm, MF Kamarudin, MA Zhuang, QD Hayne, M Molina, SI AF Fernandez-Delgado, N. Herrera, M. Chisholm, M. F. Kamarudin, M. A. Zhuang, Q. D. Hayne, M. Molina, S. I. TI Atomic-column scanning transmission electron microscopy analysis of misfit dislocations in GaSb/GaAs quantum dots SO JOURNAL OF MATERIALS SCIENCE LA English DT Article ID MOLECULAR-BEAM EPITAXY; STRAIN; INTERFACE; SUPERLATTICES; DISPLACEMENT; LAYERS AB The structural quality of GaSb/GaAs quantum dots (QDs) has been analyzed at atomic scale by aberration-corrected high-angle annular dark-field scanning transmission electron microscopy. In particular, we have studied the misfit dislocations that appear because of the high-lattice mismatch in the heterostructure. Our results have shown the formation of Lomer dislocations not only at the interface between the GaSb QDs and the GaAs substrate, but also at the interface with the GaAs capping layer, which is not a frequent observation. The analysis of these dislocations points to the existence of chains of dislocation loops around the QDs. The dislocation core of the observed defects has been characterized, showing that they are reconstructed Lomer dislocations, which have less distortion at the dislocation core in comparison to unrecon-structed ones. Strain measurements using geometric phase analysis show that these dislocations may not fully relax the strain due to the lattice mismatch in the GaSb QDs. C1 [Fernandez-Delgado, N.; Herrera, M.; Molina, S. I.] Univ Cadiz, Dept Mat Sci Met Engn & Inorgan Chem, IMEYMAT, Cadiz 11510, Spain. [Chisholm, M. F.] Oak Ridge Natl Lab, Scanning Transmiss Electron Microscopy Grp, Oak Ridge, TN USA. [Kamarudin, M. A.; Zhuang, Q. D.; Hayne, M.] Univ Lancaster, Dept Phys, Lancaster LA1 4YB, England. [Kamarudin, M. A.] Univ Putra Malaysia, Fac Sci, Dept Phys, Upm Serdang 43400, Selangor Darul, Malaysia. RP Fernandez-Delgado, N (reprint author), Univ Cadiz, Dept Mat Sci Met Engn & Inorgan Chem, IMEYMAT, Cadiz 11510, Spain. EM nataliaferdel@outlook.es RI Hayne, Manus/E-2320-2011 OI Hayne, Manus/0000-0001-5224-9156 FU Spanish MINECO [TEC2014-53727-C2-2-R]; Spanish MINECO (CONSOLIDER INGENIO) [CSD2009-00013]; Junta de Andalucia (PAI research group) [TEP-946]; European Union H2020 Program (PROMIS ITN European network); U.S. DOE Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX This work was supported by the Spanish MINECO (projects TEC2014-53727-C2-2-R and CONSOLIDER INGENIO 2010 CSD2009-00013), and Junta de Andalucia (PAI research group TEP-946). The research leading to these results has received funding from the European Union H2020 Program (PROMIS ITN European network). STEM observations, carried out at Oak Ridge National Laboratory, were sponsored by the U.S. DOE Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 37 TC 0 Z9 0 U1 5 U2 14 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0022-2461 EI 1573-4803 J9 J MATER SCI JI J. Mater. Sci. PD AUG PY 2016 VL 51 IS 16 BP 7691 EP 7698 DI 10.1007/s10853-016-0051-0 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA DP5MS UT WOS:000378542300028 ER PT J AU Huang, K Chai, SH Mayes, RT Tan, S Jones, CW Dai, S AF Huang, Kuan Chai, Song-Hai Mayes, Richard T. Tan, Shuai Jones, Christopher W. Dai, Sheng TI Significantly increasing porosity of mesoporous carbon by NaNH2 activation for enhanced CO2 adsorption SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE Mesoporous carbon; Activation; Sodium amide; Microporosity; CO2 adsorption ID DIOXIDE CAPTURE; ENERGY-STORAGE; POROUS CARBONS; TEMPERATURE; MICROPOROSITY; PERFORMANCE; NETWORKS; AEROGELS; SIZE; COAL AB Sodium amide (NaNH2), a readily available strong base, was investigated as an efficient reagent for chemical activation of mesoporous carbon (MC) in the temperature range of 400-900 degrees C, aiming to enhance the CO2 adsorption performance. Total surface area and pore volume of the activated MC increase greatly with the activation temperature up to 700 degrees C and then tend to level off. Small micropores with a diameter <1 nm are developed mainly at low temperatures (400-550 degrees C) and decrease continuously in volume as the activation temperature increases. Nitrogen species are incorporated onto the carbon activated at 400 degrees C but completely disappear at higher activation temperatures due to poor thermal stability. CO2 adsorption experiments illustrated a substantial improvement in capacities at 0 degrees C for the NaNH2-activated carbons (6.31 mmol/g at 1 bar and 2.06 mmol/g at 0.15 bar) in comparison to pristine MC (2.01 mmol/g at 1 bar and 1.00 mmol/g at 0.15 bar). The low-pressure CO2 capacities are well correlated with the volume of small micropores rather than the total micropore volume and surface area. The activation ability of NaNH2 was compared with those of KOH and NaOH, verifying the superiority of NaNH2 in the MC activation under relatively moderate conditions, i.e., activation reagent/MC weight ratio of two and activation temperature of 550 degrees C. (C) 2016 Elsevier Inc. All rights reserved. C1 [Huang, Kuan; Chai, Song-Hai; Dai, Sheng] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Mayes, Richard T.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Tan, Shuai; Jones, Christopher W.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Chai, SH (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM schai@utk.edu; dais@ornl.org RI Dai, Sheng/K-8411-2015; Huang, Kuan/F-7003-2015 OI Dai, Sheng/0000-0002-8046-3931; Huang, Kuan/0000-0003-1905-3017 FU Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, at Oak Ridge National Laboratory; Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, at Georgia Tech [DE-SC0012577] FX This work was supported as part of the Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, at Oak Ridge National Laboratory and at Georgia Tech under DE-SC0012577. We thank Miles A. Salcwa-Novak for his help in sample characterizations and valuable discussion. NR 39 TC 1 Z9 1 U1 6 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 EI 1873-3093 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD AUG PY 2016 VL 230 BP 100 EP 108 DI 10.1016/j.micromeso.2016.04.041 PG 9 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DP7ED UT WOS:000378661100012 ER PT J AU Pierce, DT Coughlin, DR Williamson, DL Kahkonen, J Clarke, AJ Clarke, KD Speer, JG De Moor, E AF Pierce, D. T. Coughlin, D. R. Williamson, D. L. Kaehkoenen, J. Clarke, A. J. Clarke, K. D. Speer, J. G. De Moor, E. TI Quantitative investigation into the influence of temperature on carbide and austenite evolution during partitioning of a quenched and partitioned steel SO SCRIPTA MATERIALIA LA English DT Article DE Quenching and partitioning; Transition carbides; Mossbauer spectroscopy; Retained austenite; Cementite ID IRON-CARBON MARTENSITE; MOSSBAUER-SPECTROSCOPY; HEAT-TREATMENT; P PROCESS; ELECTRON-MICROSCOPY; INTERFACE MOBILITY; BAINITE; TRANSFORMATION; CEMENTITE; MN AB The influence of partitioning temperature on microstructural evolution during quenching and partitioning was investigated in a 0.38C-1.54Mn-1.485i wt.% steel using Mossbauer spectroscopy and transmission electron microscopy. eta-carbide formation occurs in the martensite during the quenching, holding, and partitioning steps. More effective carbon partitioning from martensite to austenite was observed at 450 than 400 degrees C, resulting in lower martensite carbon contents, less carbide formation, and greater retained austenite amounts for short partitioning times. Conversely, greater austenite decomposition occurs at 450 degrees C for longer partitioning times. Cementite forms during austenite decomposition and in the martensite for longer partitioning times at 450 degrees C (C) 2016 Elsevier B.V. All rights reserved. C1 [Pierce, D. T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Coughlin, D. R.; Clarke, A. J.; Clarke, K. D.] Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87545 USA. [Williamson, D. L.] Colorado Sch Mines, Dept Phys, 1500 Illinois St, Golden, CO 80401 USA. [Kaehkoenen, J.; Speer, J. G.; De Moor, E.] Colorado Sch Mines, Adv Steel Proc & Prod Res Ctr, 1500 Illinois St, Golden, CO 80401 USA. RP Pierce, DT (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA.; De Moor, E (reprint author), Colorado Sch Mines, Adv Steel Proc & Prod Res Ctr, 1500 Illinois St, Golden, CO 80401 USA. EM piercedt@ornl.gov; edemoor@mines.edu RI Clarke, Kester/R-9976-2016 FU U.S. Department of Energy Advance Manufacturing Office [DE-EE0005765]; Advanced Steel Processing and Products Research Center (ASPPRC), an industry/university cooperative research center; Los Alamos National Laboratory for the U.S. Department of Energy [DE-AC52-06NA25396] FX This work was supported by the U.S. Department of Energy Advance Manufacturing Office under Award Number DE-EE0005765. DTP, JGS, and EDM gratefully acknowledge the support from the sponsors of the Advanced Steel Processing and Products Research Center (ASPPRC), an industry/university cooperative research center. DRC, KDC, and AJC gratefully acknowledge support from Los Alamos National Laboratory, operated by Los Alamos National Security, LLC under Contract No. DE-AC52-06NA25396 for the U.S. Department of Energy. NR 40 TC 0 Z9 0 U1 11 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2016 VL 121 BP 5 EP 9 DI 10.1016/j.scriptamat.2016.04.027 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA DP7EB UT WOS:000378660900002 ER PT J AU Meher, S Viswanathan, GB Nag, S Fraser, HL Banerjee, R AF Meher, S. Viswanathan, G. B. Nag, S. Fraser, H. L. Banerjee, R. TI Determination of the gamma prime/gamma interface width in a Co-Al-W alloy via coupled aberration-corrected scanning transmission electron microscopy and atom probe tomography SO SCRIPTA MATERIALIA LA English DT Article DE Interfaces; HAADF-STEM; Atom probe tomography; Superalloy ID COBALT-BASE ALLOYS; PHASE; MICROSTRUCTURE; SYSTEM; SUPERALLOYS; ENERGY; SCALE; CR AB The compositional and order-disorder transition widths of gamma'/gamma interfaces in a Co-Al-W alloy have been established for the first time by coupling of aberration corrected high resolution scanning transmission electron microscopy and orientation-specific atom probe tomography. While the compositional width is approximately 2.5 nm, the order-disorder transition width is very sharp measuring 0.5 nm. A comparative study revealed that the gamma'/gamma interfaces, in a model Ni-Al-Cr alloy, are both compositionally and structurally diffuse with nearly the same width (-2.5-3 nm). These differences between the gamma'/gamma interfaces in Co and Ni-base alloys can impact the coarsening behavior of the ordered precipitates. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Meher, S.; Nag, S.; Banerjee, R.] Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA. [Viswanathan, G. B.; Fraser, H. L.] Ohio State Univ, Dept Mat Sci & Engn, Ctr Accelerated Maturat Mat, 116 W 19Th Ave, Columbus, OH 43210 USA. [Meher, S.] Idaho Natl Lab, Dept Mat Sci & Engn, Idaho Falls, ID 83415 USA. [Nag, S.] GE Global Res Ctr, CMT Struct & Funct Met Lab, Niskayuna, NY USA. RP Banerjee, R (reprint author), Univ N Texas, Dept Mat Sci & Engn, Denton, TX 76203 USA. EM rajarshi.banerjee@unt.edu RI Meher, Subhashish/B-9701-2017 OI Meher, Subhashish/0000-0003-1599-4346 FU U.S. Air Force Research Laboratory (AFRL) [FA8650-08-C-5226] FX The authors would like to acknowledge the U.S. Air Force Research Laboratory (AFRL contract FA8650-08-C-5226) for providing financial support for the study. In addition, the authors also gratefully acknowledge the Center for Advanced Research and Technology (CART) at University of North Texas and the Center for Electron Microscopy and Spectroscopy (CEMAS) at the Ohio State University for providing access to the experimental facilities used for the study. NR 25 TC 1 Z9 1 U1 12 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2016 VL 121 BP 23 EP 27 DI 10.1016/j.scriptamat.2016.04.037 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA DP7EB UT WOS:000378660900006 ER PT J AU Gan, J Keiser, DD Miller, BD Eriksson, N Sohn, YH Kirk, M AF Gan, J. Keiser, D. D., Jr. Miller, B. D. Eriksson, N. Sohn, Y. H. Kirk, M. TI Irradiation induced structural change in Mo2Zr intermetallic phase SO SCRIPTA MATERIALIA LA English DT Article ID ZR DIFFUSION BARRIER; ION IRRADIATION; MO; MOLYBDENUM; SYSTEMS; MATRIX; ALLOY; FUEL AB The Mo2Zr phase has been identified as a major interaction product at the interface of U-10Mo and Zr. Transmission electron microscopy in-situ irradiation with Kr ions at 200 degrees C with doses up to 2.0E+16 ions/cm(2) was carried out to investigate the radiation stability of the Mo2Zr. The Mo2Zr undergoes a radiation-induced structural change, from a large cubic (cF24) to a small cubic (cl2), along with an estimated 112% volume contraction without changing its composition. The structural change begins at irradiation dose below 1.0E+ 14 ions/cm(2). The transformed Mo2Zr phase demonstrates exceptional radiation tolerance with the development of dislocations without bubble formation. (C) 2016 Elsevier B.V. All rights reserved. C1 [Gan, J.; Keiser, D. D., Jr.; Miller, B. D.] Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. [Eriksson, N.; Sohn, Y. H.] Univ Cent Florida, Orlando, FL 32816 USA. [Kirk, M.] Argonne Natl Lab, 9700 South Cass Ave, Argonne, IL 60439 USA. RP Gan, J (reprint author), POB 1625,MS 6188, Idaho Falls, ID 83415 USA. EM Jian.Gan@inl.gov RI Sohn, Yongho/A-8517-2010 OI Sohn, Yongho/0000-0003-3723-4743 FU U.S. Department of Energy, Office of Material Management and Minimization [NA-23]; National Nuclear Security Administration, under DOE-NE Idaho Operations Office [DE-AC07-05ID14517]; [DE-AC02-06CH11357] FX Acknowledgment is given to Glenn Moore at Idaho National Laboratory (INL) for alloy fabrication and to Pete M. Baldo and Edward A. Ryan at Argonne National Laboratory (ANL) for Kr ion irradiation. The in-situ ion irradiation and electron microscopy was accomplished at the Electron Microscopy Center for Materials Research at ANL, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by U. Chicago Argonne, LLC. This work was supported by the U.S. Department of Energy, Office of Material Management and Minimization (NA-23), National Nuclear Security Administration, under DOE-NE 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 NR 16 TC 0 Z9 0 U1 5 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2016 VL 121 BP 56 EP 60 DI 10.1016/j.scriptamat.2016.04.041 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA DP7EB UT WOS:000378660900013 ER PT J AU Knezevic, M Daymond, MR Beyerlein, IJ AF Knezevic, Marko Daymond, Mark R. Beyerlein, Irene J. TI Modeling discrete twin lamellae in a microstructural framework SO SCRIPTA MATERIALIA LA English DT Article DE Texture; Mesostructure; Twinning; Dislocations; Crystal plasticity ID FINITE-ELEMENT MODEL; CRYSTALLOGRAPHIC TEXTURE EVOLUTION; 3-D STRESS DEVELOPMENT; STRAIN-PATH CHANGES; ALPHA-URANIUM; POLYCRYSTAL PLASTICITY; HCP METALS; DEFORMATION MECHANISMS; ZIRCONIUM ALLOYS; AZ31 ALLOY AB The impact of deformation twins on the mechanical response of metals derives from the fact that they are micro structural inhomogeneities that create lattice reorientation and introduce local stress fields. Efforts have begun towards microstructural modeling of discrete twin domains within individual grains and the stress and strain fields that result from them. The aim of this viewpoint article is to review these endeavors, highlighting the in-sights gained by these studies, the advantages and disadvantages of the seemingly diverse approaches taken to date, and on this basis, offer our perspective on promising future steps. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Knezevic, Marko] Univ New Hampshire, Dept Mech Engn, Durham, NH 03824 USA. [Daymond, Mark R.] Queens Univ, Dept Mech & Mat Engn, Kingston, ON K7L 3N6, Canada. [Beyerlein, Irene J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Knezevic, M (reprint author), Univ New Hampshire, Dept Mech Engn, Durham, NH 03824 USA. EM marko.knezevic@unh.edu OI Daymond, Mark/0000-0001-6242-7489 FU National Science Foundation [CMMI-1541918]; Los Alamos National Laboratory Directed Research and Development ER Grant [20140348ER] FX This work is based upon project supported by the National Science Foundation under grant no. CMMI-1541918. IJB is grateful for the support from Los Alamos National Laboratory Directed Research and Development ER Grant 20140348ER. NR 61 TC 1 Z9 1 U1 5 U2 10 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD AUG PY 2016 VL 121 BP 84 EP 88 DI 10.1016/j.scriptamat.2016.04.026 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA DP7EB UT WOS:000378660900019 ER PT J AU Rai, DK Segundo, FDS Schafer, E Burrage, TG Rodriguez, LL de los Santos, T Hoeprich, PD Rieder, E AF Rai, Devendra K. Segundo, Fayna Diaz-San Schafer, Elizabeth Burrage, Thomas G. Rodriguez, Luis L. de los Santos, Teresa Hoeprich, Paul D. Rieder, Elizabeth TI Novel 6xHis tagged foot-and-mouth disease virus vaccine bound to nanolipoprotein adjuvant via metal ions provides antigenic distinction and effective protective immunity SO VIROLOGY LA English DT Article DE FMDV; 6xHis Tag; FMD vaccine; Nanolipoprotein adjuvants ID VP1/2A JUNCTION; PARTICLES; PROTEIN; FMDV; ANTIBODIES; CATTLE; PURIFICATION; PATHOGENESIS; ERADICATION; DELIVERY AB Here, we engineered two FMD viruses with histidine residues inserted into or fused to the FMDV capsid. Both 6xHis viruses exhibited growth kinetics, plaque morphologies and antigenic characteristics similar to wild-type virus. The 6xHis tag allowed one-step purification of the mutant virions by Co2+ affinity columns. Electron microscopy and biochemical assays showed that the 6xHis FMDV5 readily assembled into antigen: adjuvant complexes in solution, by conjugating with Ni2+-chelated nanolipoprotein and monophosphoryl lipid A adjuvant (MPLA:NiNLP). Animals Immunized with the inactivated 6xHis-FMDV: MPLA:NiNLP vaccine acquired enhanced protective immunity against FMDV challenge compared to virions alone. Induction of anti-6xHis and anti-FMDV neutralizing antibodies in the immunized animals could be exploited in the differentiation of vaccinated from infected animals needed for the improvement of FMD control measures. The novel marker vaccine/nanolipid technology described here has broad applications for the development of distinctive and effective immune responses to other pathogens of importance. Published by Elsevier Inc. C1 [Rai, Devendra K.; Segundo, Fayna Diaz-San; Schafer, Elizabeth; Rodriguez, Luis L.; de los Santos, Teresa; Rieder, Elizabeth] ARS, Foreign Anim Dis Res Unit, USDA, Plum Isl Anim Dis Ctr, POB 848, Greenport, NY 11944 USA. [Rai, Devendra K.; Segundo, Fayna Diaz-San] Univ Connecticut, CANR, Dept Pathobiol & Vet Sci, Storrs, CT 06269 USA. [Burrage, Thomas G.] ARS, Dept Homeland Secur, S&T Targeted Adv Dev Virus Cellular & Mol Imaging, Plum Isl Anim Dis Ctr, Greenport, NY 11944 USA. [Hoeprich, Paul D.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. RP Rieder, E (reprint author), ARS, Plum Isl Anim Dis Ctr, USDA, NAA, POB 848, Greenport, NY 11944 USA. EM Elizabeth.Rieder@ars.usda.gov FU CRIS, Agricultural Research Service (ARS), U.S. Department of Agriculture [1940-32000-057-00D] FX Funding for the research detailed in this manuscript was provided through Congressionally allocated dollars for the Agricultural Research Service of the United States Department of Agriculture. Specifically, CRIS projects no. 1940-32000-057-00D, Agricultural Research Service (ARS), U.S. Department of Agriculture (Dr. Elizabeth Rieder). NR 35 TC 0 Z9 0 U1 5 U2 7 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0042-6822 J9 VIROLOGY JI Virology PD AUG PY 2016 VL 495 BP 136 EP 147 DI 10.1016/j.virol.2016.04.027 PG 12 WC Virology SC Virology GA DP7DR UT WOS:000378659900015 PM 27209448 ER PT J AU Karapiperis, K Sett, K Kavvas, ML Jeremic, B AF Karapiperis, Konstantinos Sett, Kallol Kavvas, M. Levent Jeremic, Boris TI Fokker-Planck linearization for non-Gaussian stochastic elastoplastic finite elements SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Fokker-Planck equation; Elastoplasticity; Stochastic finite elements; Linearization; Polynomial chaos; Non-Gaussian ID PARTIAL-DIFFERENTIAL-EQUATIONS; KARHUNEN-LOEVE EXPANSION; POLYNOMIAL CHAOS; GALERKIN SCHEME; SIMULATION; UNCERTAINTIES; SYSTEMS; FIELDS AB Presented here is a finite element framework for the solution of stochastic elastoplastic boundary value problems with non-Gaussian parametric uncertainty. The framework relies upon a stochastic Galerkin formulation, where the stiffness random field is decomposed using a multidimensional polynomial chaos expansion. At the constitutive level, a Fokker-Planck-Kolmogorov (FPK) plasticity framework is utilized, under the assumption of small strain kinematics. A linearization procedure is developed that serves to update the polynomial chaos coefficients of the expanded random stiffness in the elastoplastic regime, leading to a nonlinear least-squares optimization problem. The proposed framework is illustrated in a static shear beam example of elastic-perfectly plastic as well as isotropic hardening material. (C) 2016 Elsevier B.V. All rights reserved. C1 [Karapiperis, Konstantinos; Kavvas, M. Levent; Jeremic, Boris] Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. [Sett, Kallol] SUNY Buffalo, Dept Civil Struct & Environm Engn, Buffalo, NY 14260 USA. [Jeremic, Boris] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Karapiperis, K (reprint author), Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. EM kkarapiperis@ucdavis.edu OI Karapiperis, Konstantinos/0000-0002-6796-8900 FU National Science Foundation [1200702]; Department of Civil and Environmental Engineering of the University of California, Davis FX This work has been partly supported by the National Science Foundation under Award No. 1200702 as well as the Department of Civil and Environmental Engineering of the University of California, Davis. We are grateful to the anonymous reviewers for their constructive comments. NR 46 TC 0 Z9 0 U1 4 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PD AUG 1 PY 2016 VL 307 BP 451 EP 469 DI 10.1016/j.cma.2016.05.001 PG 19 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA DO8TE UT WOS:000378055900020 ER PT J AU Zhang, DZ Jackson, JM Zhao, JY Sturhahn, W Alp, EE Hu, MY Toellner, TS Murphy, CA Prakapenka, VB AF Zhang, Dongzhou Jackson, Jennifer M. Zhao, Jiyong Sturhahn, Wolfgang Alp, E. Ercan Hu, Michael Y. Toellner, Thomas S. Murphy, Caitlin A. Prakapenka, Vitali B. TI Temperature of Earth's core constrained from melting of Fe and Fe0.9Ni0.1 at high pressures SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE Fe; Fe-Ni; melting; core; high pressure ID X-RAY-DIFFRACTION; NUCLEAR RESONANT SCATTERING; LOW VELOCITY ZONE; MANTLE BOUNDARY; DIAMOND-CELL; INNER-CORE; PHASE-TRANSITIONS; LOWERMOST MANTLE; HEAT-FLOW; IRON AB The melting points of fcc- and hcp-structured Fe0.9Ni0.1 and Fe are measured up to 125 GPa using laser heated diamond anvil cells, synchrotron Mossbauer spectroscopy, and a recently developed fast temperature readout spectrometer. The onset of melting is detected by a characteristic drop in the time integrated synchrotron Mfissbauer signal which is sensitive to atomic motion. The thermal pressure experienced by the samples is constrained by X-ray diffraction measurements under high pressures and temperatures. The obtained best-fit melting curves of fcc-structured Fe and Fe0.9Ni0.1 fall within the wide region bounded by previous studies. We are able to derive the gamma-is an element of-1 triple point of Fe and the quasi triple point of Fe0.9Ni0.1 to be 110 +/- 5 GPa, 3345 +/- 120 K and 116 +/- 5 GPa, 3260 +/- 120 K, respectively. The measured melting temperatures of Fe at similar pressure are slightly higher than those of Fe0.9Ni0.1 while their one sigma uncertainties overlap. Using previously measured phonon density of states of hcp-Fe, we calculate melting curves of hcp-structured Fe and Fe0.9Ni0.1 using our (quasi) triple points as anchors. The extrapolated Fe0.9Ni0.1 melting curve provides an estimate for the upper bound of Earth's inner core-outer core boundary temperature of 5500 +/- 200 K. The temperature within the liquid outer core is then approximated with an adiabatic model, which constrains the upper bound of the temperature at the core side of the core -mantle boundary to be 4000 +/- 200 K. We discuss a potential melting point depression caused by light elements and the implications of the presented core -mantle boundary temperature bounds on phase relations in the lowermost part of the mantle. (C) 2016 Elsevier B.V. All rights reserved. C1 [Zhang, Dongzhou; Jackson, Jennifer M.; Sturhahn, Wolfgang] CALTECH, Seismol Lab, 1200 E Calif Blvd,MS 252-21, Pasadena, CA 91125 USA. [Zhang, Dongzhou; Zhao, Jiyong; Alp, E. Ercan; Hu, Michael Y.; Toellner, Thomas S.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. [Zhang, Dongzhou] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Murphy, Caitlin A.] US DOE, 1000 Independence Ave SW, Washington, DC 20585 USA. [Prakapenka, Vitali B.] Univ Chicago, GSECARS, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Zhang, DZ (reprint author), Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. EM dzhang@hawaii.edu RI Zhang, Dongzhou/D-9604-2017 OI Zhang, Dongzhou/0000-0002-6679-892X FU NSF [EAR-1316362]; National Science Foundation - Earth Sciences [EAR-1128799]; Department of Energy-GeoSciences [DE-FG02-94ER14466]; U.S. D.O.E., O.S., O.B.E.S. [DE-AC02-06CH11357]; COMPRES under NSF Cooperative Agreement [EAR 06-49658]; MRSEC Program of the NSF [DMR-0080065] FX We thank G. Shen, M. Rivers, Y. Meng, W. Bi, A. Alatas, B. Chen and C. Ma for useful discussions and help in conducting experiments. We thank NSF (EAR-1316362) for financial support of this research as well as GeoSoilEnviroCARS and HP-CAT for allowing access to their laser drilling and the ruby fluorescence systems. Use of 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 is supported by the U.S. D.O.E., O.S., O.B.E.S. (DE-AC02-06CH11357). Sector 3 operations are supported in part by COMPRES under NSF Cooperative Agreement EAR 06-49658. Microprobe analyses were carried out at the Caltech GPS Division Analytical Facility (funded in part by the MRSEC Program of the NSF under DMR-0080065). We would like to thank Dr. Oliver Lord and two anonymous reviewers for constructive comments, and Dr. John Brodholt for handling the manuscript. NR 89 TC 1 Z9 1 U1 9 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X EI 1385-013X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD AUG 1 PY 2016 VL 447 BP 72 EP 83 DI 10.1016/j.epsl.2016.04.026 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA DP4AS UT WOS:000378438400007 ER PT J AU Solberg, JM Hossain, Q Mseis, G AF Solberg, Jerome M. Hossain, Quazi Mseis, George TI Nonlinear time-domain soil-structure interaction analysis of embedded reactor structures subjected to earthquake loads SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID BEHAVIOR AB A generalized time-domain method for soil-structure interaction analysis is developed, based upon an extension of the work of the domain reduction method of Bielak et al. The methodology is combined with the use of a simple hysteretic soil model based upon the Ramberg-Osgood formulation and applied to a notional Small Modular Reactor. These benchmark results compare well (with some caveats) with those obtained by using the industry-standard frequency-domain code SASSI. The methodology provides a path forward for investigation of other sources of nonlinearity, including those associated with the use of more physically-realistic material models incorporating pore-pressure effects, gap opening/closing, the effect of nonlinear structural elements, and 3D seismic inputs. (C) 2016 Elsevier B.V. All rights reserved. C1 [Solberg, Jerome M.] Lawrence Livermore Natl Lab, Methods Dev Grp, POB 808,Mailstop L-125, Livermore, CA 94550 USA. [Hossain, Quazi; Mseis, George] Lawrence Livermore Natl Lab, Struct & Appl Mech Grp, POB 808,Mailstop L-129, Livermore, CA 94550 USA. [Mseis, George] Total New Energies USA, EmeryStn 1,5858 Horton St,Suite 253, Emeryville, CA 94608 USA. RP Solberg, JM (reprint author), Lawrence Livermore Natl Lab, Methods Dev Grp, POB 808,Mailstop L-125, Livermore, CA 94550 USA. EM solberg2@llnl.gov; hossain1@llnl.gov; george.mseis@gmail.com FU NEAMS program, DOE Office of Nuclear Energy [NE-41]; U.S. Department of Energy [DE-AC52-07NA27344] FX This work was supported by the NEAMS program, DOE Office of Nuclear Energy (NE-41). Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the benefit of the U.S. Department of Energy, National Nuclear Security Administration, Contract DE-AC52-07NA27344. The authors would like to thank Prof. Boris Jeremic (U.C. Davis) for initially pointing us towards Prof. Bielak's work, Professor Carl Costantino for the CARES runs, and Dr.'s Joseph Braverman and Jinsuo Nie for performing SASSI runs on the notional SMR. The authors would also like to thank Dr. Mike Gerhard (Lawrence Livermore National Laboratory) for helping us with formatting various plots. NR 20 TC 0 Z9 0 U1 2 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 EI 1872-759X J9 NUCL ENG DES JI Nucl. Eng. Des. PD AUG 1 PY 2016 VL 304 BP 100 EP 124 DI 10.1016/j.nucengdes.2016.04.026 PG 25 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DP1AB UT WOS:000378221400011 ER PT J AU Ahmed, S Nelson, PA Gallagher, KG Dees, DW AF Ahmed, Shabbir Nelson, Paul A. Gallagher, Kevin G. Dees, Dennis W. TI Energy impact of cathode drying and solvent recovery during lithium-ion battery manufacturing SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium-ion battery; Manufacturing; Cathode solvent; Energy need; n-methyl pyrrolidone ID ELECTROCHEMICAL PERFORMANCE AB Successful deployment of electric vehicles requires maturity of the manufacturing process to reduce the cost of the lithium ion battery (LIB) pack. Drying the coated cathode layer and subsequent recovery of the. solvent for recycle is a vital step in the lithium ion battery manufacturing plant and offers significant potential for cost reduction. A spreadsheet model of the drying and recovery of the solvent, is used to study the energy demand of this step and its contribution towards the cost of the battery pack. The base case scenario indicates that the drying and recovery process imposes an energy demand of similar to 10 kWh per kg of the solvent n-methyl pyrrolidone (NMP), and is almost 45 times the heat needed to vaporize the NMP. For a plant producing 100 K battery packs per year for 10 kWh plug-in hybrid vehicles (PHEV), the energy demand is similar to 5900 kW and the process contributes $107 or 3.4% to the cost of the battery pack. The cost of drying and recovery is equivalent to $1.12 per kg of NMP recovered, saving $2.08 per kg in replacement purchase. (C) 2016 Elsevier B.V. All rights reserved. C1 [Ahmed, Shabbir; Nelson, Paul A.; Gallagher, Kevin G.; Dees, Dennis W.] Argonne Natl Lab, Chem Sci & Engn Div, Bldg 200,9700 S Cass Ave, Argonne, IL 60439 USA. RP Ahmed, S (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Bldg 200,9700 S Cass Ave, Argonne, IL 60439 USA. EM ahmeds@anl.gov; nelsonp@anl.gov; kevin.gallagher@anl.gov; dees@anl.gov FU U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy FX The authors wish to acknowledge Jeff Quass and David Ventola from B&W MEGTEC, and Naresh Susarla and Gary Henriksen for their help in preparing this manuscript. Support from David Howell and Peter Faguy at the Vehicle Technologies Office, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy, is gratefully acknowledged. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under contract no. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 24 TC 1 Z9 1 U1 10 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD AUG 1 PY 2016 VL 322 BP 169 EP 178 DI 10.1016/j.jpowsour.2016.04.102 PG 10 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA DO4FO UT WOS:000377737400020 ER PT J AU Tatsiankou, V Hinzer, K Haysom, J Schriemer, H Emery, K Beal, R AF Tatsiankou, V. Hinzer, K. Haysom, J. Schriemer, H. Emery, K. Beal, R. TI Design principles and field performance of a solar spectral irradiance meter SO SOLAR ENERGY LA English DT Article DE Solar spectral irradiance meter; SSIM; Direct normal spectral irradiance; Solar resource assessment; Atmospheric parameterization; Solar spectrum ID OPTICAL DEPTH; MODEL; PARAMETERS; AERONET; ENERGY; SYSTEM; IMPACT; MODULE AB A solar spectral irradiance meter (SSIM), designed for measuring the direct normal irradiance (DNI) in six wavelength bands, has been combined with models to determine key atmospheric transmittances and the resulting spectral irradiance distribution of DNI under all sky conditions. The design principles of the SSIM, implementation of a parameterized transmittance model, and field performance comparisons of modeled solar spectra with reference radiometer measurements are presented. Two SSIMs were tested and calibrated at the National Renewable Energy Laboratory (NREL) against four spectroradiometers and an absolute cavity radiometer. The SSIMs' DNI was on average within 1% of the DNI values reported by one of NREL's primary absolute cavity radiometers. An additional SSIM was installed at the SUNLAB Outdoor Test Facility in September 2014, with ongoing collection of environmental and spectral data. The SSIM's performance in Ottawa was compared against a commercial pyrheliometer and a spectroradiometer over an eight month study. The difference in integrated daily spectral irradiance between the SSIM and the ASD spectroradiometer was found to be less than 1%. The cumulative energy density collected by the SSIM over this duration agreed with that measured by an Eppley model NIP pyrheliometer to within 0.5%. No degradation was observed. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Tatsiankou, V.; Hinzer, K.; Haysom, J.; Schriemer, H.] Univ Ottawa, SUNLAB, Ottawa, ON K1N 6N5, Canada. [Emery, K.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Beal, R.] COFOVO Energy Inc, Ottawa, ON K1N 6N5, Canada. RP Tatsiankou, V (reprint author), Univ Ottawa, SUNLAB, Ottawa, ON K1N 6N5, Canada. EM viktar.tatsiankou@gmail.com FU National Sciences and Engineering Research Council of Canada; Ontario Research Fund - Research Excellence program; Ontario Centres of Excellence; Canada Research Chair program; Canadian Foundation for Innovation; U.S. Department of Energy [DE- AC36-08-GO28308]; National Renewable Energy Laboratory FX The authors would like to acknowledge support from the National Sciences and Engineering Research Council of Canada, the Ontario Research Fund - Research Excellence program, the Ontario Centres of Excellence, Canada Research Chair program, and the Canadian Foundation for Innovation.; The NREL portion of this work was supported by the U.S. Department of Energy under Contract No. DE- AC36-08-GO28308 with the National Renewable Energy Laboratory. NR 34 TC 2 Z9 2 U1 2 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD AUG PY 2016 VL 133 BP 94 EP 102 DI 10.1016/j.solener.2016.03.054 PG 9 WC Energy & Fuels SC Energy & Fuels GA DO4DZ UT WOS:000377733300009 ER PT J AU Habte, A Sengupta, M Andreas, A Wilcox, S Stoffel, T AF Habte, Aron Sengupta, Manajit Andreas, Afshin Wilcox, Stephen Stoffel, Thomas TI Intercomparison of 51 radiometers for determining global horizontal irradiance and direct normal irradiance measurements SO SOLAR ENERGY LA English DT Article DE Global horizontal irradiance, GHI; Direct normal irradiance, DNI; Diffuse horizontal irradiance, DHI; Pyranometer; Pyrheliometer; Rotating shadowband radiometer, RSR AB Accurate solar radiation measurements require properly installed and maintained radiometers with calibrations traceable to the World Radiometric Reference (WRR). This study analyzes the performance of 51 commercially available and prototype radiometers used for measuring global horizontal irradiances (GHI) or direct normal irradiances (DNI). These include pyranometers, pyrheliometers, rotating shadowband radiometers (RSR),(1) and a pyranometer with an internal shading mask deployed at the National Renewable Energy Laboratory's (NREL) Solar Radiation Research Laboratory (SRRL). The radiometers in this study were deployed for one year (from April 1, 2011, through March 31, 2012) and their measurements were compared under clear sky, partly cloudy, and mostly cloudy conditions to reference values of low estimated measurement uncertainties. Mean Bias Difference (MBD) and Root Mean Square Difference (RMSD) statistics were used as metrics to compare the GHI and DNI values from individual instruments with concurrent measurements using the reference instruments over time intervals of one-minute, 10-min, and hourly averages. Deviations from the reference irradiance measurements were calculated as a percent and W/m(2) of the reference value for solar zenith angles ranging from 17.5 degrees to 85 degrees (the range of available solar zenith angles throughout the year at SRRL, excluding data near sunrise and sunset). Under clear-sky conditions when the solar zenith angle was less than 60 degrees, differences of less than +/- 5% were observed among all GHI and DNI measurements when compared to the reference radiometers. For GHI these normalized differences increased up to +/- 17% under mostly-cloudy and clear-sky conditions when the solar zenith angle was greater than 60 degrees. The normalized differences were greater yet under mostly cloudy conditions (approaching +/- 40%) for few DNI data sets at higher solar zenith angles. The intent of this paper is to present a general overview of each radiometer's performance based on the instrumentation and environmental conditions available at NREL. Published by Elsevier Ltd. C1 [Habte, Aron; Sengupta, Manajit; Andreas, Afshin] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. [Wilcox, Stephen; Stoffel, Thomas] Solar Resource Solut LLC, 249 Harper St, Louisville, CO 80027 USA. RP Habte, A (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM aron.habte@nrel.gov FU U.S. Department of Energy [DE-AC36-08GO28308]; National Renewable Energy Laboratory FX The authors would like to thank Daryl Myers, retired NREL employee, for his insightful suggestions and reviewing this work. We are grateful to NREL-SRRL employees in maintaining the continuously-operating outdoor solar irradiance and surface meteorological instrumentation. This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08GO28308 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 24 TC 0 Z9 0 U1 3 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-092X J9 SOL ENERGY JI Sol. Energy PD AUG PY 2016 VL 133 BP 372 EP 393 DI 10.1016/j.solener.2016.03.065 PG 22 WC Energy & Fuels SC Energy & Fuels GA DO4DZ UT WOS:000377733300032 ER PT J AU Gomez-Vidal, JC Morton, E AF Gomez-Vidal, J. C. Morton, E. TI Castable cements to prevent corrosion of metals in molten salts SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Concentrating solar power; Heat transfer fluid; Thermal energy storage; Molten salts; Ceramics; Corrosion ID RESISTANCE; COATINGS; ALLOY; LI; INTERMETALLICS; BEHAVIOR AB Castable cements on metals form a protective barrier that is able to prevent permeation of molten salts towards metallic surfaces. Silica-based castable cements are capable of protecting containment metallic alloys from the corrosive attack of molten chlorides at temperatures as high as 650 degrees C. Boron nitride (BN) blocking the pores in the cured cement prevents permeation of the molten chloride towards the metal surface. The cements tested are not chemically stable in molten carbonates, because the bonding components dissolved into molten carbonates salt. The corrosion rate is 7.72 +/- 0.32 mm/year for bare stainless steel 347 in molten eutectic NaCl - 65.58 wt% LiCl at 650 degrees C, which is the baseline used for determining how well the cement protects the metallic surfaces from corrosion. In particular the metal fully encapsulated with Aremco 645-N with pores filled with boron nitride immersed in molten eutectic NaCl - 65.58 wt% LiCl at 650 degrees C shows a corrosion rate of 9E-04 mm/year. The present study gives initial corrosion rates. Long-term tests are required to determine if Aremco 645-N with BN coating on metal has long term chemical stability for blocking salt permeation through coating pores. (C) 2016 Elsevier B.V. All rights reserved. C1 [Gomez-Vidal, J. C.; Morton, E.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Gomez-Vidal, JC (reprint author), Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM judith.vidal@nrel.gov FU U.S. Department of Energy [DE-AC36-08-GO28308] FX The work at NREL was financially supported by U.S. Department of Energy under Contract No. DE-AC36-08-GO28308. NR 20 TC 0 Z9 0 U1 6 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD AUG PY 2016 VL 153 BP 44 EP 51 DI 10.1016/j.solmat.2016.04.009 PG 8 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DO4EP UT WOS:000377734900006 ER PT J AU Brock, R Rewari, R Novoa, FD Hebert, P Ermer, J Miller, DC Dauskardt, RH AF Brock, Ryan Rewari, Raunaq Novoa, Fernando D. Hebert, Peter Ermer, James Miller, David C. Dauskardt, Reinhold H. TI Quantitative adhesion characterization of antireflective coatings in multijunction photovoltaics SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Multijunction; Photovoltaic; Antireflective; Delamination; Adhesion; Reliability ID SOLAR-CELLS; TESTS AB We discuss the development of a new composite dual cantilever beam (cDCB) thin-film adhesion testing method, which enables the quantitative measurement of adhesion on the thin and fragile substrates used in multijunction photovoltaics. In particular, we address the adhesion of several 2- and 3-layer antireflective coating systems on multijunction cells. By varying interface chemistry and morphology through processing, we demonstrate the marked effects on adhesion and help to develop an understanding of how high adhesion can be achieved, as adhesion values ranging from 0.5 J/m(2) to 10 J/m(2) were measured. Damp heat (85 degrees C/85% RH) was used to invoke degradation of interfacial adhesion. We demonstrate that even with germanium substrates that fracture relatively easily, quantitative measurements of adhesion can be made at high test yield. The cDCB test is discussed as an important new methodology, which can be broadly applied to any system that makes use of thin, brittle, or otherwise fragile substrates. (C) 2016 Elsevier B.V. All rights reserved. C1 [Brock, Ryan; Rewari, Raunaq; Novoa, Fernando D.; Dauskardt, Reinhold H.] Stanford Univ, Dept Mat Sci & Engn, 496 Lomita Mall,Durand Bldg,Rm 121, Stanford, CA 94305 USA. [Hebert, Peter; Ermer, James] Spectrolab Inc, Sylmar, CA 91342 USA. [Miller, David C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Dauskardt, RH (reprint author), Stanford Univ, Dept Mat Sci & Engn, 496 Lomita Mall,Durand Bldg,Rm 121, Stanford, CA 94305 USA. EM dauskardt@stanford.edu FU Department of Energy's Office of Energy Efficiency & Renewable Energy as part of the PREDICTS (Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar) program [DOE-EE0006343]; Spectrolab, Inc. (A Boeing Company) FX This study was supported by the Department of Energy's Office of Energy Efficiency & Renewable Energy as part of the PREDICTS (Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar) program (DOE-EE0006343) and carried out in collaboration with Spectrolab, Inc. (A Boeing Company). NR 31 TC 0 Z9 0 U1 8 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD AUG PY 2016 VL 153 BP 78 EP 83 DI 10.1016/j.solmat.2016.04.027 PG 6 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DO4EP UT WOS:000377734900010 ER PT J AU Hoffmann, PM Hrbek, J Ma, S Park, JB Rodriguez, JA Stacchiola, DJ Senanayake, SD AF Hoffmann, P. M. Hrbek, J. Ma, S. Park, J. B. Rodriguez, J. A. Stacchiola, D. J. Senanayake, S. D. TI Enhancing the reactivity of gold: Nanostructured Au(111) adsorbs CO SO SURFACE SCIENCE LA English DT Article DE CO adsorption; Sputtered Au(111) surface; STM; IRAS; NEXAFS ID SCANNING-TUNNELING-MICROSCOPY; CARBON-MONOXIDE; ION-EROSION; MORPHOLOGICAL EVOLUTION; ADSORPTION STATES; METAL-SURFACES; ACTIVE-SITES; SPECTROSCOPY; MOLECULES; SPECTRA AB Low-coordinated sites are surface defects whose presence can transform a surface of inert or noble metal such as Au into an active catalyst. Starting with a well-ordered Au(111) surface we prepared by ion sputtering gold surfaces modified by pits, used microscopy (STM) for their structural characterization and CO spectroscopy (IRAS and NEXAFS) for probing reactivity of surface defects. In contrast to the Au(111) surface CO adsorbs readily on the pitted surfaces bonding to low-coordinated sites identified as step atoms forming {111} and {100} microfacets. Pitted nanostructured surfaces can serve as interesting and easily prepared models of catalytic surfaces with defined defects that offer an attractive alternative to vicinal surfaces or nanoparticles commonly employed in catalysis science. (C) 2015 Elsevier B.V. All rights reserved. C1 [Hoffmann, P. M.] BMCC CUNY, Dept Sci, New York, NY 10007 USA. [Hrbek, J.; Ma, S.; Park, J. B.; Rodriguez, J. A.; Stacchiola, D. J.; Senanayake, S. D.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Park, J. B.] Chonbuk Natl Univ, Dept Chem Educ, Jeonju 561756, South Korea. [Park, J. B.] Chonbuk Natl Univ, Inst Fus Sci, Jeonju 561756, South Korea. RP Senanayake, SD (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM ssenanay@bnl.gov RI Stacchiola, Dario/B-1918-2009; Senanayake, Sanjaya/D-4769-2009 OI Stacchiola, Dario/0000-0001-5494-3205; Senanayake, Sanjaya/0000-0003-3991-4232 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, and Catalysis Science Program [11 DE-SC0012704]; PSC-CUNY grant [67356-00 45] FX The research was carried out 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. 11 DE-SC0012704. FMH acknowledges support from PSC-CUNY grant #67356-00 45. This work used resources of beamline U12a of the National Synchrotron Light Source (NSLS), which is a DOE Office of Science User Facility. NR 44 TC 0 Z9 0 U1 10 U2 34 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD AUG PY 2016 VL 650 SI SI BP 17 EP 23 DI 10.1016/j.susc.2015.11.021 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DO5QL UT WOS:000377837800005 ER PT J AU Grinter, DC Park, JB Agnoli, S Evans, J Hrbek, J Stacchiola, DJ Senanayake, SD Rodriguez, JA AF Grinter, D. C. Park, J. B. Agnoli, S. Evans, J. Hrbek, J. Stacchiola, D. J. Senanayake, S. D. Rodriguez, J. A. TI Water-gas shift reaction over gold nanoparticles dispersed on nanostructured CeOx-TiO2(110) surfaces: Effects of high ceria coverage SO SURFACE SCIENCE LA English DT Article DE STM; TiO2(110); CeO2; Gold; Water-gas shift ID MIXED-METAL OXIDE; TITANIA CATALYSTS; RUTILE TIO2(110); NANOMETER LEVEL; AU/CEOX/TIO2(110); MECHANISM; CLUSTERS; PLATINUM; COPPER; TIO2 AB Scanning tunnelling microscopy has been used to study the morphology of an overlayer of ceria in contact with a TiO2(110) substrate. Two types of domains were observed after ceria deposition. An ordered ceria film covered half of the surface and high-resolution imaging suggested a near-c(6 x 2) relationship to the underlying TiO2(110)-(1 x 1). The other half of the surface comprised CeOx nanoparticles and reconstructed TiOx supported on TiO2(110)-(1 x 1). Exposure to a small amount of gold resulted in the formation of isolated gold atoms and small clusters on the ordered ceria film and TiO2(110)-(1 x 1) areas, which exhibited significant sintering at 500 K and showed strong interaction between the sintered gold clusters and the domain boundaries of the ceria film. The Au/CeOx/FiO(2)(110) model system proved to be a good catalyst for the water-gas shift (WGS) exhibiting much higher turnover frequencies (TOFs) than Cu(111) and Pt(111) benchmarks, or the individual Au/TiO2(110) and Au/CeO2(111) systems. For Au/CeOx/FiO(2)(110) catalysts, there was a decrease in catalytic activity with increasing ceria coverage that correlates with a reduction in the concentration of Ce3+ formed during WGS reaction conditions. Published by Elsevier B.V. C1 [Grinter, D. C.; Park, J. B.; Agnoli, S.; Hrbek, J.; Stacchiola, D. J.; Senanayake, S. D.; Rodriguez, J. A.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Evans, J.] Cent Univ Venezuela, Fac Ciencias, Caracas 1020A, Venezuela. RP Rodriguez, JA (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM rodrigez@bni.gov RI Stacchiola, Dario/B-1918-2009; Senanayake, Sanjaya/D-4769-2009; OI Stacchiola, Dario/0000-0001-5494-3205; Senanayake, Sanjaya/0000-0003-3991-4232; Grinter, David/0000-0001-6089-119X FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, and Catalysis Science Program [DE-SC0012704]; INTEVEP; IBD FX The authors are grateful to S. Ma for his help in STM experiments examining the behaviour of moderate coverages of ceria on titania. The research carried out in this manuscript 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. The work done at the Universidad Central de Venezuela was partially financed by INTEVEP and IBD. NR 27 TC 3 Z9 3 U1 17 U2 57 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD AUG PY 2016 VL 650 SI SI BP 34 EP 39 DI 10.1016/j.susc.2015.10.002 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DO5QL UT WOS:000377837800007 ER PT J AU Chen, L Smith, RS Kay, BD Dohnalek, Z AF Chen, Long Smith, R. Scott Kay, Bruce D. Dohnalek, Zdenek TI Adsorption of small hydrocarbons on rutile TiO2(110) SO SURFACE SCIENCE LA English DT Article DE Hydrocarbons; Adsorption; Desorption; Temperature programmed desorption; Sticking coefficient ID H BOND-CLEAVAGE; PROPANE SIGMA-COMPLEXES; SINGLE-CRYSTAL SURFACES; N-BUTANE; MOLECULAR ADSORPTION; DESORPTION-KINETICS; REDUCED TIO2(001); MAGNESIUM-OXIDE; THIN-FILMS; ALKANES AB Temperature programmed desorption and molecular beam scattering were used to study the adsorption and desorption of small hydrocarbons (n-alkanes, 1-alkenes and 1-alkynes of C-1-C-4) on rutile TiO2(110). We show that the sticking coefficients for all the hydrocarbons are close to unity (>0.95) at an adsorption temperature of 60 K. The desorption energies for hydrocarbons of the same chain length increase from n-alkanes to 1-alkenes and to 1-alkynes. This trend is likely a consequence of additional dative bonding of the alkene and alkyne pi system to the coordinatively unsaturated Ti-5C sites. Similar to previous studies on the adsorption of n-alkanes on metal and metal oxide surfaces, we find that the desorption energies within each group (n-alkanes vs. 1-alkenes vs. 1-alkynes) from Ti-5C sites increase linearly with the chain length. The absolute saturation coverages of each hydrocarbon on Ti-5C, sites were also determined. The saturation coverage of CH4, is found to be similar to 2/3 monolayer (ML). The saturation coverages of C-2-C-4 hydrocarbons are found nearly independent of the chain length with values of similar to 1/2 ML for n-alkanes and 1-alkenes and 2/3 ML for 1-alkynes. This result is surprising considering their similar sizes. (C) 2015 Elsevier B.V. All rights reserved. C1 [Dohnalek, Zdenek] Pacific NW Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA. Pacific NW Natl Lab, Inst Integrated Catalysis, Richland, WA 99352 USA. RP Dohnalek, Z (reprint author), Pacific NW Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA. EM Zdenek.Dohnalek@pnnl.gov RI Smith, Scott/G-2310-2015 OI Smith, Scott/0000-0002-7145-1963 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences [KC0301050-47319]; Department of Energy's Office of Biological and Environmental Research FX This work was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences under grant KC0301050-47319, and performed in EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for the DOE by Battelle. NR 77 TC 5 Z9 5 U1 12 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD AUG PY 2016 VL 650 SI SI BP 83 EP 92 DI 10.1016/j.susc.2015.11.002 PG 10 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DO5QL UT WOS:000377837800014 ER PT J AU Shan, JJ Lucci, FR Liu, JL El-Soda, M Marcinkowski, MD Allard, LF Sykes, ECH Flytzani-Stephanopoulos, M AF Shan, Junjun Lucci, Felicia R. Liu, Jilei El-Soda, Mostafa Marcinkowski, Matthew D. Allard, Lawrence F. Sykes, E. Charles H. Flytzani-Stephanopoulos, Maria TI Water co-catalyzed selective dehydrogenation of methanol to formaldehyde and hydrogen SO SURFACE SCIENCE LA English DT Article DE Non-oxidative alcohol dehydrogenation; Methanol; STM; Single atom alloys; PtCu alloys ID ANHYDROUS FORMALDEHYDE; HETEROGENEOUS CATALYSIS; THERMAL-DESORPTION; CU(111) SURFACE; METAL-CATALYSTS; ADSORPTION; OXYGEN; OXIDATION; DECOMPOSITION; NANOPARTICLES AB The non-oxidative dehydrogenation-of methanol to formaldehyde is considered a promising method to produce formaldehyde and clean hydrogen gas. Although Cu-based catalysts have an excellent catalytic activity in the oxidative dehydrogenation of methanol, metallic Cu is commonly believed to be unreactive for the dehydrogenation of methanol in the absence of oxygen adatoms or oxidized copper. Herein we show that metallic Cu can catalyze the dehydrogenation of methanol in the absence of oxygen adatoms by using water as a co-catalyst both under realistic reaction conditions using silica-supported PtCu nanoparticles in a flow reactor system at temperatures below 250 degrees C, and in ultra-high vacuum using model PtCu(111) catalysts. Adding small amounts of isolated Pt atoms into the Cu surface to form PtCu single atom alloys (SAAs) greatly enhances the dehydrogenation activity of Cu. Under the same reaction conditions, the yields of formaldehyde from PtCu SAA nanoparticles are more than one order of magnitude higher than on the Cu nanoparticles, indicating a significant promotional effect of individual, isolated Pt atoms. Moreover, this study also shows the unexpected role of water in the activation of methanol. Water, a catalyst for methanol dehydrogenation at low temperatures, becomes a reactant in the methanol steam reforming reactions only at higher temperatures over the same metal catalyst. (C) 2016 Elsevier B.V. All rights reserved. C1 [Shan, Junjun; Liu, Jilei; Flytzani-Stephanopoulos, Maria] Tufts Univ, Dept Chem & Biol Engn, Medford, MA 02155 USA. [Lucci, Felicia R.; El-Soda, Mostafa; Marcinkowski, Matthew D.; Sykes, E. Charles H.] Tufts Univ, Dept Chem, Medford, MA 02155 USA. [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, Medford, MA 02155 USA.; Sykes, ECH (reprint author), Tufts Univ, Dept Chem, Medford, MA 02155 USA. EM charles.sykes@tufts.edu; maria.flytzani-stephanopoulos@tufts.edu OI Soda, Mostafa/0000-0002-7772-5742 FU Department of Energy, DOE EFRC/IMASC grant [DE-SC0012573]; DOE/BES grant [DE-FG02-05ER15730]; DOE Office of Science [DE-AC02-06CH11357]; U. S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Propulsion Materials Program FX We thank the Department of Energy, DOE EFRC/IMASC grant# DE-SC0012573 for the financial support of this work. Partial support of J.L. by DOE/BES grant DE-FG02-05ER15730 is also gratefully acknowledged. J.S. thanks Drs. Sungsik Lee and Benjamin Reinhart from Argonne National Lab for their assistance with the in-situ XAS experiments. The XAS 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. 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 59 TC 3 Z9 3 U1 42 U2 91 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD AUG PY 2016 VL 650 SI SI BP 121 EP 129 DI 10.1016/j.susc.2016.02.010 PG 9 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DO5QL UT WOS:000377837800018 ER PT J AU Kwolek, EJ Widmer, R Groning, O Deniz, O Walen, H Yuen, CD Huang, WY Schlagel, DL Wallingford, M Brundle, CR Thiel, PA AF Kwolek, Emma J. Widmer, Roland Groning, Oliver Deniz, Okan Walen, Holly Yuen, Chad D. Huang, Wenyu Schlagel, Deborah L. Wallingford, Mark Brundle, C. R. Thiel, Patricia A. TI Interaction of oxygen with the (111) surface of NaAu2 SO SURFACE SCIENCE LA English DT Article DE XPS; NaAu2; Intermetallic; Oxidation ID AU NANOPARTICLES; GOLD CATALYSTS; NANOPOROUS GOLD; LOW-TEMPERATURE; ADSORPTION; CARBONATE; OXIDATION; METHANOL; AUGER; OXIDE AB NaAu2, in powder form, is known to be an active catalyst for CO oxidation. The goal of the present study is to elucidate the interaction of one reactant, molecular oxygen, with a single-crystal surface of this material, NaAu2(111). Exposing the clean surface to gas-phase molecular oxygen produces three types of oxygen on the surface. One type is bound in spurious carbonate that forms during exposure. The second is adsorbed atomic oxygen that interacts both with Na and Au. The third type is atomic oxygen that interacts mainly or only with Na. We propose that the last species is an oxide of Na distributed throughout the surface and near-surface region. Its formation is accompanied by surface segregation of Na. (C) 2015 Elsevier B.V. All rights reserved. C1 [Kwolek, Emma J.; Walen, Holly; Yuen, Chad D.; Huang, Wenyu; Thiel, Patricia A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Widmer, Roland; Groning, Oliver; Deniz, Okan] Swiss Fed Labs Mat Sci & Technol, EMPA, Nanotech Surfaces Lab, Ueberlandstr 129, CH-8600 Dubendorf, Switzerland. [Schlagel, Deborah L.; Wallingford, Mark; Thiel, Patricia A.] Ames Lab, Ames, IA 50011 USA. [Brundle, C. R.] CR Brundle & Associates, 4215 Fairway Dr, Soquel, CA 95073 USA. [Thiel, Patricia A.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Yuen, Chad D.] Augustana Coll, Dept Chem & Biochem, Rock Isl, IL 61201 USA. RP Kwolek, EJ (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM ejkwolek@iastate.edu RI Groning, Oliver/J-9727-2012; Widmer, Roland/E-7803-2011; Huang, Wenyu/L-3784-2014; Deniz, Okan/J-9874-2014 OI Widmer, Roland/0000-0002-9226-3136; Huang, Wenyu/0000-0003-2327-7259; Deniz, Okan/0000-0001-8634-8849 FU Swiss National Science Foundation [200021-129511]; John D. Corbett Endowment of Iowa State University FX This work was a collaboration between EMPA in Dubendorf, Switzerland, and Iowa State University in Ames, Iowa. Accordingly, this work was supported from two sources: the Swiss National Science Foundation (contract number 200021-129511), and the John D. Corbett Endowment of Iowa State University. NR 36 TC 1 Z9 1 U1 3 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD AUG PY 2016 VL 650 SI SI BP 167 EP 176 DI 10.1016/j.susc.2015.12.015 PG 10 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DO5QL UT WOS:000377837800023 ER PT J AU Velasco-Velez, JJ Davaasuren, B Scherzer, M Cap, S Willinger, M Guo, JH Schlogl, R Knop-Gericke, A AF Velasco-Velez, J. J. Davaasuren, B. Scherzer, M. Cap, S. Willinger, M. Guo, J-H. Schloegl, R. Knop-Gericke, A. TI Exploring the incorporation of nitrogen in titanium and its influence on the electrochemical corrosion resistance in acidic media SO SURFACE SCIENCE LA English DT Article DE Titanium nitride; CVD reactor; Electrolyzer; Corrosion resistance; Soft X-ray spectroscopy ID PEM WATER ELECTROLYSERS; VISIBLE-LIGHT; DOPED TIO2; PHOTOCATALYTIC ACTIVITY; ELECTRONIC-STRUCTURE; HYDROGEN-PRODUCTION; RENEWABLE ENERGY; NANOPARTICLES; SURFACE; ANATASE AB The role of the nitrogen incorporation into titanium, its chemical nature, the location in the titanium lattice and its electrochemical performance were investigated by a combination of several spectroscopy and microscopy techniques using samples prepared by CVD of NH3 at different temperatures and successive electrochemically tested in 1 M of HClO4. We found that nitrogen is incorporated in either the interstitial or substitutional site of the lattice depending on the preparation temperature modifying strongly its corrosion resistance which was ascribed to the N 2p hybridization with the Ti 3d orbitals. It was found that at low temperature the N 2p orbitals were more likely to hybridize with Ti-3d-t(2g) orbitals while higher temperature favors the hybridization with the Ti-3d-e(g) orbitals. This is responsible for the corrosion resistance shown by the samples prepared at higher temperature. (C) 2016 Elsevier B.V. All rights reserved. C1 [Velasco-Velez, J. J.; Willinger, M.; Schloegl, R.] Max Planck Inst Chem Energy Convers, D-45470 Mulheim, Germany. [Davaasuren, B.; Scherzer, M.; Cap, S.; Schloegl, R.; Knop-Gericke, A.] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany. [Guo, J-H.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Velasco-Velez, JJ (reprint author), Max Planck Inst Chem Energy Convers, D-45470 Mulheim, Germany. EM velasco@fhi-berlin.mpg.de FU Ministry of Education and Science of the Russian Federation [14.616.21.0007]; Bundesministerium fur Bildung and Forschung [05K2014]; Alexander von Humboldt Foundation; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX We thank the staff at BESSY of the HZB for supporting the operation. HZB is acknowledged for granting beamtime at the ISSIS endstation under proposal #14201159. We thank the Ministry of Education and Science of the Russian Federation (agreement #14.616.21.0007) and Bundesministerium fur Bildung and Forschung (project #05K2014) for financial support in the framework of joint Russian-German research project "SYnchrotron and NEutron STudies for Energy Storage (SYNESTESia)". JV gratefully acknowledges financial support from the Alexander von Humboldt Foundation. 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. We thank Dr. Benjamin Johnson for helping during the manuscript preparation. NR 42 TC 0 Z9 0 U1 16 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD AUG PY 2016 VL 650 SI SI BP 272 EP 278 DI 10.1016/j.susc.2016.01.007 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA DO5QL UT WOS:000377837800034 ER PT J AU Feng, B Dixon, B Sunny, E Cuadra, A Jacobson, J Brown, NR Powers, J Worrall, A Passerini, S Gregg, R AF Feng, B. Dixon, B. Sunny, E. Cuadra, A. Jacobson, J. Brown, N. R. Powers, J. Worrall, A. Passerini, S. Gregg, R. TI Standardized verification of fuel cycle modeling SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE DYMOND; VISION; ORION; MARKAL AB A nuclear fuel cycle systems modeling and code-to-code comparison effort was coordinated across multiple national laboratories to verify the tools needed to perform fuel cycle analyses of the transition from a once-through nuclear fuel cycle to a sustainable potential future fuel cycle. For this verification study, a simplified example transition scenario was developed to serve as a test case for the four systems codes involved (DYMOND, VISION, ORION, and MARKAL), each used by a different laboratory participant. In addition, all participants produced spreadsheet solutions for the test case to check all the mass flows and reactor/facility profiles on a year-by-year basis throughout the simulation period. The test case specifications describe a transition from the current US fleet of light water reactors to a future fleet of sodium-cooled fast reactors that continuously recycle transuranic elements as fuel. After several initial coordinated modeling and calculation attempts, it was revealed that most of the differences in code results were not due to different code algorithms or calculation approaches, but due to different interpretations of the input specifications among the analysts. Therefore, the specifications for the test case itself were iteratively updated to remove ambiguity and to help calibrate interpretations. In addition, a few corrections and modifications were made to the codes as well, which led to excellent agreement between all codes and spreadsheets for this test case. Although no fuel cycle transition analysis codes matched the spreadsheet results exactly, all remaining differences in the results were due to fundamental differences in code structure and/or were thoroughly explained. The specifications and example results are provided so that they can be used to verify additional codes in the future for such fuel cycle transition scenarios. (C) 2016 Published by Elsevier Ltd. C1 [Feng, B.; Passerini, S.] Argonne Natl Lab, Argonne, IL 60439 USA. [Dixon, B.; Jacobson, J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Sunny, E.; Brown, N. R.; Powers, J.; Worrall, A.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Cuadra, A.; Brown, N. R.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Gregg, R.] Natl Nucl Lab, Workington, Cumbria, England. RP Feng, B (reprint author), Argonne Natl Lab, Argonne, IL 60439 USA. OI Powers, Jeffrey/0000-0003-3653-3880 FU Fuel Cycle Options Campaign within the U.S. DOE Office of Nuclear Energy (Fuel Cycle Technologies); U.S. Department of Energy [DE-AC02-06CH11357, DE-AC02-98CH10886, DE-AC0500OR22725]; U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517]; 'Signature Research' program FX The work performed by ANL, BNL, INL, and ORNL was funded through the Fuel Cycle Options Campaign within the U.S. DOE Office of Nuclear Energy (Fuel Cycle Technologies). Argonne National Laboratory is supported under U.S. Department of Energy contract DE-AC02-06CH11357. Brookhaven National Laboratory is supported under U.S. Department of Energy contract DE-AC02-98CH10886. Idaho National Laboratory is supported by the U.S. Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. Oak Ridge National Laboratory is supported under U.S. Department of Energy contract DE-AC0500OR22725. National Nuclear Laboratory is supported by an internally funded 'Signature Research' program. NR 9 TC 3 Z9 3 U1 0 U2 3 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 AUG PY 2016 VL 94 BP 300 EP 312 DI 10.1016/j.anucene.2016.03.002 PG 13 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DN7BZ UT WOS:000377231600034 ER PT J AU Fensin, ML James, MR AF Fensin, M. L. James, M. R. TI Biasing secondary particle interaction physics and production in MCNP6 SO ANNALS OF NUCLEAR ENERGY LA English DT Article DE MCNP6; (a,n); Secondary particle biasing ID ACCELERATOR MAINTENANCE; NEUTRON YIELDS; ALPHA; RATES AB Though MCNP6 will transport elementary charged particles and light ions to low energies (i.e. less than 20 MeV), MCNP6 has historically relied on model physics with suggested minimum energies of similar to 20 to 200 MeV. Use of library data for the low energy regime was developed for MCNP6 1.1.Beta to read and use light ion libraries. Thick target yields of neutron production for alphas on fluoride result in 1 production event per roughly million sampled alphas depending on the energy of the alpha (for other isotopes the yield can be even rarer). Calculation times to achieve statistically significant and converged thick target yields are quite laborious, needing over one hundred processor hours. The MUCEND code possess a biasing technique for improving the sampling of secondary particle production by forcing a nuclear interaction to occur per each alpha transported. We present here a different biasing strategy for secondary particle production from charged particles. During each substep, as the charged particle slows down, we bias both a nuclear collision event to occur at each substep and the production of secondary particles at the collision event, while still continuing to progress the charged particle until reaching a region of zero importance or an energy/time cutoff. This biasing strategy is capable of speeding up calculations by a factor of a million or more as compared to the unbiased calculation. Further presented here are both proof that the biasing strategy is capable of producing the same results as the unbiased calculation and the limitations to consider in order to achieve accurate results of secondary particle production. Though this strategy was developed for MCNP6 the technique can be leveraged in any fusion Monte Carlo code using library data with the condensed random walk algorithm. Published by Elsevier Ltd. C1 [Fensin, M. L.; James, M. R.] Los Alamos Natl Lab, MS C921, Los Alamos, NM 87545 USA. RP Fensin, ML (reprint author), Los Alamos Natl Lab, MS C921, Los Alamos, NM 87545 USA. EM mfensin@lanl.gov NR 30 TC 0 Z9 0 U1 1 U2 3 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 AUG PY 2016 VL 94 BP 618 EP 625 DI 10.1016/j.anucene.2016.03.025 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA DN7BZ UT WOS:000377231600067 ER PT J AU Liu, J Mao, XM Zhou, WG Guarnieri, MT AF Liu, Jin Mao, Xuemei Zhou, Wenguang Guarnieri, Michael T. TI Simultaneous production of triacylglycerol and high-value carotenoids by the astaxanthin-producing oleaginous green microalga Chlorella zofingiensis SO BIORESOURCE TECHNOLOGY LA English DT Article DE Astaxanthin; Biofuels; Chlorella zofingiensis; Integrated production; Stress conditions; Triacylglycerol ID HAEMATOCOCCUS-PLUVIALIS; OUTDOOR CULTIVATION; LIPID PRODUCTIVITY; DESATURASE GENE; OPEN POND; ACCUMULATION; BIODIESEL; PHOTOBIOREACTOR; VULGARIS; STRAINS AB The production of lipids and astaxanthin, a high-value carotenoid, by Chlorella zofingiensis was investigated under different culture conditions. Comparative analysis revealed a good correlation between triacylglycerol (TAG) and astaxanthin accumulation in C. zofingiensis. Stress conditions promoted cell size and weight and induced the accumulation of neutral lipids, especially TAG and astaxanthin, with a concomitant decrease in membrane lipids. The highest contents of TAG and astaxanthin achieved were 387 and 4.89 mg g(-1) dry weight, respectively. A semi-continuous culture strategy was developed to optimize the TAG and astaxanthin productivities, which reached 297 and 3.3 mg L-1 day(-1), respectively. Additionally, astaxanthin accumulation was enhanced by inhibiting de novo fatty acid biosynthesis. In summary, our study represents a pioneering work of utilizing Chlorella for the integrated production of lipids and high-value products and C. zofingiensis has great potential to be a promising production strain and serve as an emerging oleaginous model alga. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Liu, Jin; Mao, Xuemei] Peking Univ, Inst Food & Bioresource Engn, Coll Engn, Beijing 100871, Peoples R China. [Liu, Jin; Mao, Xuemei] Peking Univ, Dept Energy & Resources Engn, Coll Engn, Beijing 100871, Peoples R China. [Zhou, Wenguang] Nanchang Univ, Sch Resources Environm & Chem Engn, Nanchang, Peoples R China. [Zhou, Wenguang] Nanchang Univ, MOE Biomass Engn Res Ctr, Nanchang, Peoples R China. [Zhou, Wenguang] Univ Minnesota, Bioprod & Biosyst Engn Dept, Ctr Biorefining, St Paul, MN 55108 USA. [Guarnieri, Michael T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO 80401 USA. RP Liu, J (reprint author), Peking Univ, Inst Food & Bioresource Engn, Coll Engn, Beijing 100871, Peoples R China.; Liu, J (reprint author), Peking Univ, Dept Energy & Resources Engn, Coll Engn, Beijing 100871, Peoples R China. EM gjinliu@pku.edu.cn FU National Natural Science Foundation of China [31571807]; start-up grant from National Youth Thousand Talents Program; 985 Project of Peking University FX This study was partially supported by a grant from the National Natural Science Foundation of China (Project No.: 31571807) and a start-up grant from the National Youth Thousand Talents Program and a grant from the 985 Project of Peking University. NR 35 TC 1 Z9 1 U1 21 U2 58 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD AUG PY 2016 VL 214 BP 319 EP 327 DI 10.1016/j.biortech.2016.04.112 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA DN8YW UT WOS:000377366900042 PM 27152772 ER PT J AU Salvachua, D Smith, H St John, PC Mohagheghi, A Peterson, DJ Black, BA Dowe, N Beckham, GT AF Salvachua, Davinia Smith, Holly St John, Peter C. Mohagheghi, Ali Peterson, Darren J. Black, Brenna A. Dowe, Nancy Beckham, Gregg T. TI Succinic acid production from lignocellulosic hydrolysate by Basfia succiniciproducens SO BIORESOURCE TECHNOLOGY LA English DT Article DE Biorefinery; Biochemical; Corn stover; Xylose; Actinobacillus succinogenes ID ENGINEERED CORYNEBACTERIUM-GLUTAMICUM; ACTINOBACILLUS-SUCCINOGENES ZT-130; MANNHEIMIA-SUCCINICIPRODUCENS; BATCH FERMENTATION; WOOD HYDROLYSATE; METABOLIC FLUX; BIOMASS; INHIBITION; GROWTH; STATE AB The production of chemicals alongside fuels will be essential to enhance the feasibility of lignocellulosic biorefineries. Succinic acid ( SA), a naturally occurring C4-diacid, is a primary intermediate of the tricarboxylic acid cycle and a promising building block chemical that has received significant industrial attention. Basfia succiniciproducens is a relatively unexplored SA-producing bacterium with advantageous features such as broad substrate utilization, genetic tractability, and facultative anaerobic metabolism. Here B. succiniciproducens is evaluated in high xylose-content hydrolysates from corn stover and different synthetic media in batch fermentation. SA titers in hydrolysate at an initial sugar concentration of 60 g/L reached up to 30 g/L, with metabolic yields of 0.69 g/g, and an overall productivity of 0.43 g/L/h. These results demonstrate that B. succiniciproducens may be an attractive platform organism for bio-SA production from biomass hydrolysates. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Salvachua, Davinia; Smith, Holly; St John, Peter C.; Mohagheghi, Ali; Peterson, Darren J.; Black, Brenna A.; Dowe, Nancy; Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Beckham, GT (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM gregg.beckham@nrel.gov FU US Department of Energy BioEnergy Technologies Office; U.S. Government FX We thank Dan Schell and his group for supplying hydrolysate. We thank the US Department of Energy BioEnergy Technologies Office for funding this work. 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 33 TC 2 Z9 2 U1 4 U2 22 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 EI 1873-2976 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD AUG PY 2016 VL 214 BP 558 EP 566 DI 10.1016/j.biortech.2016.05.018 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA DN8YW UT WOS:000377366900071 PM 27179951 ER PT J AU Holcomb, GR Carney, C Dogan, ON AF Holcomb, Gordon R. Carney, Casey Dogan, Omer N. TI Oxidation of alloys for energy applications in supercritical CO2 and H2O SO CORROSION SCIENCE LA English DT Article DE Stainless steel; Superalloy; Weight loss; Oxidation; High temperature corrosion ID OXIDE HYDROXIDE EVAPORATION; CR-NI ALLOYS; CARBON-DIOXIDE; HIGH-TEMPERATURE; WATER-VAPOR; CORROSION BEHAVIOR; FE-CR; MARTENSITIC STEELS; STEAM OXIDATION; POWER-PLANTS AB To facilitate development of supercritical CO2 (sCO(2)) power plants, a comparison of the oxidation behavior of austenitic stainless steels and Ni-base alloys in sH(2)O and sCO(2) were made. Experiments were conducted at 730 degrees C/207 bar (sCO(2)) and 726 degrees C/208 bar (sH(2)O). Ni-base alloys in sCO(2) did not exhibit much change with pressure. Ni-base alloys in sH(2)O had an increase in corrosion rate and the log of the parabolic rate constant was proportional to pressure. Fine-grain austenitic stainless steels in sCO(2) and sH(2)O were both less protective with pressure as the dense protective chromia scale was replaced with faster growing Fe -oxide rich scales. Published by Elsevier Ltd. C1 [Holcomb, Gordon R.; Carney, Casey; Dogan, Omer N.] Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. [Carney, Casey] AECOM, 1450 Queen Ave SW, Albany, OR 97321 USA. RP Holcomb, GR (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. EM gordon.holcomb@netl.doe.gov; casey.carney@netl.doe.gov; omer.dogan@netl.doe.gov FU Advanced Combustion Program at the National Energy Technology Laboratory (NETL)-Strategic Center for Coal FX This work was funded by the Advanced Combustion Program at the National Energy Technology Laboratory (NETL)-Strategic Center for Coal, managed by Richard Dennis (Technology Manager) and Briggs White (Technology Monitor). The research was executed through NETL's Research and Innovation Center's Advanced Combustion Field Work Proposal. NR 46 TC 1 Z9 1 U1 19 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-938X EI 1879-0496 J9 CORROS SCI JI Corrosion Sci. PD AUG PY 2016 VL 109 BP 22 EP 35 DI 10.1016/j.corsci.2016.03.018 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA DN7CE UT WOS:000377232100003 ER PT J AU Pint, BA Unocic, KA Haynes, JA AF Pint, Bruce A. Unocic, Kinga A. Haynes, J. Allen TI The Effect of Environment on Thermal Barrier Coating Lifetime SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article ID HIGH-TEMPERATURE OXIDATION; GAMMA' NIPTAL COATINGS; GROWN ALUMINA SCALES; WATER-VAPOR; BOND COATINGS; SUBSTRATE COMPOSITION; TBC LIFETIME; ALLOYS; BEHAVIOR; SUPERALLOYS AB While the water vapor content of the combustion gas in natural gas-fired land-based turbines is similar to 10%, it can be 20-85% with coal-derived (syngas or H-2) fuels or innovative turbine concepts for more efficient carbon capture. Additional concepts envisage working fluids with high CO2 contents to facilitate carbon capture and sequestration. To investigate the effects of changes in the gas composition on thermal barrier coating (TBC) lifetime, furnace cycling tests (1-h and 100-h cycles) were performed in air with 10, 50, and 90 vol. % water vapor and CO2-10% H2O and compared to prior results in dry air or O-2. Two types of TBCs were investigated: (1) diffusion bond coatings (Pt-diffusion or Pt-modified aluminide) with commercial electron-beam physical vapor-deposited yttriastabilized zirconia (YSZ) top coatings on second-generation superalloy N5 and N515 substrates and (2) high-velocity oxygen fuel (HVOF) sprayed MCrAlYHfSi bond coatings with air plasma-sprayed YSZ top coatings on superalloys X4, 1483, or 247 substrates. For both types of coatings exposed in 1-h cycles, the addition of water vapor resulted in a decrease in coating lifetime, except for Pt-diffusion coatings which were unaffected by the environment. In 100-h cycles, environment was less critical, perhaps because coating failure was chemical (i.e., due to interdiffusion) rather than mechanical. In both 1-h and 100-h cycles, CO2 O(2)did not appear to have any negative effect on coating lifetime. C1 [Pint, Bruce A.; Unocic, Kinga A.; Haynes, J. Allen] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov FU U.S. Department of Energy, Office of Coal and Power R&D, Office of Fossil Energy FX The authors would like to thank G. W. Garner, T. M. Lowe, K. M. Cooley, H. Longmire, T. Jordan, and D. Leonard for assistance with the experimental work. Plating of Pt was conducted at Tennessee Technological University by Professor Y. Zhang. B. Hazel and B. Nagaraj at General Electric Aircraft Engines provided the N5 and N515 substrate materials and coated the specimens with EB-PVD YSZ, and Stonybrook University applied the HVOF and APS coatings. The X4 substrates were provided by K. Murphy at Alcoa Howmet, the 1483 substrates by A. Kulkarni at Siemens, and the 247 substrates by Capstone Turbine Corp. P. F. Tortorelli provided helpful comments on the manuscript. This research was sponsored by the U.S. Department of Energy, Office of Coal and Power R&D, Office of Fossil Energy (R. Dennis program manager and B. White project monitor). NR 57 TC 2 Z9 2 U1 12 U2 29 PU ASME PI NEW YORK PA TWO PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 EI 1528-8919 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD AUG PY 2016 VL 138 IS 8 AR 082102 DI 10.1115/1.4032438 PG 7 WC Engineering, Mechanical SC Engineering GA DO0ZW UT WOS:000377508800015 ER PT J AU Casella, A Hanson, B Miller, W AF Casella, Amanda Hanson, Brady Miller, William TI The effect of fuel chemistry on UO2 dissolution SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE UO2 dissolution; Fuel matrix effects; Single-pass flow-through; Nuclear fuel dissolution ID URANIUM-DIOXIDE; OXIDATIVE DISSOLUTION; NUCLEAR-FUEL; AQUEOUS DISSOLUTION; HYDROGEN-PEROXIDE; WATER RADIOLYSIS; AIR-OXIDATION; MIXED OXIDES; SPENT FUEL; CORROSION AB The dissolution rate of both unirradiated UO2 and used nuclear fuel has been studied by numerous countries as part of the performance assessment of proposed geologic repositories. In the scenario of waste package failure and groundwater contact with the fuel, the effects of variables such as temperature, dissolved oxygen, and water and fuel chemistry on the dissolution rates of the fuel are necessary to provide a quantitative estimate of the potential release over geologic time frames. The primary objective of this research was to determine the influence these parameters, with primary focus on the fuel chemistry, have on the dissolution rate of unirradiated UO2 under oxidizing repository conditions and compare them to the rates predicted by current dissolution models. Both unirradiated UO2 and UO2 doped with varying concentrations of Gd2O3, to simulate used fuel composition after long time periods when radiolysis has minor contributions to dissolution, were examined. In general, a rise in temperature increased the dissolution rate of UO2 and had a larger effect on pure UO2 than on those doped with Gd2O3. Oxygen dependence was observed in the UO2 samples with no dopant and increased as the temperature rose; in the doped fuels less dependence was observed. The addition of gadolinia into the UO2 matrix resulted in a significant decrease in the dissolution rate. The matrix stabilization effect resulting from the dopant proved even more beneficial in lowering the dissolution rate at higher temperatures and dissolved O-2 concentrations in the leachate where the rates would typically be elevated. (C) 2016 Elsevier B.V. All rights reserved. C1 [Casella, Amanda] Pacific NW Natl Lab, POB 999,MSIN P7-25, Richland, WA 99352 USA. [Hanson, Brady] Pacific NW Natl Lab, POB 999,MSIN P7-27, Richland, WA 99352 USA. [Miller, William] Univ Missouri Res Reactor, 1513 Res Pk Dr, Columbia, MO 65211 USA. RP Casella, A (reprint author), Pacific NW Natl Lab, POB 999,MSIN P7-25, Richland, WA 99352 USA. EM amanda.casella@pnnl.gov; brady.hanson@pnnl.gov FU Source Term Strategic Thrust Area of the Office of Science, Technology and Management within the U.S. Department of Energy Office of Civilian Radioactive Waste Management FX This work was sponsored in part through the Source Term Strategic Thrust Area of the Office of Science, Technology and Management within the U.S. Department of Energy Office of Civilian Radioactive Waste Management. NR 39 TC 0 Z9 0 U1 6 U2 20 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 AUG 1 PY 2016 VL 476 BP 45 EP 55 DI 10.1016/j.jnucmat.2016.04.025 PG 11 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DN8CW UT WOS:000377307800007 ER PT J AU van Rooyen, IJ Olivier, EJ Neethling, JH AF van Rooyen, I. J. Olivier, E. J. Neethling, J. H. TI Fission products silver, palladium, and cadmium identification in neutron-irradiated SiC TRISO particles using a Cs-Corrected HRTEM SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID COATED PARTICLES; AGR-1 EXPERIMENT; SILICON-CARBIDE; DIFFUSION; FUEL; TRANSPORT; RELEASE; AG; PD AB Electron microscopy investigations of selected coated particles from the first advanced gas reactor experiment at Idaho National Laboratory provided important information on fission product distribution and chemical composition in the silicon-carbide (SiC) layer. Silver precipitates were nano-sized, and therefore high-resolution transmission electron microscopy (HRTEM) was used to provide more information at the atomic level. Based on gamma-ray analysis, this particle which was irradiated to an average burnup of 19.38% fissions per initial metal atom, may have released as much as 10% of its available Ag-110 m inventory during irradiation. The HRTEM investigation focused on silver, palladium, and cadmium due to interest in silver transport mechanisms and possible correlation with palladium and silver previously found. Palladium, silver, and cadmium were found to co-exist in some of the SiC grain boundaries and triple junctions. This study confirmed palladium both at inter and intragranular sites. Phosphor was identified in SiC grain boundaries and triple points. (C) 2016 Elsevier B.V. All rights reserved. C1 [van Rooyen, I. J.] Idaho Natl Lab, Fuel Design & Dev Dept, POB 1625, Idaho Falls, ID 83415 USA. [Olivier, E. J.; Neethling, J. H.] Nelson Mandela Metropolitan Univ, Dept Phys, Ctr High Resolut Electron Microscopy, Port Elizabeth, South Africa. RP van Rooyen, IJ (reprint author), Idaho Natl Lab, Fuel Design & Dev Dept, POB 1625, Idaho Falls, ID 83415 USA. EM isabella.vanrooyen@inl.gov FU U.S. Department of Energy Office of Nuclear Energy under the Department of Energy Idaho Operations Office [DE-AC07-05ID14517]; Department of Science and Technology; National Research Foundation; Sasol FX This work was sponsored by the U.S. Department of Energy Office of Nuclear Energy under the Department of Energy Idaho Operations Office Contract DE-AC07-05ID14517. James Madden is acknowledged for FIB sample preparation. David Petti, Paul Demkowicz, and Jack Simonds are thanked for their review of this document. The Centre for HRTEM in South Africa gratefully acknowledges the Department of Science and Technology, the National Research Foundation, and Sasol for their financial support. NR 17 TC 0 Z9 0 U1 4 U2 9 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 AUG 1 PY 2016 VL 476 BP 93 EP 101 DI 10.1016/j.jnucmat.2016.04.010 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DN8CW UT WOS:000377307800012 ER PT J AU Snead, LL Contescu, CI Byun, TS Porter, W AF Snead, L. L. Contescu, C. I. Byun, T. S. Porter, W. TI Thermophysical property and pore structure evolution in stressed and non-stressed neutron irradiated IG-110 nuclear graphite SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Neutron Irradiation; Graphite; Creep ID ISOTROPIC GRAPHITE; TEMPERATURE; OXIDATION AB The nuclear graphite, IG-110, was irradiated with and without a compressive load of 5 MPa at -400 degrees C up to 9.3 x 10(25) n/m(2) (E > 0.1 MeV). Following irradiation physical properties were studied to compare the effect of graphite irradiation on microstructure developed under compression and in stress-free conditions. Properties included: dimensional change, thermal conductivity, dynamic modulus, and CTE. The effect of stress on open internal porosity was determined through nitrogen adsorption. The IG-110 graphite experienced irradiation-induced creep that is differentiated from irradiation-induced swelling. Irradiation under stress resulted in somewhat greater thermal conductivity and coefficient of thermal expansion. While a significant increase in dynamic modulus occurs, no differentiation between materials irradiated with and without compressive stress was observed. Nitrogen adsorption analysis suggests a difference in pore evolution in the 0.3-40 nm range for graphite irradiated with and without stress, but this evolution is seen to be a small contributor to the overall dimensional change. (C) 2016 Elsevier B.V. All rights reserved. C1 [Snead, L. L.] MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Contescu, C. I.; Porter, W.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Byun, T. S.] Pacific NW Natl Lab, Richland, WA USA. RP Snead, LL (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM lanceftn@gmail.com OI Contescu, Cristian/0000-0002-7450-3722 FU Office of Science, US Department of Energy; Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy; Office of Fusion Energy Sciences US Department of Energy FX The authors would like to than Joel McDuffee and Bob Sitterson for their efforts in the design and construction of irradiation capsules. Irradiations were carried out in the High Flux Isotope Reactor, an user facility funded by the Office of Science, US Department of Energy. The work presented in this manuscript was supported in part by the Advanced Fuels Campaign of the Fuel Cycle R&D program in the Office of Nuclear Energy, and the Office of Fusion Energy Sciences US Department of Energy. The authors would like to than Mr. Mark Davies for assistance with the manuscript. NR 19 TC 0 Z9 0 U1 6 U2 12 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 AUG 1 PY 2016 VL 476 BP 102 EP 109 DI 10.1016/j.jnucmat.2016.04.042 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DN8CW UT WOS:000377307800013 ER PT J AU Matyas, J Canfield, N Sulaiman, S Zumhoff, M AF Matyas, Josef Canfield, Nathan Sulaiman, Sannoh Zumhoff, Mac TI Silica-based waste form for immobilization of iodine from reprocessing plant off-gas streams SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE Immobilization; Iodine; Silver-functionalized silica aerogel; Hot uniaxial pressing; Hot isostatic pressing; Silica-based waste form ID RADIOACTIVE IODINE; BEARING APATITE; I-129 AB A high selectivity and sorption capacity for iodine and a feasible consolidation to a durable SiO2-based waste form makes silver-functionalized silica aerogel (Ag-aerogel) an attractive choice for the removal and sequestration of iodine compounds from the off-gas of a nuclear fuel reprocessing plant. Hot uniaxial pressing of iodine-loaded Ag-aerogel (20.2 mass% iodine) at 1200 degrees C for 30 min under 29 MPa pressure provided a partially sintered product with residual open porosity of 16.9% that retained -93% of sorbed iodine. Highly iodine-loaded Ag-aerogel was successfully consolidated by hot isostatic pressing at 1200 degrees C with a 30-min hold and under 207 MPa. The fully densified waste form had a bulk density of 3.3 x 10(3) kg/m(3) and contained -39 mass% iodine. The iodine was retained in the form of nano- and micro-particles of AgI that were uniformly distributed inside and along boundaries of fused silica grains. (C) 2016 Elsevier B.V. All rights reserved. C1 [Matyas, Josef; Sulaiman, Sannoh; Zumhoff, Mac] Pacific NW Natl Lab, Radiol Mat & Technol Dev, POB 999, Richland, WA 99352 USA. [Canfield, Nathan] Pacific NW Natl Lab, Electrochem Mat & Syst, POB 999, Richland, WA 99352 USA. RP Matyas, J (reprint author), Pacific NW Natl Lab, Radiol Mat & Technol Dev, POB 999, Richland, WA 99352 USA. EM Josef.Matyas@pnnl.gov FU U.S. Department of Energy's Fuel Cycle Research and Development Program; [DE-AC05-76RL01830] FX This work was funded by the U.S. Department of Energy's Fuel Cycle Research and Development Program. The Pacific Northwest National Laboratory is a multiprogram laboratory operated by Battelle under Contract Number DE-AC05-76RL01830. NR 22 TC 0 Z9 0 U1 8 U2 14 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 AUG 1 PY 2016 VL 476 BP 255 EP 261 DI 10.1016/j.jnucmat.2016.04.047 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DN8CW UT WOS:000377307800029 ER PT J AU Wachs, DM Robinson, AB Rice, FJ Kraft, NC Taylor, SC Lillo, M Woolstenhulme, N Roth, GA AF Wachs, D. M. Robinson, A. B. Rice, F. J. Kraft, N. C. Taylor, S. C. Lillo, M. Woolstenhulme, N. Roth, G. A. TI Swelling of U-7Mo/Al-Si dispersion fuel plates under irradiation - Non-destructive analysis of the AFIP-1 fuel plates SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article DE U-Mo alloy; Dispersion fuel design; Nuclear fuel; Research reactor; Post irradiation examination ID E-FUTURE PLATES; MO ALLOY FUEL AB Extensive fuel-matrix interactions leading to plate pillowing have proven to be a significant impediment to the development of a suitable high density low-enriched uranium molybdenum alloy (U-Mo) based dispersion fuel for high power applications in research reactors. The addition of silicon to the aluminum matrix was previously demonstrated to reduce interaction layer growth in mini -plate experiments. The AFIP-1 project involved the irradiation, in -canal examination, and post -irradiation examination of two fuel plates. The irradiation of two distinct full size, flat fuel plates (one using an Al-2wt%Si matrix and the other an Al-4043 (-4.8 wt% Si) matrix) was performed in the INL ATR reactor in 2008-2009. The irradiation conditions were: similar to 250 W/cm(2) peak Beginning Of Life (BOL) power, with a similar to 3.5e21 f/cm(3) peak burnup. The plates were successfully irradiated and did not show any pillowing at the end of the irradiation. This paper reports the results and interpretation of the in -canal and post -irradiation non-destructive examinations that were performed on these fuel plates. It further compares additional PIE results obtained on fuel plates irradiated in contemporary campaigns in order to allow a complete comparison with all results obtained under similar conditions. Except for a brief indication of accelerated swelling early in the irradiation of the Al-2Si plate, the fuel swelling is shown to evolve linearly with the fission density through the maximum burnup. (C) 2016 Elsevier B.V. All rights reserved. C1 [Wachs, D. M.; Kraft, N. C.; Taylor, S. C.; Woolstenhulme, N.; Roth, G. A.] Idaho Natl Lab, Nucl Fuels & Mat Div, POB 1625, Idaho Falls, ID 83415 USA. [Robinson, A. B.; Rice, F. J.] Idaho Natl Lab, Characterizat & Adv PIE Div, POB 1625, Idaho Falls, ID 83415 USA. [Lillo, M.] Idaho Natl Lab, Nucl Syst Design & Anal Div, POB 1625, Idaho Falls, ID 83415 USA. RP Wachs, DM (reprint author), Idaho Natl Lab, Nucl Fuels & Mat Div, POB 1625, Idaho Falls, ID 83415 USA. EM daniel.wachs@inl.gov FU U.S. Department of Energy by Battelle Energy Alliance [DE-AC07-05ID14157]; U.S. Department of Energy, Office of Material Management and Minimization, National Nuclear Security Administration, under DOE-NE Idaho Operations Office [DE-AC07-051D14517]; U.S. Government FX This research used resources at various Idaho National Laboratory facilities, which is operated on behalf of the U.S. Department of Energy by Battelle Energy Alliance under contract No. DE-AC07-05ID14157. Appreciated contributions were made by Glenn Moore and other operating staff of the Material and Fuels Complex Nuclear Fabrication Division at the Fuels and Applied Science Building who coordinated production and acceptance of the fuel plates, Jim Williams and other operating staff at the Advanced Test Reactor for irradiation and handling of the experiment, Paul Lind and other operating staff at the Hot Fuel Examination Facility for examination of the experiment, and the Analytical Laboratory for chemical burnup analysis.; This work was supported by the U.S. Department of Energy, Office of Material Management and Minimization, National Nuclear Security Administration, under DOE-NE Idaho Operations Office Contract DE-AC07-051D14517. This manuscript was authored by a contractor for the U.S. Government. 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 manuscript, or allow others to do so, for U.S. Government purposes.; U.S. Department of Energy Disclaimer.; This information was prepared as an account of work sponsored by an agency of the U.S. Government. 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. The views and opinions of authors expressed herein do not necessarily state or reflect those of the U.S. Government or any agency thereof. NR 49 TC 0 Z9 0 U1 3 U2 5 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 AUG 1 PY 2016 VL 476 BP 270 EP 292 DI 10.1016/j.jnucmat.2016.04.048 PG 23 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA DN8CW UT WOS:000377307800031 ER PT J AU Liu, Q Hsiao, YC Ahmadi, M Wu, T Liu, L Haacke, S Wang, H Hu, B AF Liu, Qing Hsiao, Yu-Che Ahmadi, Mahshid Wu, Ting Liu, Li Haacke, Stefan Wang, Hsin Hu, Bin TI N and p-type properties in organo-metal halide perovskites studied by Seebeck effects SO ORGANIC ELECTRONICS LA English DT Article DE Organo-metal halide perovskite; Seebeck effect; n-Type property; p-Type property; Polarization effect ID HETEROJUNCTION SOLAR-CELLS; LEAD IODIDE PEROVSKITE; THIN-FILM DEVICES; SURFACE POLARIZATION; HIGH-PERFORMANCE; CHLORIDE; RECOMBINATION; CH3NH3PBI3; TRANSPORT; ABSORBER AB Organo-metal halide perovskites can exhibit co-existed electrical polarizations and semiconducting properties respectively from organic and inorganic components. Here, we find that the Seebeck coefficient can be changed between positive and negative values when the concentration of chloride ions is varied between single-halide (CH3NH3PbI3) and mixed-halide structures (CH3NH3PbIxCl3-x). This indicates that varying the concentration of chloride ions can tune the semiconducting properties between the n-type and p-type regimes in the organo-metal halide perovskites. Our temperature-dependent capacitance measurement shows that increasing temperature can cause a change on internal electrical polarization. As a result, we can propose that the internal polarization functions as the underlying mechanism responsible for large temperature-dependent Seebeck coefficients in organo-metal halide perovskites operating between n-type and p-type regimes. (C) 2016 Elsevier B.V. All rights reserved. C1 [Liu, Qing; Hsiao, Yu-Che; Ahmadi, Mahshid; Wu, Ting; Hu, Bin] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Liu, Li; Haacke, Stefan] Univ Strasbourg, Inst Phys & Chim Mat Strasbourg, CNRS, F-67034 Strasbourg 2, France. [Wang, Hsin] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hu, B (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM bhu@utk.edu RI Haacke, Stefan/B-5554-2013; OI Haacke, Stefan/0000-0002-6969-4667; LIU, Li/0000-0002-2327-435X FU Air Force Office of Scientific Research (AFOSR) [FA 9550-15-1-0064]; National Science Foundation [CBET-1438181]; Sustainable Energy Education and Research Center; Center for Materials Processing at the University of Tennessee; Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy [CNMS2012-106, CNMS2012-107, CNMS-2012-108]; National Significant Program [2014CB643506, 2013CB922104]; NSFC Program in China [61475051] FX This research was supported by the financial supports from Air Force Office of Scientific Research (AFOSR) (FA 9550-15-1-0064) and National Science Foundation (CBET-1438181). The authors also acknowledge the support from Sustainable Energy Education and Research Center and Center for Materials Processing at the University of Tennessee. This research was partially conducted at the Center for Nanophase Materials Sciences based on user project (CNMS2012-106, CNMS2012-107, CNMS-2012-108), which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. The authors also acknowledge the supports from the National Significant Program (2014CB643506, 2013CB922104) and NSFC Program (61475051) in China. NR 42 TC 0 Z9 0 U1 19 U2 90 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 AUG PY 2016 VL 35 BP 216 EP 220 DI 10.1016/j.orgel.2016.05.025 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA DN9OT UT WOS:000377409800030 ER PT J AU Tian, YY Tian, Y Huang, P Wang, L Shi, QF Cui, CE AF Tian, Yuanyuan Tian, Yue Huang, Ping Wang, Lei Shi, Qiufeng Cui, Cai'e TI Effect of Yb3+ concentration on upconversion luminescence and temperature sensing behavior in Yb3+/Er3+ co-doped YNbO4 nanoparticles prepared via molten salt route SO CHEMICAL ENGINEERING JOURNAL LA English DT Article DE Molten salt synthesis; Nanoparticles; Upconversion; Temperature sensing ID SOL-GEL PROCESS; NANOCRYSTALLINE PHOSPHORS; FLUOROTELLURITE GLASS; THERMAL SENSITIVITY; CRYSTAL-STRUCTURE; ER3+; THERMOMETRY; EMISSION; GREEN; SIZE AB Yb3+/Er3+ co-doped YNbO4 nanoparticles (NPs) with an average size of 35 nm were prepared via modified molten salt method for the first time. The phase purity, crystal structure, morphologies, and upconversion luminescence (UCL) properties as well as quantum yield and temperature sensing behavior of the as prepared samples were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM) and upconversion luminescence (UCL) spectra, respectively. The XRD Rietveld refinements based on the XRD data were employed to reveal the phase purity and structure of the as-prepared samples. It was confirmed that the optimal doping concentration of Yb3+ ions in YNbO4:Yb3+, Er3+ NPs is around 10 mol%, which has a maximal quantum yield of 0.1%. The temperature sensing behavior of the as-prepared YNbO4:Yb3+, Er3+ NPs was studied based on the fluorescent intensity ratio (FIR) technique from two thermal coupled H-2(11/2) and S-4(3/2) levels. It was found that the temperature sensitivity was sensitive to the doping concentration of Yb3+ ions. In addition, the dependence of UCL colors on temperature was observed and the corresponding mechanism was proposed. Therefore, the as-prepared Yb3+/Er3+ co-doped YNbO4 NPs have double function of optical thermometer and safety sign for the high temperature environment. (C) 2016 Elsevier B.V. All rights reserved. C1 [Tian, Yuanyuan; Tian, Yue; Huang, Ping; Wang, Lei; Shi, Qiufeng; Cui, Cai'e] Taiyuan Univ Technol, Coll Phys & Optoelect, Minist Educ, Key Lab Adv Transducers & Intelligent Control Sys, Taiyuan 030024, Peoples R China. [Tian, Yue] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. RP Tian, Y; Cui, CE (reprint author), Taiyuan Univ Technol, Coll Phys & Optoelect, Minist Educ, Key Lab Adv Transducers & Intelligent Control Sys, Taiyuan 030024, Peoples R China. EM tianyue@tyut.edu.cn; tytgcejy@sina.com FU National Natural Science Foundation of China (NSFC) [51302182]; National High Technology Research and Development Program ("863" Program) of China [2015AA016901]; Qualified Personnel Foundation of Taiyuan University of Technology (QPFT) [tyut-rc201361a]; Natural Science Foundation of Shanxi Province [2013021004-2, 2014011017-3]; Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi FX This work was partially supported by National Natural Science Foundation of China (NSFC, 51302182), The National High Technology Research and Development Program ("863" Program) of China (2015AA016901), The Qualified Personnel Foundation of Taiyuan University of Technology (QPFT) (No: tyut-rc201361a), The Natural Science Foundation of Shanxi Province (2013021004-2, 2014011017-3) and The Program for the Outstanding Innovative Teams of Higher Learning Institutions of Shanxi. We thanked Prof. Yanmin Yang at Hebei University (Baoding, China) for the UC quantum yield measurements. NR 48 TC 10 Z9 10 U1 29 U2 67 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1385-8947 EI 1873-3212 J9 CHEM ENG J JI Chem. Eng. J. PD AUG 1 PY 2016 VL 297 BP 26 EP 34 DI 10.1016/j.cej.2016.03.149 PG 9 WC Engineering, Environmental; Engineering, Chemical SC Engineering GA DM9TP UT WOS:000376708900004 ER PT J AU Sollmann, R White, AM Tarbill, GL Manley, PN Knapp, EE AF Sollmann, R. White, A. M. Tarbill, G. L. Manley, P. N. Knapp, E. E. TI Landscape heterogeneity compensates for fuel reduction treatment effects on Northern flying squirrel populations SO FOREST ECOLOGY AND MANAGEMENT LA English DT Article DE Glaucomys sabrinus; Variable thinning; Even thinning; Prescribed burn; Distribution; Sierra Nevada ID MIXED-CONIFER FORESTS; DOUGLAS-FIR FORESTS; GLAUCOMYS-SABRINUS; CAPTURE-RECAPTURE; WESTERN OREGON; SIERRA-NEVADA; UNITED-STATES; HABITAT USE; STANDS; CONSERVATION AB In the dry forests of the western United States frequent fires historically maintained a diversity of habitats in multiple seral stages. Over the past century, fire suppression and preferential harvest of large trees has led to a densification and homogenization of forests, making them more prone to larger and more severe wildfires. In response, fuel reduction treatments have become common practice in the management of dry western forests. However, the effect of fuel reduction treatments on late seral forest species, such as the Northern flying squirrels, remains a management concern. We captured and marked Northern flying squirrels within mixed conifer forest in the Stanislaus-Tuolumne Experimental Forest (California) on a continuous trapping grid (4400 traps) spanning a 120-ha study landscape in which 24 4-ha units were subject to different fuel reduction treatments (variable thin, even thin, and control, all with or without prescribed burning). The study spanned two pre-thinning and three post-thinning years. We divided the study landscape into three blocks (two with treatments, one control only). For each block we analyzed data with spatial capture-recapture models to estimate Northern flying squirrel density, and tested whether canopy closure before and after thinning and percent area burned were important predictors of density. Northern flying squirrel densities varied from 0.168 (SE 0.086) to 0.808 (SE 0.094) individuals/ha across blocks and years. Densities varied by year, independent of treatments. Percent area burned was not an important predictor of density. The effect of canopy closure was variable, but more consistently positive after thinning reduced overall canopy closure. When considered by treatment type, densities were highest in control and burn only units, and lowest in thinned units. Whereas thinning had negative effects on Northern flying squirrel density on the scale of a thinning treatment unit, our results suggest that these effects were largely absorbed by the heterogeneous landscape, as animals shifted their distribution into un-thinned areas without a decline in overall density. This highlights the need to incorporate the landscape context when evaluating the effects of forest management on wildlife. (C) 2016 Elsevier B.V. All rights reserved. C1 [Sollmann, R.; White, A. M.; Tarbill, G. L.] US Forest Serv, USDA, Pacific Southwest Res Stn, 1731 Res Pk Dr, Davis, CA 95618 USA. [Sollmann, R.; Tarbill, G. L.] Oak Ridge Inst Sci & Educ, 1299 Bethel Valley Rd, Oak Ridge, TN 37830 USA. [Manley, P. N.] US Forest Serv, USDA, Pacific Southwest Res Stn, 2480 Carson Rd, Placerville, CA 95667 USA. [Knapp, E. E.] US Forest Serv, USDA, Pacific Southwest Res Stn, 3644 Avtech Pkwy, Redding, CA 96002 USA. RP Sollmann, R (reprint author), Univ Calif Davis, Dept Wildlife Fish & Conservat Biol, 1088 Acad Surge,One Shields Ave, Davis, CA 95616 USA. EM rsollmann@ucdavis.edu; angelawhite@fs.fed.us; ginatarbill@fs.fed.us; pmanley@fs.fed.us; eknapp@fs.fed.us FU California Energy Commission [600-10-006]; USDA Forest Service Pacific Southwest Research Station FX This work would not have been possible without the contributions from an extensive group of collaborators and colleagues. In particular, Matthew Strussis-Timmer, Tray Biasiolli, Bob Carlson and Adam Rich were instrumental in leading field efforts and for data quality assurance. This research was made possible through the financial support of the California Energy Commission (contract number 600-10-006) and the USDA Forest Service Pacific Southwest Research Station. We further thank the Stanislaus National Forest for logistical support. The manuscript was greatly improved by the input of three anonymous reviewers. Any use of trade, product, or firm names is for descriptive purposes only and does not imply endorsement by the US Government. NR 44 TC 2 Z9 2 U1 12 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1127 EI 1872-7042 J9 FOREST ECOL MANAG JI For. Ecol. Manage. PD AUG 1 PY 2016 VL 373 BP 100 EP 107 DI 10.1016/j.foreco.2016.04.041 PG 8 WC Forestry SC Forestry GA DN1QB UT WOS:000376839400012 ER PT J AU Jolly, WM Hintz, J Linn, RL Kropp, RC Conrad, ET Parsons, RA Winterkamp, J AF Jolly, W. Matt Hintz, John Linn, Rodman L. Kropp, Rachael C. Conrad, Elliot. T. Parsons, Russell A. Winterkamp, Judith TI Seasonal variations in red pine (Pinus resinosa) and jack pine (Pinus banksiana) foliar physio-chemistry and their potential influence on stand-scale wildland fire behavior SO FOREST ECOLOGY AND MANAGEMENT LA English DT Article DE Live foliar moisture content; Spring dip; Foliar density; Flammability; Fire behavior; Fire modeling; FIRETEC ID CROWN FIRE; MOISTURE-CONTENT; FOREST; NEEDLES; FUELS; TREES AB The 'Spring Dip' in conifer live foliar moisture content (LFMC) has been well documented but the actual drivers of these variations have not been fully investigated. Here we span this knowledge gap by measuring LFMC, foliar chemistry, foliar density and foliar flammability on new and old foliage for an entire year from both Pinus resinosa (red pine) and Pinus banksiana (jack pine) at a site in Central Wisconsin. We found that needle dry mass increased by up to 70% in just three weeks and these increases were manifested as strong seasonal variations in foliar moisture content and foliar density. These needle dry mass changes were driven by an accumulation of starch in old foliage, likely resulting from springtime photosynthesis onset, and also by accumulations of sugar and crude fat in new needles as they fully matured. Foliar starch, sugar and crude fat content accounted for 84% of the variation in foliar density across both species. Flammability differences were also strongly related to changes in foliar density, where density accounted for 39% and 25% of the variations in foliar time-to-ignition of jack pine and red pine respectively. Finally, we use the computational fluid dynamics-based wildland fire model FIRETEC to examine how these foliar physio-chemical changes may influence wildland fire behavior. Under the lowest canopy density and windspeed, simulated fires in dormant condition stands did not propagate as crown fires while spring dip stands successfully spread as crown fires as a result of the higher potential energy content of the canopy. Simulated wildland fire spread rates increased by as much as 63%, nominal fireline width increased by as much as 89% and active fire area more than doubled relative to dormant season fuel conditions and the most significant changes occurred in areas with low canopy cover and low within-tree bulk density. Our results challenge the assumption that live conifer foliage flammability is limited only by its water content; this study suggests a new theory and an expanded view of the factors that dominate live fuel flammability and that subsequently influence larger scale wildland fire behavior. Published by Elsevier B.V. C1 [Jolly, W. Matt; Kropp, Rachael C.; Conrad, Elliot. T.; Parsons, Russell A.] US Forest Serv, USDA, RMRS, Fire Sci Lab, 5775 Hwy 10 W, Missoula, MT 59808 USA. [Hintz, John] Wisconsin Dept Nat Resources, 473 Griffith Ave, Wisconsin Rapids, WI 54494 USA. [Linn, Rodman L.; Winterkamp, Judith] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. RP Jolly, WM (reprint author), US Forest Serv, USDA, RMRS, Fire Sci Lab, 5775 Hwy 10 W, Missoula, MT 59808 USA. EM mjolly@fs.fed.us; John.Hintz@wisconsin.gov; rrl@lanl.gov; rachaelckropp@fs.fed.us; eliotttconrad@fs.fed.us; rparsons@fs.fed.us; judyw@lanl.gov FU Joint Fire Science Program of the U.S. Department of Agriculture (USDA); U.S. Department of the Interior (USDI) Projects [12-1-03-30]; USDA Forest Service's Rocky Mountain Research Station (RMRS) FX This work was made possible by funding from the Joint Fire Science Program of the U.S. Department of Agriculture (USDA) and U.S. Department of the Interior (USDI) Projects (12-1-03-30), as well as by the USDA Forest Service's Rocky Mountain Research Station (RMRS). Los Alamos National Laboratory's Institutional Computing Program provided computational resources to perform the FIRETEC simulations for this work. NR 37 TC 1 Z9 1 U1 5 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-1127 EI 1872-7042 J9 FOREST ECOL MANAG JI For. Ecol. Manage. PD AUG 1 PY 2016 VL 373 BP 167 EP 178 DI 10.1016/j.foreco.2016.04.005 PG 12 WC Forestry SC Forestry GA DN1QB UT WOS:000376839400018 ER PT J AU Zhang, LM Zhuang, QL He, YJ Liu, YL Yu, DS Zhao, QY Shi, XZ Xing, SH Wang, GX AF Zhang, Liming Zhuang, Qianlai He, Yujie Liu, Yaling Yu, Dongsheng Zhao, Quanying Shi, Xuezheng Xing, Shihe Wang, Guangxiang TI Toward optimal soil organic carbon sequestration with effects of agricultural management practices and climate change in Tai-Lake paddy soils of China SO GEODERMA LA English DT Article DE Soil organic carbon; Climate change; Agricultural management practices; DeNitrification-DeComposition (DNDC); 1:50,000 soil database ID GREENHOUSE-GAS EMISSIONS; LAST 2 DECADES; NORTH CHINA; DNDC MODEL; NO-TILLAGE; DIFFERENT FERTILIZATION; CROPPING SYSTEM; MAINLAND CHINA; N2O EMISSIONS; SOUTH CHINA AB Understanding the impacts of climate change and agricultural management practices on soil organic carbon (SOC) dynamics is critical for implementing optimal farming practices and maintaining agricultural productivity. This study examines the influence of climatic variables and agricultural management on carbon sequestration potentials in Tai-Lake Paddy soils of China using the DeNitrification-DeComposition (DNDC, version 9.1) model, with a high-resolution soil database (1:50,000). Model simulations considered the effects of no-tillage, the application rates of manure, N fertilization, and crop residue, water management, and changes in temperature and precipitation. We found that the carbon sequestration potential in the top soils (0-30 cm) for the 2.32 Mha paddy soils of the Tai-Lake region varied from 4.71 to 44.31 Tg C under the feasible management practices during the period of 2001-2019. The sequestration potential significantly increased with increasing application of N-fertilizer, manure, conservation tillage, and crop residues, with an annual average SOC changes ranged from 107 to 121 kg C ha(-1) yr(-1), 159 to 326 kg C ha(-1) yr(-1), 78 to 128 kg C ha(-1) yr(-1), and 489 to 1005 kg C ha(-1) yr(-1), respectively. Toward mitigating greenhouse emissions and N losses, no-tillage and increase of crop residue return to soils as well as manure application are recommended for agricultural practice in this region. Our analysis of climate impacts on SOC sequestration suggests that the rice paddies in this region will continue to be a carbon sink under future warming conditions. Specifically, with rising air temperature of 2.0 degrees C and 4 degrees C, the average annual SOC changes were 52 and 21 kg C ha(-1) yr(-1), respectively. (C) 2016 Elsevier B.V. All rights reserved. C1 [Zhang, Liming; Xing, Shihe; Wang, Guangxiang] Fujian Agr & Forestry Univ, Coll Resources & Environm, Fuzhou 350002, Fujian Province, Peoples R China. [Zhang, Liming; Yu, Dongsheng; Shi, Xuezheng] Chinese Acad Sci, State Key Lab Soil & Sustainable Agr, Inst Soil Sci, Nanjing 210008, Jiangsu, Peoples R China. [Zhang, Liming; Zhuang, Qianlai; He, Yujie] Purdue Univ, Dept Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. [Liu, Yaling] Pacific NW Natl Lab, Joint Global Change Res Inst, Univ Res Court, College Pk, MD USA. [Zhao, Quanying] Univ Cologne, Inst Geog, D-50923 Cologne, Germany. RP Yu, DS (reprint author), Chinese Acad Sci, State Key Lab Soil & Sustainable Agr, Inst Soil Sci, Nanjing 210008, Jiangsu, Peoples R China.; Zhao, QY (reprint author), Univ Cologne, Inst Geog, D-50923 Cologne, Germany. EM dshyu@issas.ac.cn; zhaoquanying@gmail.com RI He, Yujie/E-2514-2017 OI He, Yujie/0000-0001-8261-5399 FU Foundation of National Natural Science Foundation of China [41001126]; Natural Science Foundation of Fujian Province in China [2015J01154]; Program for New Century Excellent Talents in University of Fujian Province of China [JA14097]; NSF Division of Information and Intelligent Systems [NSF-1028291] FX We gratefully acknowledge the support from the Foundation of National Natural Science Foundation of China (No. 41001126), the Natural Science Foundation of Fujian Province in China (No. 2015J01154), and the Program for New Century Excellent Talents in University of Fujian Province of China (No. JA14097). This study is also partially supported through a project funded to Q. Z. by the NSF Division of Information and Intelligent Systems (NSF-1028291). Sincere thanks are also given to Professor Changsheng Li (University of New Hampshire, USA) for valuable advice on use of DNDC model, and this work is to honor his dedication to the science community during his fruitful life time. NR 93 TC 0 Z9 0 U1 17 U2 44 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0016-7061 EI 1872-6259 J9 GEODERMA JI Geoderma PD AUG 1 PY 2016 VL 275 BP 28 EP 39 DI 10.1016/j.geoderma.2016.04.001 PG 12 WC Soil Science SC Agriculture GA DN1MY UT WOS:000376831300004 ER PT J AU Ling, J Jones, R Templeton, J AF Ling, Julia Jones, Reese Templeton, Jeremy TI Machine learning strategies for systems with invariance properties SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Machine learning; Turbulence models; Constitutive models; Tensor invariants ID DIGITAL VOLUME CORRELATION; ARTIFICIAL NEURAL-NETWORK; CONSTITUTIVE MODEL; HYPERELASTIC MATERIAL; TURBULENCE; FLOW AB In many scientific fields, empirical models are employed to facilitate computational simulations of engineering systems. For example, in fluid mechanics, empirical Reynolds stress closures enable computationally-efficient Reynolds Averaged Navier Stokes simulations. Likewise, in solid mechanics, constitutive relations between the stress and strain in a material are required in deformation analysis. Traditional methods for developing and tuning empirical models usually combine physical intuition with simple regression techniques on limited data sets. The rise of high performance computing has led to a growing availability of high fidelity simulation data. These data open up the possibility of using machine learning algorithms, such as random forests or neural networks, to develop more accurate and general empirical models. A key question when using data-driven algorithms to develop these empirical models is how domain knowledge should be incorporated into the machine learning process. This paper will specifically address physical systems that possess symmetry or invariance properties. Two different methods for teaching a machine learning model an invariance property are compared. In the first method, a basis of invariant inputs is constructed, and the machine learning model is trained upon this basis, thereby embedding the invariance into the model. In the second method, the algorithm is trained on multiple transformations of the raw input data until the model learns invariance to that transformation. Results are discussed for two case studies: one in turbulence modeling and one in crystal elasticity. It is shown that in both cases embedding the invariance property into the input features yields higher performance at significantly reduced computational training costs. (C) 2016 Elsevier Inc. All rights reserved. C1 [Ling, Julia; Jones, Reese; Templeton, Jeremy] Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. RP Ling, J (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. EM jling@sandia.gov FU Sandia National Laboratories LDRD program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000. SAND2016-0249 J] FX The authors wish to thank J. Ostein and K. Matulef for valuable comments on a draft of this paper. Funding for this work was provided by the Sandia National Laboratories LDRD program, and its support is gratefully acknowledged. 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. SAND2016-0249 J. NR 64 TC 3 Z9 3 U1 12 U2 21 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD AUG 1 PY 2016 VL 318 BP 22 EP 35 DI 10.1016/j.jcp.2016.05.003 PG 14 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DN4NF UT WOS:000377043400002 ER PT J AU Germaschewski, K Fox, W Abbott, S Ahmadi, N Maynard, K Wang, L Ruhl, H Bhattacharjee, A AF Germaschewski, Kai Fox, William Abbott, Stephen Ahmadi, Narges Maynard, Kristofor Wang, Liang Ruhl, Hartmut Bhattacharjee, Amitava TI The Plasma Simulation Code: A modern particle-in-cell code with patch-based load-balancing SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Particle-in-cell; Kinetic; Plasma; Load balancing ID CHARGE CONSERVATION; COLLISION MODEL; ACCELERATION; RECONNECTION; ALGORITHMS; FIELDS; SCHEME AB This work describes the Plasma Simulation Code (PSC), an explicit, electromagnetic particle-in-cell code with support for different order particle shape functions. We review the basic components of the particle-in-cell method as well as the computational architecture of the PSC code that allows support for modular algorithms and data structure in the code. We then describe and analyze in detail a distinguishing feature of PSC: patch-based load balancing using space-filling curves which is shown to lead to major efficiency gains over unbalanced methods and a previously used simpler balancing method. (C) 2016 Elsevier Inc. All rights reserved. C1 [Germaschewski, Kai; Ahmadi, Narges; Maynard, Kristofor; Wang, Liang] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. [Germaschewski, Kai; Ahmadi, Narges; Maynard, Kristofor; Wang, Liang] Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. [Ruhl, Hartmut] Univ Munich, Fac Phys, Munich, Germany. [Fox, William; Bhattacharjee, Amitava] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Abbott, Stephen] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Germaschewski, K (reprint author), Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA.; Germaschewski, K (reprint author), Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. EM kai.germaschewski@unh.edu; wfox@pppl.gov; abbottsr@ornl.gov; narges.ahmadi@unh.edu; k.maynard@unh.edu; liang.wang@unh.edu; hartmut.ruhl@uni-muenchen.de; amitava@princeton.edu OI Germaschewski, Kai/0000-0002-8495-6354 FU DOE [DE-SC0006670, DE-FG02-07ER46372]; NSF [AGS-105689]; NASA [NNX13AK31G]; NSF's MRI program [PHY-1229408]; DOE Office of Science [DE-AC05-00OR22725] FX This research was supported by DOE grants DE-SC0006670 and DE-FG02-07ER46372, NSF grant AGS-105689 and NASA grant NNX13AK31G.; Computational work has been performed on DOE's Titan machine at ORNL and NERSC systems, and the Cray XE6m Trillian at the University of New Hampshire, funded with support from NSF's MRI program under PHY-1229408. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725. NR 53 TC 3 Z9 3 U1 5 U2 14 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD AUG 1 PY 2016 VL 318 BP 305 EP 326 DI 10.1016/j.jcp.2016.05.013 PG 22 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DN4NF UT WOS:000377043400014 ER PT J AU Taitano, WT Chacon, L Simakov, AN AF Taitano, W. T. Chacon, L. Simakov, A. N. TI An adaptive, conservative 0D-2V multispecies Rosenbluth-Fokker-Planck solver for arbitrarily disparate mass and temperature regimes SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE Conservative discretization; Thermal velocity based adaptive grid; Fokker-Planck; Rosenbluth potentials; Asymptotics ID ANISOTROPIC DIFFUSION; EQUATION; SIMULATIONS; TRANSPORT; ALGORITHM; FUSION; PLASMA AB In this study, we propose an adaptive velocity-space discretization scheme for the multispecies, multidimensional Rosenbluth-Fokker-Planck (RFP) equation, which is exactly mass-, momentum-, and energy-conserving. Unlike most earlier studies, our approach normalizes the velocity-space coordinate to the temporally varying individual plasma species' local thermal velocity, v(th)(t), and explicitly considers the resulting inertial terms in the Fokker-Planck equation. Our conservation strategy employs nonlinear constraints to enforce discretely the conservation properties of these inertial terms and the Fokker-Planck collision operator. To deal with situations of extreme thermal velocity disparities among different species, we employ an asymptotic vth-ratio-based expansion of the Rosenbluth potentials that only requires the computation of several velocity-space integrals. Numerical examples demonstrate the favorable efficiency and accuracy properties of the scheme. In particular, we show that the combined use of the velocity-grid adaptivity and asymptotic expansions delivers many orders-of-magnitude savings in mesh resolution requirements compared to a single, static uniform mesh. (C) 2016 Elsevier Inc. All rights reserved. C1 [Taitano, W. T.; Chacon, L.; Simakov, A. N.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RP Taitano, WT (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM taitano@lanl.gov OI Taitano, William/0000-0002-2369-0935; Simakov, Andrei/0000-0001-7064-9153; Chacon, Luis/0000-0002-4566-8763 FU Metropolis Postdoctoral Fellowship; Thermonuclear Burn Initiative of the Advanced Simulation and Computing Program at Los Alamos National Laboratory; National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We would like to acknowledge the anonymous referees whose comments helped improve the quality of the paper. This work was sponsored by the Metropolis Postdoctoral Fellowship and Thermonuclear Burn Initiative of the Advanced Simulation and Computing Program at Los Alamos National Laboratory. This work was performed under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory, managed by LANS, LLC under contract DE-AC52-06NA25396. NR 25 TC 2 Z9 2 U1 1 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD AUG 1 PY 2016 VL 318 BP 391 EP 420 DI 10.1016/j.jcp.2016.03.071 PG 30 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA DN4NF UT WOS:000377043400018 ER PT J AU Roecker, C Bernstein, A Bowden, NS Cabrera-Palmer, B Dazeley, S Gerling, M Marleau, P Sweany, MD Vetter, K AF Roecker, C. Bernstein, A. Bowden, N. S. Cabrera-Palmer, B. Dazeley, S. Gerling, M. Marleau, P. Sweany, M. D. Vetter, K. TI Design of a transportable high efficiency fast neutron spectrometer SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Fast neutron spectroscopy; Neutron multiplicity; Capture-gating ID MUONS AB A transportable fast neutron detection system has been designed and constructed for measuring neutron energy spectra and flux ranging from tens to hundreds of MeV. The transportability of the spectrometer reduces the detector-related systematic bias between different neutron spectra and flux measurements, which allows for the comparison of measurements above or below ground. The spectrometer will measure neutron fluxes that are of prohibitively low intensity compared to the site-specific background rates targeted by other transportable fast neutron detection systems. To measure low intensity high-energy neutron fluxes, a conventional capture-gating technique is used for measuring neutron energies above 20 MeV and a novel multiplicity technique is used for measuring neutron energies above 100 MeV. The spectrometer is composed of two Gd containing plastic scintillator detectors arranged around a lead spallation target. To calibrate and characterize the position dependent response of the spectrometer, a Monte Carlo model was developed and used in conjunction with experimental data from gamma ray sources. Multiplicity event identification algorithms were developed and used with a Cf-252 neutron multiplicity source to validate the Monte Carlo model Gd concentration and secondary neutron capture efficiency. The validated Monte Carlo model was used to predict an effective area for the multiplicity and capture gating analyses. For incident neutron energies between 100 MeV and 1000 MeV with an isotropic angular distribution, the multiplicity analysis predicted an effective area of 500 cm(2) rising to 5000 cm(2). For neutron energies above 20 MeV, the capture gating analysis predicted an effective area between 1800 cm(2) and 2500 cm(2). The multiplicity mode was found to be sensitive to the incident neutron angular distribution. (C) 2016 Elsevier B.V. All rights reserved. C1 [Roecker, C.; Vetter, K.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Bernstein, A.; Bowden, N. S.; Dazeley, S.] Lawrence Livermore Natl Lab, Nucl & Chem Sci Div, Livermore, CA 94550 USA. [Cabrera-Palmer, B.; Gerling, M.; Marleau, P.; Sweany, M. D.] Sandia Natl Labs, Radiat & Nucl Detect Syst, Livermore, CA 94550 USA. [Vetter, K.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Roecker, C (reprint author), Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. EM calebroecker@berkeley.edu FU Department of Energy National Nuclear Security Administration under Nuclear Science and Security Consortium [DE-NA0000979]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC5-07NA27344, LLNL-JRNL-677776]; U.S. Department of Energys National Nuclear Security Administration [DE-AC04-94AL85000] FX This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award no. DE-NA0000979 through the Nuclear Science and Security Consortium.; This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC5-07NA27344. LLNL-JRNL-677776.; 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 Energys National Nuclear Security Administration under Contract DE-AC04-94AL85000. Not approved for unlimited release, SAND2015-365427. NR 22 TC 1 Z9 1 U1 5 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD AUG 1 PY 2016 VL 826 BP 21 EP 30 DI 10.1016/j.nima.2016.04.032 PG 10 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DN2IK UT WOS:000376887100004 ER PT J AU Liu, YN Hussaini, MY Okten, G AF Liu, Yaning Hussaini, M. Yousuff Okten, Giray TI Accurate construction of high dimensional model representation with applications to uncertainty quantification SO RELIABILITY ENGINEERING & SYSTEM SAFETY LA English DT Article DE High dimensional model representation; Uncertainty quantification; Global sensitivity analysis; Variance reduction techniques; Fire safety; Chemical kinetics ID GLOBAL SENSITIVITY INDEXES; MONTE CARLO METHODS; VARIANCE REDUCTION; RS-HDMR; OUTPUT AB Surrogate modeling is a popular and practical method to meet the needs of a large number of queries of computationally demanding models in the analysis of uncertainty, sensitivity and system reliability. We explore various methods that can improve the accuracy of a particular class of surrogate models, the high dimensional model representation (HDMR), and their performances in uncertainty quantification and variance-based global sensitivity analysis. Rigorous analysis is provided to show the equivalence of the two common types of HDMRs Cut-HDMR and random sampling-HDMR (RS-HDMR), when they are the same order of truncation. We propose using the nodes of Gauss and Clenshaw-Curtis quadratures as the interpolation points for the construction of Cut-HDMR to achieve high (spectral) accuracy for both the surrogate model and global sensitivity indices. As for RS-HDMR, randomized quasi-Monte Carlo sampling with variance reduction techniques, coupled with a procedure to select the optimal polynomial orders and prune potential noise terms, is shown to be capable of effectively enhancing the model accuracy. The efficiency of our proposed methods is demonstrated by a few analytical examples that are commonly studied for uncertainty and sensitivity analysis algorithms. Finally, we apply HDMR surrogate modeling techniques for an operational wildland fire model that is widely employed in fire prevention and safety control, and a chemical kinetics H-2/air combustion model predicting the ignition delay time, which plays an important role in studying fuel and combustion system reliability and safety. Published by Elsevier Ltd. C1 [Liu, Yaning] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci, Berkeley, CA 94720 USA. [Hussaini, M. Yousuff; Okten, Giray] Florida State Univ, Dept Math, Tallahassee, FL 32306 USA. RP Liu, YN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Earth & Environm Sci, Berkeley, CA 94720 USA. EM yaningliu@lbl.gov; yousuff@fsu.edu; okten@math.fsu.edu RI Liu, Yaning/K-8547-2014; OI Liu, Yaning/0000-0002-3447-5843 NR 51 TC 0 Z9 0 U1 5 U2 10 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0951-8320 EI 1879-0836 J9 RELIAB ENG SYST SAFE JI Reliab. Eng. Syst. Saf. PD AUG PY 2016 VL 152 BP 281 EP 295 DI 10.1016/j.ress.2016.03.021 PG 15 WC Engineering, Industrial; Operations Research & Management Science SC Engineering; Operations Research & Management Science GA DN0XB UT WOS:000376789300025 ER PT J AU Pfeffer, F Eisenlohr, J Basch, A Hermle, M Lee, BG Goldschmidt, JC AF Pfeffer, Florian Eisenlohr, Johannes Basch, Angelika Hermle, Martin Lee, Benjamin G. Goldschmidt, Jan Christoph TI Systematic analysis of diffuse rear reflectors for enhanced light trapping in silicon solar cells SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE Light trapping; Diffuse rear reflectors; Silicon solar cell; Bifacial solar cell ID BACK REFLECTORS; SPHERE GRATINGS; SIMULATION; TEXTURES; LIMIT AB Simple diffuse rear reflectors can enhance the light path length of weakly absorbed near infrared light in silicon solar cells and set a benchmark for more complex and expensive light trapping structures like dielectric gratings or plasmonic particles. We analyzed such simple diffuse rear reflectors systematically by optical and electrical measurements. We applied white paint, TiO2 nanoparticles, white backsheets and a silver mirror to bifacial silicon solar cells and measured the enhancement of the external quantum efficiency for three different solar cell geometries: planar front and rear side, textured front and planar rear side, and textured front and rear side. We showed that an air-gap between the solar cell and the reflector decreases the absorption enhancement significantly, thus white paint and TiO2 nanoparticles directly applied to the rear cell surface lead to the highest short circuit current density enhancements. The short circuit current density gains for a 200 mu m thick planar solar cell reached up to 1.8 mA/cm(2), compared to a non-reflecting black rear side and up to 0.8 mA/cm(2) compared to a high-quality silver mirror rear side. For solar cells with textured front side the short circuit current density gains are in the range between 0.5 and 1.0 mA/cm(2) compared to a non-reflecting black rear side and do not significantly depend on the angular characteristic of the rear side reflector but mainly on its absolute reflectance. (C) 2016 Elsevier B.V. All rights reserved. C1 [Pfeffer, Florian; Eisenlohr, Johannes; Basch, Angelika; Hermle, Martin; Lee, Benjamin G.; Goldschmidt, Jan Christoph] Fraunhofer Inst Solar Energy Syst ISE, Heidenhofstr 2, D-79110 Freiburg, Germany. [Pfeffer, Florian; Basch, Angelika] Univ Appl Sci, Ecoenergy Engn, Stelzhamerstr 23, A-4600 Wels, Austria. [Lee, Benjamin G.] Natl Renewable Energy Lab, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Eisenlohr, J (reprint author), Fraunhofer Inst Solar Energy Syst ISE, Heidenhofstr 2, D-79110 Freiburg, Germany. EM Johannes.Eisenlohr@ise.fraunhofer.de RI Goldschmidt, Jan Christoph/C-1807-2008 OI Goldschmidt, Jan Christoph/0000-0003-3256-1366 FU German Federal Ministry for Economic Affairs and Energy [0325292]; Deutsche Bundesstiftung Umwelt DBU FX The authors would like to thank A. Leimenstoll, F. Schatzle, S. Seitz, N. Weber, K. Zimmermann, C. Follert and especially E. Schaffer for their support with processing and measurements. This work was partially funded by the German Federal Ministry for Economic Affairs and Energy under Contract number 0325292 (ForTeS). J. Eisenlohr gratefully acknowledges scholarship support from the Deutsche Bundesstiftung Umwelt DBU. NR 28 TC 0 Z9 0 U1 12 U2 25 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 EI 1879-3398 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD AUG PY 2016 VL 152 BP 80 EP 86 DI 10.1016/j.solmat.2016.03.028 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA DN1CY UT WOS:000376805100010 ER PT J AU An, SJ Li, JL Daniel, C Mohanty, D Nagpure, S Wood, DL AF An, Seong Jin Li, Jianlin Daniel, Claus Mohanty, Debasish Nagpure, Shrikant Wood, David L., III TI The state of understanding of the lithium-ion-battery graphite solid electrolyte interphase (SEI) and its relationship to formation cycling SO CARBON LA English DT Review ID CARBONATE-BASED ELECTROLYTES; SURFACE-FILM FORMATION; COMMON NATURAL GRAPHITE; ATOMIC-FORCE MICROSCOPY; HIGH-PERFORMANCE ANODE; NITROGEN-DOPED CARBON; X-RAY-DIFFRACTION; LI-ION; NEGATIVE ELECTRODE; PROPYLENE CARBONATE AB An in-depth historical and current review is presented on the science of lithium-ion battery (LIB) solid electrolyte interphase (SEI) formation on the graphite anode, including structure, morphology, composition, electrochemistry, and formation mechanism. During initial LIB operation, the SEI layer forms on the graphite surfaces, the most common anode material. The SEI is essential to the long-term performance of LIBs, and it also has an impact on its initial capacity loss, self-discharge characteristics, rate capability, and safety. While the presence of the anode SEI is vital, it is difficult to control its formation and growth, as they depend on several factors. These factors include the type of graphite, electrolyte composition, electrochemical conditions, and temperature. Thus, SEI formation and electrochemical stability over long-term operation should be a primary topic of future investigation in the LIB development. This article covers the progression of knowledge regarding the SEI, from its discovery in 1979 to the current state of understanding, and covers differences in the chemical and structural makeup when cell materials and components are varied. It also discusses the relationship of the SEI layer to the LIB formation step, involving both electrolyte wetting and subsequent slow charge-discharge cycles to grow the SEI. (C) 2016 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). C1 [An, Seong Jin; Li, Jianlin; Daniel, Claus; Mohanty, Debasish; Nagpure, Shrikant; Wood, David L., III] Oak Ridge Natl Lab, Energy & Transportat Sci Div, One Bethel Valley Rd,POB 2008, Oak Ridge, TN 37831 USA. [An, Seong Jin; Daniel, Claus; Wood, David L., III] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, 418 Greve Hall,821 Volunteer Blvd, Knoxville, TN 37996 USA. RP Wood, DL (reprint author), Oak Ridge Natl Lab, Energy & Transportat Sci Div, NTRC 2,2370 Cherahala Blvd, Knoxville, TN 37932 USA. EM wooddl@ornl.gov RI Daniel, Claus/A-2060-2008; OI Daniel, Claus/0000-0002-0571-6054; Wood, David/0000-0002-2471-4214; Li, Jianlin/0000-0002-8710-9847; An, Seong Jin/0000-0001-7981-4418 FU Office of Energy Efficiency and Renewable Energy (EERE) Vehicle Technologies Office (VTO) [DE-AC05-00OR22725] FX This research at Oak Ridge National Laboratory, managed by UT Battelle, LLC, for the U.S. Department of Energy (DOE) under contract DE-AC05-00OR22725, was sponsored by the Office of Energy Efficiency and Renewable Energy (EERE) Vehicle Technologies Office (VTO) (Acting Program Director: David Howell) Applied Battery Research subprogram (Program Manager: Peter Faguy). NR 259 TC 12 Z9 12 U1 112 U2 342 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD AUG PY 2016 VL 105 BP 52 EP 76 DI 10.1016/j.carbon.2016.04.008 PG 25 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA DM8JB UT WOS:000376607200007 ER PT J AU Goetz, SA Nguyen, DT Esser-Kahn, AP AF Goetz, Samantha A. Nguyen, Du T. Esser-Kahn, Aaron P. TI Surface modification of carbon black nanoparticles enhances photothermal separation and release of CO2 SO CARBON LA English DT Article ID VAPOR GENERATION; GOLD NANOPARTICLES; GRAPHENE; OXYGEN; SPECTROSCOPY; PERFORMANCE; FILMS; HEAT AB Carbon black nanoparticles (CB) were covalently modified to improve the photothermal regeneration of a CO2 capture nanofluid through decarboxylation. The photothermal release of CO2 addresses high energy costs associated with regenerating capture fluids. By incorporating sulfonamides on the surface of CB, we enhance the photothermal separation of CO2 from MEA by approximately 70% more than the unmodified CB. In contrast, with an anionic sulfonate on the surface, the total CO2 released fell by approximately 60%. We verified the chemical composition and structure of surface modification using complementary techniques including FT-IR, TGA, XPS, and Raman spectroscopy. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Goetz, Samantha A.; Esser-Kahn, Aaron P.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Nguyen, Du T.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Nguyen, Du T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Esser-Kahn, AP (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. EM aesserka@uci.edu FU AFOSR [FA9550-12-1-0352]; 3M Non-Tenured Faculty Award; ACS-PRF Doctoral New Investigator Award; Department for Education through the Graduate Assistance in Areas of National Need (GAANN) fellowship; Department of Defense through the National Defense Science & Engineering Graduate Fellowship (NDSEG) program; National Science Foundation Major Research Instrumentation Program [CHE-1338173] FX Professor Esser-Kahn was supported by the AFOSR Young Investigator Program under FA9550-12-1-0352, a 3M Non-Tenured Faculty Award, and an ACS-PRF Doctoral New Investigator Award. S Goetz was supported by the Department for Education through the Graduate Assistance in Areas of National Need (GAANN) fellowship. D Nguyen was supported by the Department of Defense through the National Defense Science & Engineering Graduate Fellowship (NDSEG) program. N115 carbon black was generously supplied by the Cabot Corporation. XPS work was performed at the UC Irvine Materials Research Institute (IMRI) using instrumentation funded in part by the National Science Foundation Major Research Instrumentation Program under grant no. CHE-1338173. NR 32 TC 0 Z9 0 U1 14 U2 42 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD AUG PY 2016 VL 105 BP 126 EP 135 DI 10.1016/j.carbon.2016.03.053 PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA DM8JB UT WOS:000376607200013 ER PT J AU Yeh, YW Raitses, Y Yao, N AF Yeh, Yao-Wen Raitses, Yevgeny Yao, Nan TI Structural variations of the cathode deposit in the carbon arc SO CARBON LA English DT Article ID DISCHARGE METHOD; GROWTH; NANOMATERIALS; MECHANISMS; PLASMA AB Synthesis of various carbon nanostructures, including fullerenes, single-walled and multi-walled nanotubes and nanoparticles, by arc discharges relies on ablation of the graphite anode and deposition of synthesized carbonaceous products on the cathode surface and on the reactor chamber walls. For backbone all-carbon system, the cathode deposit plays a critical role in sustaining the arc discharge and thereby, the synthesis processes. This deposit usually exhibits spatially distinct structural variations with three different axially symmetrical morphologies. In particular, a rim of pyrolytic carbon separates the innermost core consisting of multi-walled carbon nanotubes from the outmost ring with powdery amorphous carbon soot. Experiments revealed a strong correlation between the current conducting arc attachment to the cathode deposit and the nanotube forming area in the deposit. Results suggest that particle and heat fluxes from the plasma are responsible for purity of nanotubes in this deposit core area. It appears that a better synthesis selectivity can be obtained in low ablation regime which is characterized by a nearly constant arc current density independent on the anode diameter. (C) 2016 Elsevier Ltd. All rights reserved. C1 [Yeh, Yao-Wen; Raitses, Yevgeny] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Yeh, Yao-Wen; Yao, Nan] Princeton Univ, Princeton Inst Sci & Technol Mat, Princeton, NJ 08544 USA. RP Yeh, YW (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM yyeh@princeton.edu OI Yeh, Yao-Wen/0000-0003-2483-7502 FU U.S. Department of Energy, Office of Science, Basic Sciences, Materials Sciences and Engineering Division; National Science Foundation-MRSEC program through the Princeton Center for Complex Materials [DMR-0819860] FX The authors wish to thank Mr. Jonathan Ng and Mr. James Mitrani, Dr. Sophia Gershman, and Prof. Bruce Koel for fruitful discussions. We also thank Mr. Alex Merzheskiy for his technical support of this work. This work was supported by U.S. Department of Energy, Office of Science, Basic Sciences, Materials Sciences and Engineering Division and the National Science Foundation-MRSEC program through the Princeton Center for Complex Materials (DMR-0819860). NR 20 TC 4 Z9 4 U1 5 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 EI 1873-3891 J9 CARBON JI Carbon PD AUG PY 2016 VL 105 BP 490 EP 495 DI 10.1016/j.carbon.2016.04.074 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA DM8JB UT WOS:000376607200057 ER PT J AU Klaver, TPC del Rio, E Bonny, G Eich, SM Caro, A AF Klaver, T. P. C. del Rio, E. Bonny, G. Eich, S. M. Caro, A. TI Inconsistencies in modelling interstitials in FeCr with empirical potentials SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE FeCr; Atomistic simulation; Empirical potentials; Interstitials; Point defects; Benchmarking ID IRON-CHROMIUM ALLOYS; CR ALLOYS; MOLECULAR-DYNAMICS; AB-INITIO; DISPLACEMENT CASCADES; CLUSTERS; DIFFUSION; METALS; ATOMS AB We present empirical potential and Density Functional Theory results of interstitials in FeCr and pure Cr. Results show that potentials for the original and revised two-band model, a recently introduced third two-band model, and for the revised concentration-dependent model produce errors of up to multiple eV in formation and binding energies for Fe-containing interstitials in pure Cr. Fe-interstitial binding in Cr is much stronger than Cr-interstitial binding in Fe according to Density Functional Theory, but all four potentials still strongly overestimate the binding strength. At the Fe-rich end errors in empirical potentials are smaller and most of the errors are not a linear extrapolation in concentration of the larger errors in pure Cr. Interstitial formation energies in Fe-rich FeCr are underestimated by all four empirical potentials, but much less so than in pure Cr. In Fe-rich FeCr the revised concentration-dependent model produces Cr-interstitial binding energies quite similar to Density Functional Theory values, while all three two-band models show almost no binding or repulsion. (C) 2016 Elsevier B.V. All rights reserved. C1 [Klaver, T. P. C.] Partner Trilateral Euregio Cluster, DIFFER Dutch Inst Fundamental Energy Res, FOM Inst, Eindhoven, Netherlands. [Klaver, T. P. C.] Delft Univ Technol, Dept Mat Sci & Engn, Delft, Netherlands. [del Rio, E.] Univ Politecn Madrid, Inst Fus Nucl, Madrid, Spain. [Bonny, G.] CEN SCK, Nucl Mat Sci Inst, B-2400 Mol, Belgium. [Eich, S. M.] Univ Stuttgart, Inst Mat Sci, D-70174 Stuttgart, Germany. [Caro, A.] Los Alamos Natl Lab, Mat Sci & Technol Div, POB 1663, Los Alamos, NM 87544 USA. RP Klaver, TPC (reprint author), Partner Trilateral Euregio Cluster, DIFFER Dutch Inst Fundamental Energy Res, FOM Inst, Eindhoven, Netherlands. EM klaver2@gmail.com RI del Rio , Emma/H-7537-2015 OI del Rio , Emma/0000-0002-6854-1087 FU NWO; U.S. Department of Energy (DOE) through the LANL/LDRD Program; European Atomic Energy Community's (Euratom) Seventh Framework Programme [604862]; Deutsche Forschungsgemeinschaft [SCHM 1182/13]; Euratom research and training programme [633053]; WPENR: Enabling Research, IFE [AWP15-ENR-01/CEA-02]; Spanish Ministry of Economy and Competitiveness [RADIAFUS ENE2012-39787-C06-03]; Comunidad de Madrid [S2013/MAE-2745] FX This work was carried out with financial support from NWO. AC gratefully acknowledges the support of the U.S. Department of Energy (DOE) through the LANL/LDRD Program. The research leading to these results is partly funded by the European Atomic Energy Community's (Euratom) Seventh Framework Programme FP7/2007-2013 under grant agreement No. 604862 (MatISSE project) and contributes to the Joint Programme on Nuclear Materials (JPNM) of the European Energy Research Alliance (EERA). This work has partially been funded by the Deutsche Forschungsgemeinschaft (grant no. SCHM 1182/13).; Research by EdR 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 grant agreement No. 633053 and WPENR: Enabling Research, IFE, Project: AWP15-ENR-01/CEA-02. The views and opinions expressed herein do not necessarily reflect those of the European Commission. EdR was also supported by the Spanish Ministry of Economy and Competitiveness project RADIAFUS ENE2012-39787-C06-03, Comunidad de Madrid (S2013/MAE-2745 "TECHNOFUSION(II)-C M"). EdR acknowledges the computer resources and technical assistance provided by the Centro de Supercomputacion y Visualizacion de Madrid (CeSViMa). NR 46 TC 1 Z9 1 U1 5 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 EI 1879-0801 J9 COMP MATER SCI JI Comput. Mater. Sci. PD AUG PY 2016 VL 121 BP 204 EP 208 DI 10.1016/j.commatsci.2016.04.033 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA DM6MU UT WOS:000376467700025 ER PT J AU Manawi, Y Kochkodan, V Hussein, MA Khaleel, MA Khraisheh, M Hilal, N AF Manawi, Yehia Kochkodan, Victor Hussein, Muataz Ali Khaleel, Moe A. Khraisheh, Marwan Hilal, Nidal TI Can carbon-based nanomaterials revolutionize membrane fabrication for water treatment and desalination? SO DESALINATION LA English DT Article DE Carbon-based nanomaterials; Membrane fabrication; Water treatment; Desalination ID GRAPHENE OXIDE NANOSHEETS; THIN-FILM COMPOSITE; REVERSE-OSMOSIS MEMBRANE; FLUORIDE ULTRAFILTRATION MEMBRANES; CHEMICAL-VAPOR-DEPOSITION; HOLLOW-FIBER MEMBRANES; NATURAL ORGANIC-MATTER; CAPACITIVE DEIONIZATION; NANOTUBE MEMBRANES; POLYAMIDE MEMBRANES AB Due to their exceptional mechanical, conductive and antibacterial properties carbon-based nanomaterials (CNMs) have been widely used in attempts to fabricate novel membranes for water treatment and desalination with advanced characteristics. This paper reviews the current state of the application of CNMs, including carbon nanotubes, graphene, graphene oxide, carbon nanofibers, MXene, carbide derived carbon and fullerene for membrane preparation. A brief description of different CNMs and their properties has been provided with reference to membrane requirements. Thereafter the recent studies on the membrane fabrication/modification with CNMs as well as the properties of the developed membranes have been critically summarised. It was shown that, in some cases, using CNMs results in novel membranes with high flux, high rejection, low-fouling, and enhanced conductive, thermal and mechanical properties. However, further research including determining the optimum CNM quantity and characteristics, feed-specific membrane performance and long-term operability should be conducted to better evaluate the feasibility of CNM-based membranes in water treatment and desalination. This review paper is potentially important for researchers involved in the membrane fabrication using CNMs. (C) 2016 Elsevier B.V. All rights reserved. C1 [Manawi, Yehia; Kochkodan, Victor; Hussein, Muataz Ali; Khraisheh, Marwan] Hamad Bin Khalifa Univ HBKU, Qatar Fdn, Qatar Energy & Environm Res Inst, Doha, Qatar. [Khaleel, Moe A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Hilal, Nidal] Swansea Univ, Coll Engn, Ctr Water Adv Technol & Environm Res, Bay Campus, Swansea SA1 8EN, W Glam, Wales. RP Hilal, N (reprint author), Swansea Univ, Coll Engn, Ctr Water Adv Technol & Environm Res, Bay Campus, Swansea SA1 8EN, W Glam, Wales. EM n.hilal@swansea.ac.uk OI Hilal, Nidal/0000-0001-7885-4020 FU Qatar Environment and Energy Research Institute through GWC project [4000] FX The authors would like to thank the Qatar Environment and Energy Research Institute for funding this work through GWC project 4000. NR 142 TC 7 Z9 7 U1 69 U2 172 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0011-9164 EI 1873-4464 J9 DESALINATION JI Desalination PD AUG 1 PY 2016 VL 391 SI SI BP 69 EP 88 DI 10.1016/j.desal.2016.02.015 PG 20 WC Engineering, Chemical; Water Resources SC Engineering; Water Resources GA DM9PW UT WOS:000376699200006 ER PT J AU Kumar, ES Mohammadbeigi, F Boatner, LA Watkins, SP AF Kumar, E. Senthil Mohammadbeigi, F. Boatner, L. A. Watkins, S. P. TI High-resolution photoluminescence spectroscopy of Sn-doped ZnO single crystals SO JOURNAL OF LUMINESCENCE LA English DT Article DE Zinc oxide; Photoluminescence; Electrical transport; Dopants; Sn AB Group IV donors in ZnO are poorly understood, despite evidence that they are effective n-type dopants. Here we present high-resolution photoluminescence (PL) spectroscopy studies of unintentionally doped and Sn-doped ZnO single crystals grown by the chemical vapor transport method. Doped samples showed greatly increased emission from the I-10 bound exciton transition that was recently proven to be related to the incorporation of Sn impurities based on radio-isotope studies. The PL linewidths are exceptionally sharp for these samples, enabling a clear identification of several donor species. Temperature-dependent PL measurements of the lin line emission energy and intensity dependence reveal a behavior that is similar to other shallow donors in ZnO. Ionized donor bound-exciton and two-electron satellite transitions of the lin transition are unambiguously identified and yield a donor binding energy of 71 meV. In contrast to recent reports of Ge-related donors in ZnO, the spectroscopic binding energy for the Sn-related donor bound exciton follows a linear relationship with donor binding energy (Haynes rule) similar to recently observed carbon related donors, and confirming the shallow nature of this defect center, which was recently attributed to a Sn-zn double donor compensated by an unknown single acceptor. (C) 2016 Elsevier B.V. All rights reserved. C1 [Kumar, E. Senthil; Mohammadbeigi, F.; Watkins, S. P.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Boatner, L. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Watkins, SP (reprint author), Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. EM simonw@sfu.ca FU Natural Sciences and Engineering Research Council; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX The support of the Natural Sciences and Engineering Research Council of Canada is gratefully acknowledged. Research at the Oak Ridge National Laboratory for one author (LAB) was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 21 TC 0 Z9 0 U1 14 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD AUG PY 2016 VL 176 BP 47 EP 51 DI 10.1016/j.jlumin.2016.01.028 PG 5 WC Optics SC Optics GA DL9DD UT WOS:000375940800007 ER PT J AU Wu, DX Prange, MP Gao, F Kerisit, S AF Wu, Dangxin Prange, Micah P. Gao, Fei Kerisit, Sebastien TI First-principles search for efficient activators for LaI3 SO JOURNAL OF LUMINESCENCE LA English DT Article DE Scintillators; Density functional theory; Activators; Electronic structure; Luminescence centers ID AUGMENTED-WAVE METHOD; BAND-GAP; INORGANIC-COMPOUNDS; CRYSTAL STRUCTURE; SCINTILLATION; ENERGY; PREDICTIONS; DENSITY AB First-principles calculations were performed using density functional theory with Hubbard corrections or hybrid exchange-correlation functionals, as well as the GW approximation, to predict dopants that could serve as efficient activators for LaI3, a potentially very bright scintillator for which an appropriate activator has not been identified yet. The dopants considered in this work included a series of lanthanide ions (Ce, Pr, Nd, Eu, Gd, and Tb) and several ns(2) ions (TI, Pb, Bi, and Sb). Based on both ground-state calculations and constrained DFT calculations to simulate excited states, the trivalent lanthanide dopants were shown not to constitute an improvement over Ce3+, for which experimental data exist, as they showed occupied 4f states below the valence band maximum (VBM) and 5d states above the conduction band maximum (CBM). In contrast, the only divalent lanthanide considered, Eu2+, displayed occupied 4f states within the band gap of the host, but its 5d states were calculated to be above the CBM. Eu2+ could nonetheless be exploited as an activator by increasing the band gap energy slightly through substitution of iodide ions by bromide ions. Similar results were obtained for Tr+. Finally, Bi3+ and Sla(3+) were predicted to be efficient activators in LaI3 by virtue of having unoccupied p states below the CBM, which can serve as electron traps and can combine with holes at the VBM to form localized luminescence centers. Therefore, Bi- and Sb-doped LaI3 should be grown and tested experimentally. Comparison with empirical relationships of the relative positions of the energy levels of rare-earth dopants and implications for efficient doping schemes and scintillation mechanisms in LaI3 are also discussed. (C) 2016 Elsevier B.V. All rights reserved. C1 [Wu, Dangxin; Prange, Micah P.; Gao, Fei; Kerisit, Sebastien] Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99354 USA. [Gao, Fei] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. RP Kerisit, S (reprint author), Pacific NW Natl Lab, Div Phys Sci, Richland, WA 99354 USA. EM sebastien.kerisit@pnnl.gov FU National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering of the U.S. Department of Energy (DOE) [NA-22]; US DOE [DEAC05-76RL0-1830] FX The authors acknowledge Drs. Luke W. Campbell and Yulong Xie for useful discussions. This research was supported by the National Nuclear Security Administration, Office of Nuclear Nonproliferation Research and Engineering (NA-22), of the U.S. Department of Energy (DOE). The calculations were carried out using PNNL Institutional Computing at Pacific Northwest National Laboratory. PNNL is operated by Battelle for the US DOE under Contract No. DEAC05-76RL0-1830. NR 41 TC 2 Z9 2 U1 16 U2 27 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD AUG PY 2016 VL 176 BP 227 EP 234 DI 10.1016/j.jlumin.2016.03.023 PG 8 WC Optics SC Optics GA DL9DD UT WOS:000375940800032 ER PT J AU Yoo, J Yi, GC Chon, B Joo, T Wang, ZH AF Yoo, Jinkyoung Yi, Gyu-Chul Chon, Bonghwan Joo, Taiha Wang, Zhehui TI Luminescence dynamics of bound exciton of hydrogen doped ZnO nanowires SO JOURNAL OF LUMINESCENCE LA English DT Article ID INORGANIC SCINTILLATOR; OPTICAL-PROPERTIES; PLASMA; NANORODS; EMISSION; PHOTOLUMINESCENCE; ARRAYS AB All-optical camera, converting X-rays into visible photons, is a promising strategy for high-performance X-ray imaging detector requiring high detection efficiency and ultrafast detector response time. Zinc oxide is a suitable material for all-optical camera due to its fast radiative recombination lifetime in sub nanosecond regime and its radiation hardness. ZnO nanostructures have been considered as proper building blocks for ultrafast detectors with spatial resolution in sub-micrometer scale. To achieve remarkable enhancement of luminescence efficiency n-type doping in ZnO has been employed. However, luminescence dynamics of doped ZnO nanostructures have not been thoroughly investigated whereas undoped ZnO nanostructures have been employed to study their luminescence dynamics. Here we report a study of luminescence dynamics of hydrogen doped ZnO nanowires obtained by hydrogen plasma treatment. Hydrogen doping in ZnO nanowires gives rise to significant increase in the near-band-edge emission of ZnO and decrease in averaged photoluminescence lifetime from 300 to 140 ps at 10 K. The effects of hydrogen doping on the luminescent characteristics of ZnO nanowires were changed by hydrogen doping process variables. (C) 2016 Elsevier B.V. All rights reserved. C1 [Yoo, Jinkyoung] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. [Yi, Gyu-Chul] Seoul Natl Univ, Dept Phys & Astron, Seoul 151747, South Korea. [Yi, Gyu-Chul] Seoul Natl Univ, Inst Appl Phys, Seoul 151747, South Korea. [Chon, Bonghwan; Joo, Taiha] POSTECH, Dept Chem, Pohang 790784, South Korea. [Wang, Zhehui] Los Alamos Natl Lab, P-25, Los Alamos, NM 87545 USA. [Chon, Bonghwan] Inst for Basic Sci Korea, Ctr Mol Spect & Dynam, Seoul 136713, South Korea. [Chon, Bonghwan] Korea Univ, Dept Chem, Seoul 136713, South Korea. RP Yoo, J (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA.; Yi, GC (reprint author), Seoul Natl Univ, Dept Phys & Astron, Seoul 151747, South Korea.; Yi, GC (reprint author), Seoul Natl Univ, Inst Appl Phys, Seoul 151747, South Korea. RI Yi, Gyu-Chul/F-1326-2011; Yoo, Jinkyoung/B-5291-2008 OI Yoo, Jinkyoung/0000-0002-9578-6979 FU Future-based Technology Development Program (Nano Fields) through the National Research Foundations (NRF) of Korea [0417-20140099]; National Research Foundation of Korea (NRF) grant - Korean government (MEST) [2011-0001215]; Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences User Facility at Los Alamos National Laboratory [DE-AC52-06NA25396]; Sandia National Laboratories [DE-AC04-94AL85000] FX This work was financially supported by Future-based Technology Development Program (Nano Fields) through the National Research Foundations (NRF) of Korea (0417-20140099). The work was performed in part at the Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences User Facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396) and Sandia National Laboratories (Contract DE-AC04-94AL85000). Prof. Joo acknowledges the support of the National Research Foundation of Korea (NRF) grant funded by the Korean government (MEST) (2011-0001215). NR 33 TC 0 Z9 0 U1 6 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-2313 EI 1872-7883 J9 J LUMIN JI J. Lumines. PD AUG PY 2016 VL 176 BP 278 EP 282 DI 10.1016/j.jlumin.2016.03.026 PG 5 WC Optics SC Optics GA DL9DD UT WOS:000375940800039 ER PT J AU Dhuwe, A Lee, J Cummings, S Beckman, E Enick, R AF Dhuwe, Aman Lee, Jason Cummings, Stephen Beckman, Eric Enick, Robert TI Small associative molecule thickeners for ethane, propane and butane SO JOURNAL OF SUPERCRITICAL FLUIDS LA English DT Article DE Ethane; Propane; Butane; Small molecule thickener; Association; Viscosity ID PHOSPHORUS-CONTAINING AMPHIPHILES; THERMODYNAMIC PROPERTY MODEL; FRACTURING FLUIDS; CARBON-DIOXIDE; ORGANOGELS; CO2; COMPLEXES; GELATORS AB The abilities of three classes of low molecular weight, metal-based, associative compounds to thicken high pressure ethane, propane or butane have been assessed with a close clearance falling ball viscometer. Tributyltin fluoride (TBTF) does not require a heating/cooling cycle to attain dissolution, and at a concentration of 1 wt% in ethane, propane or butane yields 70-100-fold viscosity increases at 25 degrees C. Increasing temperature substantially reduces TBTF's thickening ability. Although hydroxyaluminum di-2-ethylhexanoate (HAD2EH) is insoluble in ethane, it does dissolve in liquid propane or butane after mixing at similar to 100 degrees C and cooling to temperatures as low as 40 degrees C. HAD2EH induces small viscosity increases in propane, but is a very effective butane thickener. Increasing temperature causes a relatively small decrease in HAD2EH's thickening performance. Combining a phosphate ester and a crosslinker in ethane, propane or butane yields a translucent liquid with viscosity increases that are significantly less than those attained with TBTF or HAD2EH. (C) 2016 Elsevier B.V. All rights reserved. C1 [Dhuwe, Aman; Lee, Jason; Cummings, Stephen; Beckman, Eric; Enick, Robert] Univ Pittsburgh, Swanson Sch Engn, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. [Enick, Robert] US DOE, ORISE Fac Fellow, Natl Energy Technol Lab, Off Res & Dev, Pittsburgh, PA 15236 USA. RP Enick, R (reprint author), Swanson Sch Engn, Dept Chem & Petr Engn, 940 Benedum Engn Hall,3700 Hara St, Pittsburgh, PA 15261 USA. EM rme@pitt.edu FU U.S. Department of Energy Advance Research Project Agency-Energy (ARPA-E) [DE-AR0000292] FX This work was supported by the U.S. Department of Energy Advance Research Project Agency-Energy (ARPA-E) (Contract No. DE-AR0000292). The authors are grateful to them for their support. We would also like to express our appreciation to Lubrizol for their enthusiastic support of the newly formed Lubrizol Innovation Collaboration in the Department of Chemical and Petroleum Engineering at the Swanson School of Engineering at the University of Pittsburgh. The authors would like to express their appreciation to Ron Anderson and Scott Schultz of Lubrizol Oilfield Solutions for their provision of the phosphate ester and crosslinker samples and numerous helpful discussions related to gelling hydrocarbon liquids. NR 42 TC 1 Z9 1 U1 3 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0896-8446 EI 1872-8162 J9 J SUPERCRIT FLUID JI J. Supercrit. Fluids PD AUG PY 2016 VL 114 BP 9 EP 17 DI 10.1016/j.supflu.2016.03.019 PG 9 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA DM2XN UT WOS:000376211500002 ER PT J AU Martinez-Anido, CB Brinkman, G Hodge, BM AF Martinez-Anido, Carlo Brancucci Brinkman, Greg Hodge, Bri-Mathias TI The impact of wind power on electricity prices SO RENEWABLE ENERGY LA English DT Article DE Wind power; Electricity price; Production cost modeling; Wind forecasting; Wind power curtailment ID MARKET PRICE; GENERATION AB This paper investigates the impact of wind power on electricity prices using a production cost model of the Independent System Operator New England power system. Different scenarios in terms of wind penetration, wind forecasts, and wind curtailment are modeled in order to analyze the impact of wind power on electricity prices for different wind penetration levels and for different levels of wind power visibility and controllability. The analysis concludes that electricity, price volatility increases even as electricity prices decrease with increasing wind penetration levels. The impact of wind power on price volatility is larger in the shorter term (5-min compared to hour-to-hour). The results presented show that over-forecasting wind power increases electricity prices while under-forecasting wind power reduces them. The modeling results also show that controlling wind power by allowing curtailment increases electricity prices, and for higher wind penetrations it also reduces their volatility. Published by Elsevier Ltd. C1 [Martinez-Anido, Carlo Brancucci; Brinkman, Greg; Hodge, Bri-Mathias] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Martinez-Anido, CB (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM carlo.brancuccimartinez-anido@nrel.gov FU U.S. DOE [DE-AC36-08-G028308]; National Renewable Energy Laboratory FX This work was supported by the U.S. DOE under Contract DE-AC36-08-G028308 with the National Renewable Energy Laboratory. NR 22 TC 1 Z9 1 U1 4 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD AUG PY 2016 VL 94 BP 474 EP 487 DI 10.1016/j.renene.2016.03.053 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DL7JJ UT WOS:000375816700042 ER PT J AU Singh, D Kim, T Zhao, WH Yu, WH France, DM AF Singh, Dileep Kim, Taeil Zhao, Weihuan Yu, Wenhua France, David M. TI Development of graphite foam infiltrated with MgCl2 for a latent heat based thermal energy storage (LHTES) system SO RENEWABLE ENERGY LA English DT Article DE Latent heat thermal energy storage; Concentrated solar power; Phase change material; Graphite foam; Infiltration; Magnesium chloride ID CONCENTRATED SOLAR POWER; PHASE-CHANGE MATERIAL; FINNED TUBE; METAL FOAMS; CONDUCTIVITY; ENHANCEMENT; SOLIDIFICATION; PIPES; UNIT; PCM AB Thermal energy storage (TES) systems that are compatible with high temperature power cycles for concentrating solar power (CSP) require high temperature media for transporting and storing thermal energy. To that end, TES systems have been proposed based on the latent heat of fusion of the phase change materials (PCMs). However, PCMs have relatively low thermal conductivities. In this paper, use of high-thermal-conductivity graphite foam infiltrated with a PCM (MgCl2) has been investigated as a potential TES system. Graphite foams with two porosities were infiltrated with MgCl2. The infiltrated composites were evaluated for density, heat of fusion, melting/freezing temperatures, and thermal diffusivities. Estimated thermal conductivities of MgCl2/graphite foam composites were significantly higher than those of MgCl2 alone over the measured temperature range. Furthermore, heat of fusion, melting/freezing temperatures, and densities showed comparable values to those of pure MgCl2. Results of this study indicate that MgCl2/graphite foam composites show promise as storage media for a latent heat thermal energy storage system for CSP applications. (C) 2016 Published by Elsevier Ltd. C1 [Singh, Dileep; Kim, Taeil; Zhao, Weihuan; Yu, Wenhua] Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. [France, David M.] Univ Illinois, Dept Mech & Ind Engn, 842 West Taylor St M-C 251, Chicago, IL 60607 USA. RP Singh, D (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dsingh@anl.gov FU US Department of Energy's EERE Solar Energy Technology Program (Sunshot Initiative) at Argonne National Laboratory, a U.S. Department of Energy's Office of Science Laboratory [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy's EERE Solar Energy Technology Program (Sunshot Initiative) at Argonne National Laboratory, a U.S. Department of Energy's Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357 by UChicago Argonne, LLC. Authors would like to acknowledge fruitful discussions with Dr. Levi Irwin of DOE's Sunshot Initiative. NR 33 TC 1 Z9 1 U1 17 U2 38 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD AUG PY 2016 VL 94 BP 660 EP 667 DI 10.1016/j.renene.2016.03.090 PG 8 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DL7JJ UT WOS:000375816700058 ER PT J AU Langholtz, MH Coleman, AM Eaton, LM Wigmosta, MS Hellwinckel, CM Brandt, CC AF Langholtz, Matthew H. Coleman, Andre M. Eaton, Laurence M. Wigmosta, Mark S. Hellwinckel, Chad M. Brandt, Craig C. TI Potential land competition between open-pond microalgae production and terrestrial dedicated feedstock supply systems in the US SO RENEWABLE ENERGY LA English DT Article DE Agricultural policy analysis; Bioenergy; Biofuels; Microalgae; Land use ID ALGAL BIOFUEL PRODUCTION; UNITED-STATES; AVAILABILITY; FUELS; WATER; CULTIVATION; FACILITIES; FEED AB To date, feedstock resource assessments have evaluated cellulosic and algal feedstocks independently, without consideration of demands for, and resource allocation to, each other. We assess potential land competition between algal and terrestrial feedstocks in the United States, and evaluate a scenario in which 41.5 x 10(9) L yr(-1) of second-generation biofuels are produced on pastureland, the most likely land base where both feedstock types may be deployed. Under this scenario, open-pond microalgae production is projected to use 1.2 x 10(6) ha of private pastureland, while terrestrial biomass feedstocks would use 14.0 x 10(6) ha of private pastureland. A spatial meta-analysis indicates that potential competition for land under this scenario would he concentrated in 110 counties, containing 1.0 and 1.7 x 10(6) ha of algal and terrestrial dedicated feedstock production, respectively. A land competition index applied to these 110 counties suggests that 38 to 59 counties could experience competition for upwards of 40% of a county's pastureland, representing 2%-5% of total pastureland in the U.S.; therefore suggesting little overall competition between algae production, terrestrial energy feedstocks and alternative uses for existing agricultural production such as livestock grazing. (C) 2016 Published by Elsevier Ltd. C1 [Langholtz, Matthew H.; Eaton, Laurence M.; Brandt, Craig C.] Oak Ridge Natl Lab, Energy & Environm Sci Directorate, POB 2008, Oak Ridge, TN 37831 USA. [Coleman, Andre M.; Wigmosta, Mark S.] Pacific Northwest Natl Lab, 902 Battelle Blvd, Richland, WA 99354 USA. [Hellwinckel, Chad M.] Univ Tennessee, Dept Agr Econ & Rural Sociol, Agr Policy Anal Ctr, 310 Morgan Hall, Knoxville, TN 37901 USA. RP Langholtz, MH (reprint author), Oak Ridge Natl Lab, Energy & Environm Sci Directorate, POB 2008, Oak Ridge, TN 37831 USA. EM langholtzmh@ornl.gov RI Eaton, Laurence/E-1471-2012 OI Eaton, Laurence/0000-0003-1270-9626 FU US Department of Energy (USDOE); Efficiency and Renewable Energy (EERE); Bioenergy Technologies Office (BETO); program development funds within Oak Ridge National Laboratory's (ORNL) Environmental Sciences Division; U.S. Department of Energy [DE-AC05-00OR22725] FX This project was funded by the US Department of Energy (USDOE), Efficiency and Renewable Energy (EERE), Bioenergy Technologies Office (BETO) as well as by program development funds within Oak Ridge National Laboratory's (ORNL) Environmental Sciences Division. ORNL is managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract DE-AC05-00OR22725. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, expressed 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. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise, does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. NR 44 TC 1 Z9 1 U1 5 U2 12 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0960-1481 J9 RENEW ENERG JI Renew. Energy PD AUG PY 2016 VL 93 BP 201 EP 214 DI 10.1016/j.renene.2016.02.052 PG 14 WC GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY; Energy & Fuels SC Science & Technology - Other Topics; Energy & Fuels GA DK0QJ UT WOS:000374617000018 ER PT J AU Beaubrun, JJG Flamer, ML Addy, N Ewing, L Gopinath, G Jarvis, K Grim, C Hanes, DE AF Beaubrun, Junia Jean-Gilles Flamer, Marie-Laure Addy, Nicole Ewing, Laura Gopinath, Gopal Jarvis, Karen Grim, Chris Hanes, Darcy E. TI Evaluation of corn oil as an additive in the pre-enrichment step to increase recovery of Salmonella enterica from oregano SO FOOD MICROBIOLOGY LA English DT Article DE Salmonella spp.; Montevideo; Oregano; Additives; Corn oil; Molecular serotyping; Shot-gun metagenomics ID PATHOGEN BACILLUS-CEREUS; CARVACROL; MECHANISMS; ORIGANUM AB Phenolic compounds associated with essential oils of spices and herbs possess a variety of antioxidant and antimicrobial properties that interfere with Salmonella detection from fresh and dried products. Finding a compound to neutralize the effect of these antimicrobial compounds, while allowing Salmonella growth during pre-enrichment, is a crucial step in both traditional pathogen isolation and molecular detection from these foods. This study evaluated the effectiveness of corn oil as a component of the pre-enrichment broth to counteract antimicrobial compounds properties and increase the recovery of Salmonella from spices. Oregano samples artificially contaminated with Salmonella enterica were pre-enriched in modified Buffered Peptone Water (mBPW) supplemented with and without 2% (vol/vol) corn oil respectively. Samples were incubated overnight at 37 degrees C. The results showed that recovery of Salmonella from oregano samples was increased by >= 50% when pre-enriched with corn oil. Serovars were confirmed using a PCR serotyping method. In addition, shot-gun metagenomics analyses demonstrated bacterial diversity and the effect of corn oil on the relative prevalence of Salmonella in the oregano samples. Modifying pre-enrichment broths with corn oil improved the detection and isolation of Salmonella from oregano, and may provide an alternative method for pathogen detection in dried food matrices such as spices. Published by Elsevier Ltd. C1 [Beaubrun, Junia Jean-Gilles; Flamer, Marie-Laure; Addy, Nicole; Ewing, Laura; Gopinath, Gopal; Jarvis, Karen; Grim, Chris; Hanes, Darcy E.] US FDA, Laurel, MD 20708 USA. [Flamer, Marie-Laure] Univ Maryland, UMCP JIFSAN Program, 5201 Paint Branch Pkwy Patapsco Bldg Suite 2134, College Pk, MD 20742 USA. [Addy, Nicole; Grim, Chris] Oak Ridge Inst Sci & Technol, Oak Ridge, TN USA. RP Beaubrun, JJG (reprint author), US FDA, MOD Facil 1, Virulence Mech Branch,Ctr Food Safety & Appl Nutr, Div Virulence Assessment,Off Appl Res & Safety As, HFS-025,8301 Muirkirk Rd, Laurel, MD 20708 USA. EM junia.jean-gillesbeaubrun@fda.hhs.gov RI Fiori, Alex/H-6065-2016 NR 31 TC 1 Z9 1 U1 3 U2 27 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0740-0020 EI 1095-9998 J9 FOOD MICROBIOL JI Food Microbiol. PD AUG PY 2016 VL 57 BP 195 EP 203 DI 10.1016/j.fm.2016.03.005 PG 9 WC Biotechnology & Applied Microbiology; Food Science & Technology; Microbiology SC Biotechnology & Applied Microbiology; Food Science & Technology; Microbiology GA DI5XF UT WOS:000373573100025 ER PT J AU Sun, YZ Sun, PT Zheng, B Lin, G AF Sun, Yuzhou Sun, Pengtao Zheng, Bin Lin, Guang TI Error analysis of finite element method for Poisson-Nernst-Planck equations SO JOURNAL OF COMPUTATIONAL AND APPLIED MATHEMATICS LA English DT Article DE Poisson-Nernst-Planck equations; Finite element method; A priori error estimates; Semi-discretization; Full discretization; Crank-Nicolson scheme ID BIOLOGICAL ION CHANNELS; SEMICONDUCTOR-DEVICE; ASYMPTOTIC ANALYSIS; GRAMICIDIN; TRANSPORT; ACETYLCHOLINESTERASE; PERMEATION; MEMBRANE; SYSTEM; MODEL AB In this paper we study the a priori error estimates of finite element method for the system of time-dependent Poisson-Nernst-Planck equations, and for the first time, we obtain its optimal error estimates in L-infinity (H-1) and L-2(H-1) norms, and suboptimal error estimates in L-infinity (L-2) norm, with linear element, and optimal error estimates in L-infinity (L-2) norm with quadratic or higher-order element, for both semi- and fully discrete finite element approximations. Numerical experiments are also given to validate the theoretical results. (C) 2016 Elsevier B.V. All rights reserved. C1 [Sun, Yuzhou; Sun, Pengtao] Univ Nevada, Dept Math Sci, 4505 Maryland Pkwy, Las Vegas, NV 89154 USA. [Zheng, Bin] Pacific NW Natl Lab, Adv Comp Math & Data Div, 902 Battelle Blvd, Richland, WA 99354 USA. [Lin, Guang] Purdue Univ, Dept Math, 610 Purdue Mall, W Lafayette, IN 47907 USA. RP Sun, PT (reprint author), Univ Nevada, Dept Math Sci, 4505 Maryland Pkwy, Las Vegas, NV 89154 USA. EM suny5@unlv.nevada.edu; pengtao.sun@unlv.edu; Bin.Zheng@pnnl.gov; guanglin@purdue.edu FU UNLV Faculty Opportunity Award; NSF Grant [DMS-1418806, DMS-1115887]; Applied Mathematics Program within the Department of Energy Office of Advanced Scientific Computing Research as part of the Modeling and Simulation of High Dimensional Stochastic Multiscale PDE Systems project; US Department of Energy, Office of Science; DOE [DE-AC05-76RL01830] FX P. Sun and Y. Sun were partially supported by UNLV Faculty Opportunity Award (2013-2014). P. Sun was also supported by NSF Grant DMS-1418806. Y. Sun was also partially supported by the Applied Mathematics Program within the Department of Energy Office of Advanced Scientific Computing Research as part of the Modeling and Simulation of High Dimensional Stochastic Multiscale PDE Systems project. G. Lin and B. Zheng would like to thank the support by NSF Grant DMS-1115887, and the US Department of Energy, Office of Science, Office of Advanced Scientific Computing Research, Applied Mathematics program as part of the Collaboratory on Mathematics for Mesoscopic Modeling of Materials, and Multifaceted Mathematics for Complex Energy Systems. PNNL is operated by Battelle for the DOE under Contract DE-AC05-76RL01830. The research was performed using the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory. NR 55 TC 0 Z9 0 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0377-0427 EI 1879-1778 J9 J COMPUT APPL MATH JI J. Comput. Appl. Math. PD AUG 1 PY 2016 VL 301 BP 28 EP 43 DI 10.1016/j.cam.2016.01.028 PG 16 WC Mathematics, Applied SC Mathematics GA DH3LB UT WOS:000372687400003 ER PT J AU Johnson, BB Sinha, M Ainsworth, NG Dorfler, F Dhople, SV AF Johnson, Brian B. Sinha, Mohit Ainsworth, Nathan G. Doerfler, Florian Dhople, Sairaj V. TI Synthesizing Virtual Oscillators to Control Islanded Inverters SO IEEE TRANSACTIONS ON POWER ELECTRONICS LA English DT Article DE Averaging; droop control; microgrids; nonlinear oscillator circuits; synchronization; Van der Pol oscillators ID DC-DC CONVERTERS; DROOP CONTROLLER; MICROGRIDS; SYNCHRONIZATION; PARALLEL; OPERATION; SYSTEMS AB Virtual oscillator control (VOC) is a decentralized control strategy for islanded microgrids where inverters are regulated to emulate the dynamics of weakly nonlinear oscillators. Compared to droop control, which is only well defined in sinusoidal steady state, VOC is a time-domain controller that enables interconnected inverters to stabilize arbitrary initial conditions to a synchronized sinusoidal limit cycle. However, the nonlinear oscillators that are elemental to VOC cannot be designed with conventional linear-control design methods. We address this challenge by applying averaging-and perturbation-based nonlinear analysis methods to extract the sinusoidal steady-state and harmonic behavior of such oscillators. The averaged models reveal conclusive links between real-and reactive-power outputs and the terminal-voltage dynamics. Similarly, the perturbation methods aid in quantifying higher order harmonics. The resultant models are then leveraged to formulate a design procedure for VOC such that the inverter satisfies standard ac performance specifications related to voltage regulation, frequency regulation, dynamic response, and harmonic content. Experimental results for a single-phase 750 VA, 120 V laboratory prototype demonstrate the validity of the design approach. They also demonstrate that droop laws are, in fact, embedded within the equilibria of the nonlinear-oscillator dynamics. This establishes the backward compatibility of VOC in that, while acting on time-domain waveforms, it subsumes droop control in sinusoidal steady state. C1 [Johnson, Brian B.; Ainsworth, Nathan G.] Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA. [Sinha, Mohit; Dhople, Sairaj V.] Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55414 USA. [Doerfler, Florian] ETH, Automat Control Lab, CH-8092 Zurich, Switzerland. RP Johnson, BB; Ainsworth, NG (reprint author), Natl Renewable Energy Lab, Power Syst Engn Ctr, Golden, CO 80401 USA.; Sinha, M; Dhople, SV (reprint author), Univ Minnesota, Dept Elect & Comp Engn, Minneapolis, MN 55414 USA.; Dorfler, F (reprint author), ETH, Automat Control Lab, CH-8092 Zurich, Switzerland. EM brian.johnson@nrel.gov; sinha052@umn.edu; nathan.ainsworth@nrel.gov; dorfler@ethz.ch; sdhople@umn.edu FU Laboratory Directed Research and Development program at NREL; U.S. Department of Energy [DE-AC36-08-GO28308]; NREL; National Science Foundation under the CAREER [ECCS-CAR-1453921, ECCS-1509277]; Office of Naval Research [N000141410639]; ETH Zurich funds; SNF [160573] FX The work of B. B. Johnson and N. G. Ainsworth was supported by the Laboratory Directed Research and Development program at NREL and by the U.S. Department of Energy under Contract DE-AC36-08-GO28308 with NREL. The work of M. Sinha and S. V. Dhople was supported in part by the National Science Foundation under the CAREER Award, ECCS-CAR-1453921, Grant ECCS-1509277, and by the Office of Naval Research under Grant N000141410639. The work of F. Dorfler was supported by ETH Zurich funds and the SNF Assistant Professor Energy Grant #160573. Recommended for publication by Associate Editor Y. Sozer. NR 34 TC 0 Z9 0 U1 1 U2 9 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-8993 EI 1941-0107 J9 IEEE T POWER ELECTR JI IEEE Trans. Power Electron. PD AUG PY 2016 VL 31 IS 8 BP 6002 EP 6015 DI 10.1109/TPEL.2015.2497217 PG 14 WC Engineering, Electrical & Electronic SC Engineering GA DG8YR UT WOS:000372370000056 ER PT J AU Chorin, AJ Lu, F Miller, RN Morzfeld, M Tu, XM AF Chorin, Alexandre J. Lu, Fei Miller, Robert N. Morzfeld, Matthias Tu, Xuemin TI SAMPLING, FEASIBILITY, AND PRIORS IN BAYESIAN ESTIMATION SO DISCRETE AND CONTINUOUS DYNAMICAL SYSTEMS LA English DT Article DE Monte Carlo; data assimilation; model reduction; Bayesian estimation ID DATA ASSIMILATION; PARTICLE FILTERS; PARAMETER-ESTIMATION; NONLINEAR DYNAMICS; SYSTEMS; DIFFUSIONS AB Importance sampling algorithms are discussed in detail, with an emphasis on implicit sampling, and applied to data assimilation via particle filters. Implicit sampling makes it possible to use the data to find high-probability samples at relatively low cost, making the assimilation more efficient. A new analysis of the feasibility of data assimilation is presented, showing in detail why feasibility depends on the Frobenius norm of the covariance matrix of the noise and not on the number of variables. A discussion of the convergence of particular particle filters follows. A major open problem in numerical data assimilation is the determination of appropriate priors; a progress report on recent work on this problem is given. The analysis highlights the need for a careful attention both to the data and to the physics in data assimilation problems. C1 [Chorin, Alexandre J.; Lu, Fei] Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA. [Chorin, Alexandre J.; Lu, Fei] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Miller, Robert N.] Oregon State Univ, Coll Earth Ocean & Atmospher Sci, Corvallis, OR 97331 USA. [Morzfeld, Matthias] Univ Arizona, Dept Math, Tucson, AZ 85721 USA. [Tu, Xuemin] Univ Kansas, Dept Math, Lawrence, KS 66045 USA. RP Chorin, AJ (reprint author), Univ Calif Berkeley, Dept Math, Berkeley, CA 94720 USA.; Chorin, AJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM chorin@math.lbl.gov; flu@lbl.gov; miller@coas.oregonstate.edu; mmo@math.arizona.edu; xtu@math.ku.edu FU Office of Science, Computational and Technology Research, U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DMS-1217065, DMS-1419044, DMS1115759, DMS1419069] FX This work was supported in part by the Director, Office of Science, Computational and Technology Research, U.S. Department of Energy, under Contract No. DE-AC02-05CH11231, and by the National Science Foundation under grants DMS-1217065, DMS-1419044, DMS1115759 and DMS1419069. NR 56 TC 1 Z9 1 U1 0 U2 21 PU AMER INST MATHEMATICAL SCIENCES-AIMS PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA SN 1078-0947 EI 1553-5231 J9 DISCRETE CONT DYN-A JI Discret. Contin. Dyn. Syst. PD AUG PY 2016 VL 36 IS 8 SI SI BP 4227 EP 4246 DI 10.3934/dcds.2016.8.4227 PG 20 WC Mathematics, Applied; Mathematics SC Mathematics GA DG3WD UT WOS:000372000300007 ER PT J AU Colella, P AF Colella, Phillip TI HIGH-ORDER FINITE-VOLUME METHODS ON LOCALLY-STRUCTURED GRIDS SO DISCRETE AND CONTINUOUS DYNAMICAL SYSTEMS LA English DT Article DE Finite volume methods; conservation laws; adaptive mesh refinement; mapped grids; cut-cell methods ID HYPERBOLIC CONSERVATION-LAWS; ADAPTIVE-MESH REFINEMENT; FLUX-CORRECTED TRANSPORT; EMBEDDED BOUNDARY METHOD; IRREGULAR DOMAINS; POISSONS-EQUATION; PROJECTION METHOD; FLOW; SIMULATION; ACCURACY AB We present an approach to designing arbitrarily high-order finite volume spatial discretizations on locally-rectangular grids. It is based on the use of a simple class of high-order quadratures for computing the average of fluxes over faces. This approach has the advantage of being a variation on widely-used second-order methods, so that the prior experience in engineering those methods carries over in the higher-order case. Among the issues discussed are the basic design principles for uniform grids, the extension to locally-refined nest grid hierarchies, and the treatment of complex geometries using mapped grids, multiblock grids, and cut-cell representations. C1 [Colella, Phillip] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. RP Colella, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM pcolella@lbl.gov FU Office of Advanced Scientific Computing Research of the US Department of Energy [DE-AC02-05CH11231] FX Research supported by the Office of Advanced Scientific Computing Research of the US Department of Energy under Contract Number DE-AC02-05CH11231. NR 43 TC 0 Z9 0 U1 2 U2 10 PU AMER INST MATHEMATICAL SCIENCES-AIMS PI SPRINGFIELD PA PO BOX 2604, SPRINGFIELD, MO 65801-2604 USA SN 1078-0947 EI 1553-5231 J9 DISCRETE CONT DYN-A JI Discret. Contin. Dyn. Syst. PD AUG PY 2016 VL 36 IS 8 SI SI BP 4247 EP 4270 DI 10.3934/dcds.2016.8.4247 PG 24 WC Mathematics, Applied; Mathematics SC Mathematics GA DG3WD UT WOS:000372000300008 ER PT J AU Kertesz, V Weiskittel, TM Vavrek, M Freddo, C Van Berkel, GJ AF Kertesz, Vilmos Weiskittel, Taylor M. Vavrek, Marissa Freddo, Carol Van Berkel, Gary J. TI Extraction efficiency and implications for absolute quantitation of propranolol in mouse brain, liver and kidney tissue sections using droplet- based liquid microjunction surface sampling highperformance liquid chromatography/ electrospray ionization tandem mass spectrometry SO RAPID COMMUNICATIONS IN MASS SPECTROMETRY LA English DT Article ID SPATIALLY-RESOLVED ANALYSIS; WHOLE-BODY AUTORADIOGRAPHY; TRYPTIC DIGESTION; DRUG DISTRIBUTION; LESA-MS; METABOLITES; PROTEINS; MS/MS; MEAT; AUTHENTICATION AB RATIONALE: Currently, the absolute quantitation aspects of droplet-based surface sampling for tissue analysis using a fully automated autosampler/high-performance liquid chromatography/electrospray ionization tandem mass spectrometry (HPLC/ESI-MS/MS) system have not been fully evaluated. Knowledge of extraction efficiency and its reproducibility is required to judge the potential of the method for absolute quantitation of analytes from tissue sections. METHODS: Adjacent tissue sections of propranolol-dosed mouse brain (10-mu m-thick), kidney (10-mu m-thick) and liver (8-, 10-, 16-and 24-mu m-thick) were obtained. The absolute concentration of propranolol was determined in tissue punches from serial sections using standard bulk tissue extraction protocols and subsequent HPLC separations and MS/MS analysis. These values were used to determine propranolol extraction efficiency from the tissues with the droplet-based surface sampling approach. RESULTS: Extraction efficiency of propranolol using 10-mu m-thick brain, kidney and liver tissues using droplet-based surface sampling varied between similar to 45 and 63%. The extraction efficiency decreased from similar to 65% to similar to 36% with liver thickness increasing from 8 mu m to 24 mu m. Selecting half of the samples as standards, the precision and accuracy of propranolol concentrations were determined for the other half of the samples that were employed as a quality control data set. The resulting precision (+/- 15%) and accuracy (+/- 3%) were within acceptable limits. CONCLUSIONS: Quantitation of adjacent mouse tissue sections of different organs and of various thicknesses by droplet-based surface sampling in comparison with bulk extraction of tissue punches showed that extraction efficiency was incomplete using the former method, and that it depended on the organ and tissue thickness. However, once extraction efficiency was determined and applied, the droplet-based approach provided satisfactory quantitation accuracy and precision for assay validations. Thus, once the extraction efficiency was calibrated for a given tissue type, tissue thickness and drug, the droplet-based approach provides a non-labour-intensive and high-throughput means to acquire spatially resolved quantitative analysis of multiple samples of the same type. Published in 2016. This article is a U. S. Government work and is in the public domain in the USA. C1 [Kertesz, Vilmos; Weiskittel, Taylor M.; Van Berkel, Gary J.] Oak Ridge Natl Lab, Div Chem Sci, Mass Spectrometry & Laser Spect Grp, Oak Ridge, TN 37831 USA. [Weiskittel, Taylor M.] Univ Tennessee, ORISE HERE Intern, Knoxville, TN 37996 USA. [Vavrek, Marissa; Freddo, Carol] Merck Res Labs, Dept Pharmacokinet Pharmacodynam & Drug Metab, West Point, PA 19486 USA. RP Kertesz, V (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Mass Spectrometry & Laser Spect Grp, Oak Ridge, TN 37831 USA. EM kerteszv@ornl.gov RI Kertesz, Vilmos/M-8357-2016 OI Kertesz, Vilmos/0000-0003-0186-5797 FU Cooperative Research and Development Agreement with Sciex [CRADA NFE-10-02966]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division; U.S. Department of Energy [DE-AC05-00OR22725] FX The API 4000 instrument used in this work was provided on loan from, and support for V.K. and G.J.V.B. was provided through a Cooperative Research and Development Agreement with Sciex (CRADA NFE-10-02966). T.M.W. acknowledges an ORNL appointment through the ORISE HERE program. The software package dropletProbe Premium (c) v1.20 was previously developed with support from the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (http://energy.gov/downloads/doe-public-access-plan). NR 34 TC 1 Z9 1 U1 2 U2 6 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0951-4198 EI 1097-0231 J9 RAPID COMMUN MASS SP JI Rapid Commun. Mass Spectrom. PD JUL 30 PY 2016 VL 30 IS 14 BP 1705 EP 1712 DI 10.1002/rcm.7607 PG 8 WC Biochemical Research Methods; Chemistry, Analytical; Spectroscopy SC Biochemistry & Molecular Biology; Chemistry; Spectroscopy GA DR5XK UT WOS:000379975500005 PM 28328034 ER PT J AU Brady, NW Knehr, KW Cama, CA Lininger, CN Lin, Z Marschilok, AC Takeuchi, KJ Takeuchi, ES West, AC AF Brady, Nicholas W. Knehr, K. W. Cama, Christina A. Lininger, Christianna N. Lin, Zhou Marschilok, Amy C. Takeuchi, Kenneth J. Takeuchi, Esther S. West, Alan C. TI Galvanostatic interruption of lithium insertion into magnetite: Evidence of surface layer formation SO JOURNAL OF POWER SOURCES LA English DT Article DE Lithium ion batteries; Voltage recovery; Multi-scale model; Avrami model; SEI ID CRYSTALLITE SIZE CONTROL; LI-ION BATTERIES; NANOCRYSTALLINE MAGNETITE; ELECTROCHEMICAL PROPERTIES; PHASE-CHANGE; FE3O4; ELECTRODES; DISCHARGE; PERFORMANCE; KINETICS AB Magnetite is a known lithium intercalation material, and the loss of active, nanocrystalline magnetite can be inferred from the open-circuit potential relaxation. Specifically, for current interruption after relatively small amounts of lithium insertion, the potential first increases and then decreases, and the decrease is hypothesized to be due to a formation of a surface layer, which increases the solid-state lithium concentration in the remaining active material. Comparisons of simulation to experiment suggest that the reactions with the electrolyte result in the formation of a thin layer of electrochemically inactive material, which is best described by a nucleation and growth mechanism. Simulations are consistent with experimental results observed for 6, 8 and 32-nm crystals. Furthermore, simulations capture the experimental differences in lithiation behavior between the first and second cycles. (C) 2016 Elsevier B.V. All rights reserved. C1 [Brady, Nicholas W.; Knehr, K. W.; Lininger, Christianna N.; West, Alan C.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. [Cama, Christina A.; Lin, Zhou; Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Takeuchi, Esther S.] Brookhaven Natl Lab, Energy Sci Directorate, Upton, NY 11973 USA. [Marschilok, Amy C.; Takeuchi, Kenneth J.; Takeuchi, Esther S.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. RP West, AC (reprint author), Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. EM acw7@columbia.edu RI Knehr, Kevin/R-4127-2016 OI Knehr, Kevin/0000-0001-5571-1537 FU Center for Mesoscale Transport Properties, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012673]; Empire State Development's Division of Science, Technology, and Innovation [C090171]; National Science Foundation [DGE-11-44155] FX This work was supported as part of the Center for Mesoscale Transport Properties, an Energy Frontier Research Center supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under award #DE-SC0012673. The computing was performed on the Yeti Shared HPC Cluster at Columbia University, which includes support from Empire State Development's Division of Science, Technology, and Innovation under contract number C090171. K. W. K. and C. N. L greatly acknowledge the support of the National Science Foundation Graduate Research Fellowship under Grant No. DGE-11-44155. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the authors and do not necessarily reflect the views of the National Science Foundation. NR 36 TC 3 Z9 3 U1 5 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JUL 30 PY 2016 VL 321 BP 106 EP 111 DI 10.1016/j.jpowsour.2016.04.117 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA DO4CK UT WOS:000377729200011 ER PT J AU Gallaway, JW Hertzberg, BJ Zhong, Z Croft, M Turney, DE Yadav, GG Steingart, DA Erdonmez, CK Banerjee, S AF Gallaway, Joshua W. Hertzberg, Benjamin J. Zhong, Zhong Croft, Mark Turney, Damon E. Yadav, Gautam G. Steingart, Daniel A. Erdonmez, Can K. Banerjee, Sanjoy TI Operando identification of the point of [Mn-2]O-4 spinel formation during gamma-MnO2 discharge within batteries SO JOURNAL OF POWER SOURCES LA English DT Article DE Alkaline battery; Manganese dioxide; Zinc; Spinel; Proton insertion; Operando diffraction ID MANGANESE DIOXIDE ELECTRODE; H-2 MAS NMR; ALKALINE ELECTROLYTE; CELLS; RECHARGEABILITY; REDUCTION; MECHANISM; TRANSFORMATION; RAMSDELLITE; BETA-MNO2 AB The rechargeability of gamma-MnO2 cathodes in alkaline batteries is limited by the formation of the [Mn-2]O-4 spinels ZnMn2O4 (hetaerolite) and Mn3O4 (hausmannite). However, the time and formation mechanisms of these spinels are not well understood. Here we directly observe gamma-MnO2 discharge at a range of reaction extents distributed across a thick porous electrode. Coupled with a battery model, this reveals that spinel formation occurs at a precise and predictable point in the reaction, regardless of reaction rate. Observation is accomplished by energy dispersive X-ray diffraction (EDXRD) using photons of high energy and high flux, which penetrate the cell and provide diffraction data as a function of location and time. After insertion of 0.79 protons per gamma-MnO2 the alpha-MnOOH phase forms rapidly. alpha-MnOOH is the precursor to spinel, which closely follows. ZnMn2O4 and Mn3O4 form at the same discharge depth, by the same mechanism. The results show the final discharge product, Mn3O4 or Mn(OH)(2), is not an intrinsic property of gamma-MnO2. While several studies have identified Mn(OH)(2) as the final gamma-MnO2 discharge product, we observe direct conversion to Mn3O4 with no Mn(OH)(2). (C) 2016 Elsevier B.V. All rights reserved. C1 [Gallaway, Joshua W.; Turney, Damon E.; Yadav, Gautam G.; Banerjee, Sanjoy] CUNY City Coll, Dept Chem Engn, CUNY Energy Inst, 160 Convent Ave, New York, NY 10031 USA. [Hertzberg, Benjamin J.; Steingart, Daniel A.] Princeton Univ, Andlinger Ctr Energy & Environm, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. [Zhong, Zhong] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Croft, Mark] Rutgers State Univ, Dept Phys & Astron, 136 Frelinghuysen Rd, Piscataway, NJ 08854 USA. [Erdonmez, Can K.] Brookhaven Natl Lab, Energy Storage Grp, Upton, NY 11973 USA. RP Gallaway, JW (reprint author), CUNY City Coll, Dept Chem Engn, CUNY Energy Inst, 160 Convent Ave, New York, NY 10031 USA. EM jgallaway@che.ccny.cuny.edu OI Gallaway, Joshua/0000-0002-6798-7781 FU Laboratory Directed Research and Development Program of Brookhaven National Laboratory (LDRD-BNL) [DE-AC02-98CH10866]; U.S. Department of Energy; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The authors would like to thank Hui Zhong for helpful assistance at the beamline. This work was supported by the Laboratory Directed Research and Development Program of Brookhaven National Laboratory (LDRD-BNL) Under Contract No. DE-AC02-98CH10866 with the U.S. Department of Energy. 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. NR 34 TC 2 Z9 2 U1 23 U2 38 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 EI 1873-2755 J9 J POWER SOURCES JI J. Power Sources PD JUL 30 PY 2016 VL 321 BP 135 EP 142 DI 10.1016/j.jpowsour.2016.05.002 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA DO4CK UT WOS:000377729200015 ER PT J AU Shi, Y Fisch, NJ Qin, H AF Shi, Yuan Fisch, Nathaniel J. Qin, Hong TI Effective-action approach to wave propagation in scalar QED plasmas SO PHYSICAL REVIEW A LA English DT Article ID STRONG MAGNETIC-FIELD; MULTIPLE CYCLOTRON LINES; PHOTON PROPAGATION; FINITE-TEMPERATURE; GAUGE-INVARIANCE; PULSE PROFILE; 4U 0115+63; QUANTUM; POLARIZATION; ABSORPTION AB A relativistic quantum field theory with nontrivial background fields is developed and applied to study waves in plasmas. The effective action of the electromagnetic 4-potential is calculated ab initio from the standard action of scalar QED using path integrals. The resultant effective action is gauge invariant and contains nonlocal interactions, fromwhich gauge bosons acquire masseswithout breaking the local gauge symmetry. To demonstrate how the general theory can be applied, we give two examples: a cold unmagnetized plasma and a cold uniformly magnetized plasma. Using these two examples, we show that all linear waves well known in classical plasma physics can be recovered from relativistic quantum results when taking the classical limit. In the opposite limit, classical wave dispersion relations are modified substantially. In unmagnetized plasmas, longitudinal waves propagate with nonzero group velocities even when plasmas are cold. In magnetized plasmas, anharmonically spaced Bernstein waves persist even when plasmas are cold. These waves account for cyclotron absorption features observed in spectra of x-ray pulsars. Moreover, cutoff frequencies of the two nondegenerate electromagnetic waves are red-shifted by different amounts. These corrections need to be taken into account in order to correctly interpret diagnostic results in laser plasma experiments. C1 [Shi, Yuan; Fisch, Nathaniel J.; Qin, Hong] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [Shi, Yuan; Fisch, Nathaniel J.; Qin, Hong] Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Qin, Hong] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China. RP Shi, Y (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA.; Shi, Y (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM yshi@pppl.gov FU NNSA [DE-NA0002948]; DOE [DE-AC02-09CH11466] FX The authors want to thank referees for their comments. The authors are grateful to I. Y. Dodin and D. E. Ruiz for valuable discussions. This research is supported by NNSA Grant No. DE-NA0002948 and DOE Research Grant No. DE-AC02-09CH11466. NR 56 TC 0 Z9 0 U1 7 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9926 EI 2469-9934 J9 PHYS REV A JI Phys. Rev. A PD JUL 29 PY 2016 VL 94 IS 1 AR 012124 DI 10.1103/PhysRevA.94.012124 PG 20 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA DT4UF UT WOS:000381475900004 ER PT J AU Bohmer, AE Taufour, V Straszheim, WE Wolf, T Canfield, PC AF Bohmer, A. E. Taufour, V. Straszheim, W. E. Wolf, T. Canfield, P. C. TI Variation of transition temperatures and residual resistivity ratio in vapor-grown FeSe SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTIVITY; TRANSPORT; PHASE AB The study of the iron-based superconductor FeSe has blossomed with the availability of high-quality single crystals, obtained through flux/vapor-transport growth techniques below the structural transformation temperature of its tetragonal phase, T approximate to 450 degrees C. Here, we report on the variation of sample morphology and properties due to small modifications in the growth conditions. A considerable variation of the superconducting transition temperature T-c, from 8.8 K to 3 K, which cannot be correlated with the sample composition, is observed. Instead, we point out a clear correlation between T-c and disorder, as measured by the residual resistivity ratio. Notably, the tetragonal-to-orthorhombic structural transition is also found to be quite strongly disorder dependent (T-s approximate to 72-90 K) and linearly correlated with T-c. C1 [Bohmer, A. E.; Taufour, V.; Straszheim, W. E.; Canfield, P. C.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Wolf, T.] Karlsruhe Inst Technol, Inst Festkorperphys, D-76021 Karlsruhe, Germany. [Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Bohmer, AE (reprint author), Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. EM aboehmer@iastate.edu FU Ames Laboratory, US DOE [DE-AC02-07CH11358]; Helmholtz association [PD-226] FX We are grateful to S. L. Bud'ko for the critical reading of the manuscript and his valuable comments. This work was carried out at the Iowa State University and supported by the Ames Laboratory, US DOE, under Contract No. DE-AC02-07CH11358. A.E.B. also acknowledges support from the Helmholtz association via PD-226. NR 33 TC 2 Z9 2 U1 15 U2 23 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 29 PY 2016 VL 94 IS 2 AR 024526 DI 10.1103/PhysRevB.94.024526 PG 6 WC Physics, Condensed Matter SC Physics GA DT4WF UT WOS:000381481300007 ER PT J AU Chen, RY Zhang, SJ Bauer, ED Thompson, JD Wang, NL AF Chen, R. Y. Zhang, S. J. Bauer, E. D. Thompson, J. D. Wang, N. L. TI Optical spectroscopy and ultrafast pump-probe studies on the heavy-fermion compound CePt2In7 SO PHYSICAL REVIEW B LA English DT Article ID SINGLE-CRYSTAL; SUPERCONDUCTIVITY; CE3PDIN11; CE2PDIN8; CEIN3 AB We report optical spectroscopy and ultrafast pump-probe measurements on the antiferromagnetic heavy-fermion compound CePt2In7, a member showing stronger two dimensionality than other compounds in the CeIn3-derived heavy-fermion family. We identify clear and typical hybridization spectral structures at low temperature from the two different spectroscopy probes. However, the strength and related energy scale of the hybridization are much weaker and smaller than that in the superconducting compounds CeCoIn5 and CeIrIn5. The features are more similar to observations on the antiferromagnetic compounds CeIn3 and CeRhIn5 in the same family. The results clearly indicate that the Kondo interaction and hybridizations exist in the antiferromagnetic compounds but with weaker strength. C1 [Chen, R. Y.; Zhang, S. J.; Wang, N. L.] Peking Univ, Sch Phys, Int Ctr Quantum Mat, Beijing 100871, Peoples R China. [Bauer, E. D.; Thompson, J. D.] Los Alamos Natl Lab, MS E536, Los Alamos, NM 87545 USA. [Wang, N. L.] Collaborat Innovat Ctr Quantum Matter, Beijing, Peoples R China. RP Chen, RY (reprint author), Peking Univ, Sch Phys, Int Ctr Quantum Mat, Beijing 100871, Peoples R China. OI Bauer, Eric/0000-0003-0017-1937 FU National Science Foundation of China [11120101003, 11327806]; 973 project of the Ministry of Science and Technology of China [2012CB821403]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering FX This work was supported by the National Science Foundation of China (11120101003, 11327806) and the 973 project of the Ministry of Science and Technology of China (2012CB821403). Work at Los Alamos was performed under the auspices of the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. NR 32 TC 0 Z9 0 U1 14 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 29 PY 2016 VL 94 IS 3 AR 035161 DI 10.1103/PhysRevB.94.035161 PG 6 WC Physics, Condensed Matter SC Physics GA DT4XD UT WOS:000381483800001 ER PT J AU Fente, A Herrera, E Guillamon, I Suderow, H Manas-Valero, S Galbiati, M Coronado, E Kogan, VG AF Fente, A. Herrera, E. Guillamon, I. Suderow, H. Manas-Valero, S. Galbiati, M. Coronado, E. Kogan, V. G. TI Field dependence of the vortex core size probed by scanning tunneling microscopy SO PHYSICAL REVIEW B LA English DT Article ID DENSITY-OF-STATES; II SUPERCONDUCTORS; SPECTROSCOPY; EQUATION; MODEL; TIPS; LINE AB We study the spatial distribution of the density of states (DOS) at zero bias N(r) in the mixed state of single and multigap superconductors. We provide an analytic expression for N(r) based on deGennes' relationship between DOS and the order parameter that reproduces well scanning tunneling microscopy (STM) data in several superconducting materials. In the single gap superconductor beta-Bi2Pd, we find that N(r) is governed by a length scale xi(H) = root phi(0)/2 pi H, which decreases in rising fields. The vortex core size C, defined via the slope of the order parameter at the vortex center, C proportional to (d Delta/d vertical bar(r -> 0))(-1), differs from xi(H) by a material dependent numerical factor. The new data on the tunneling conductance and vortex lattice of the 2H-NbSe1.8S0.2 show the in-plane isotropic vortices, suggesting that substitutional scattering removes the in-plane anisotropy found in the two-gap superconductor 2H-NbSe2. We fit the tunneling conductance of 2H-NbSe1.8S0.2 to a two gap model and calculate the vortex core size C for each band. We find that C is field independent and has the same value for both bands. We also analyze the two-band superconductor 2H-NbS2 and find the same result. We conclude that, independently of the magnetic field induced variation of the order parameter values in both bands, the spatial variation of the order parameter close to the vortex core is the same for all bands. C1 [Fente, A.; Herrera, E.; Guillamon, I.; Suderow, H.] Univ Autonoma Madrid, Lab Bajas Temperaturas, Dept Fis Mat Condensada, Inst Ciencia Mat Nicolas Cabrera, E-28049 Madrid, Spain. [Fente, A.; Herrera, E.; Guillamon, I.; Suderow, H.] Univ Autonoma Madrid, Condensed Matter Phys Ctr IFIMAC, E-28049 Madrid, Spain. [Fente, A.; Herrera, E.; Guillamon, I.; Suderow, H.] UAM, CSIC, Unidad Asociada Bajas Temperaturas & Altos Campos, Madrid, Spain. [Manas-Valero, S.; Galbiati, M.; Coronado, E.] Univ Valencia, Inst Ciencia Mol ICMol, Catedrat Jose Beltran 2, Paterna 46980, Spain. [Kogan, V. G.] US DOE, Ames Lab, Ames, IA 50011 USA. RP Suderow, H (reprint author), Univ Autonoma Madrid, Lab Bajas Temperaturas, Dept Fis Mat Condensada, Inst Ciencia Mat Nicolas Cabrera, E-28049 Madrid, Spain.; Suderow, H (reprint author), Univ Autonoma Madrid, Condensed Matter Phys Ctr IFIMAC, E-28049 Madrid, Spain.; Suderow, H (reprint author), UAM, CSIC, Unidad Asociada Bajas Temperaturas & Altos Campos, Madrid, Spain.; Kogan, VG (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM hermann.suderow@uam.es; kogan@ameslab.gov RI Manas-Valero, Samuel/F-8538-2016 OI Manas-Valero, Samuel/0000-0001-6319-9238 FU Spanish Ministry of Economy and Competitiveness [FIS2014-54498-R, MAT2014-56143-R, MDM-2014-0377, MDM2015-0538]; Spanish Ministry of Economy and Competitiveness (Network of Excellence in Molecular Nanoscience) [MAT2014-52919-REDC]; Comunidad de Madrid through program Nanofrontmag-CM [S2013/MIT-2850]; Generalidad Valenciana through program Prometeo; EU [Cost MP-1201, COST CA-15128]; COLCIENCIAS Programa Doctorados en el Exterior Convocatoria [568-2012]; S.M. of MECD [FPU14/04407]; European Union Horizon Marie Curie Actions under the project SPIN2D [H2020/2014-659378]; Axa Research Fund [FP7-PEOPLE-2013-CIG 618321]; European Research Council [679080]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. DOE [DE-AC02-07CH11358] FX Discussions with S. Vieira, L. Bulaevskii, J. Kirtley, M. Milosevic, R. Prozorov, and S. Bud'ko are gratefully appreciated. We would like to acknowledge Paul Canfield for fostering discussions between Ames and Madrid and for convincingly sharing his view about the relevance of high quality single crystal growth. The work was supported by the Spanish Ministry of Economy and Competitiveness (FIS2014-54498-R, MAT2014-56143-R, MDM-2014-0377, and MDM2015-0538, Network of Excellence in Molecular Nanoscience MAT2014-52919-REDC), by the Comunidad de Madrid through program Nanofrontmag-CM (S2013/MIT-2850), the Generalidad Valenciana through program Prometeo, and by EU (Cost MP-1201 and COST CA-15128). E.H. acknowledges support of COLCIENCIAS Programa Doctorados en el Exterior Convocatoria 568-2012 and S.M. of MECD: FPU14/04407. M.G. acknowledges the European Union Horizon 2020 Marie Curie Actions under the project SPIN2D (H2020/2014-659378). We acknowledge SEGAINVEX-workshop of UAM and Banco Santander. The work of I.G. receives support from Axa Research Fund, FP7-PEOPLE-2013-CIG 618321 and the European Research Council (Grant No. 679080). Work of V.K. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. The Ames Laboratory is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. NR 37 TC 2 Z9 2 U1 17 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 29 PY 2016 VL 94 IS 1 AR 014517 DI 10.1103/PhysRevB.94.014517 PG 9 WC Physics, Condensed Matter SC Physics GA DT4VC UT WOS:000381478300004 ER PT J AU Bae, KJ Chen, CR Hamaguchi, K Low, I AF Bae, Kyu Jung Chen, Chuan-Ren Hamaguchi, Koichi Low, Ian TI From the 750 GeV diphoton resonance to multilepton excesses SO PHYSICAL REVIEW D LA English DT Article ID ELECTROWEAK SYMMETRY-BREAKING; HIGGS-BOSON; STANDARD MODEL; ATLAS DETECTOR; DARK-MATTER; MUON G-2; F-THEORY; LHC; PHENOMENOLOGY; EXTENSION AB Weakly coupled models for the 750 GeV diphoton resonance often invoke new particles carrying both color and/or electric charges to mediate loop-induced couplings of the resonance to two gluons and two photons. The new colored particles may not be stable and could decay into final states containing standard model particles. We consider an electroweak doublet of vectorlike quarks (VLQs) carrying electric charges of 5/3 and 2/3, respectively, which mediate the loop-induced couplings of the 750 GeV resonance. If the VLQ has a mass at around 1 TeV, it naturally gives rise to the observed diphoton signal strength while all couplings remain perturbative up to a high scale. At the same time, if the charge-5/3 VLQ decays into final states containing top quark and W boson, it would contribute to the multilepton excesses observed in both run 1 and run 2 data. It is also possible to incorporate a dark matter candidate in the decay final states to explain the observed relic density. C1 [Bae, Kyu Jung; Hamaguchi, Koichi] Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. [Chen, Chuan-Ren] Natl Taiwan Normal Univ, Dept Phys, Taipei 116, Taiwan. [Hamaguchi, Koichi] Univ Tokyo, Kavli Inst Phys & Math Universe, Kashiwa, Chiba 2778583, Japan. [Low, Ian] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Low, Ian] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Bae, KJ (reprint author), Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. FU National Science Foundation [NSF PHY11-25915]; World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; U.S. Department of Energy [DE-AC02-06CH11357, DE-SC 0010143]; National Science Council of Taiwan, Republic of China [NSC 102-2112-M-003-001-MY3]; [26104001]; [26104009]; [26247038]; [26800123]; [16H02189] FX The authors are grateful to the workshop "Beyond the Standard Model in Okinawa 2016," March 1-8, 2016, OIST, Okinawa, Japan, where this work was initiated. I. L. acknowledges helpful discussions with Bill Murray and the hospitality of KITP in Santa Barbara, which is supported by the National Science Foundation under Grant No. NSF PHY11-25915. This work was supported in part by Grants-in-Aid for Scientific Research (No. 26104001, No. 26104009, No. 26247038, No. 26800123, and No. 16H02189), a World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan, the U.S. Department of Energy under Contracts No. DE-AC02-06CH11357 and No. DE-SC 0010143, and the National Science Council of Taiwan, Republic of China, under Grant No. NSC 102-2112-M-003-001-MY3. NR 147 TC 2 Z9 2 U1 4 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 29 PY 2016 VL 94 IS 1 AR 015035 DI 10.1103/PhysRevD.94.015035 PG 10 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DT5AD UT WOS:000381492000003 ER PT J AU Campbell, JM Ellis, RK Li, Y Williams, C AF Campbell, John M. Ellis, R. Keith Li, Ye Williams, Ciaran TI Predictions for diphoton production at the LHC through NNLO in QCD SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE NLO Computations; QCD Phenomenology ID PROMPT PHOTON PRODUCTION; TO-LEADING ORDER; P(P)OVER-BAR COLLISIONS; TRANSVERSE-MOMENTUM; CROSS-SECTIONS; HADRON COLLIDERS; BOSON PRODUCTION; PAIR PRODUCTION; ZZ PRODUCTION; HIGGS-BOSON AB In this paper we present a next-to-next-to-leading order (NNLO) calculation of the process pp -> gamma gamma that we have implemented into the parton level Monte Carlo code MCFM. We do not find agreement with the previous calculation of this process in the literature. In addition to the O(alpha(2)(s)) corrections present at NNLO, we include some effects arising at O (alpha(3)(s)), namely those associated with gluon-initiated closed fermion loops. We investigate the role of this process in the context of studies of QCD at colliders and as a background for searches for new physics, paying particular attention to the diphoton invariant mass spectrum. We demonstrate that the NNLO QCD prediction for the shape of this spectrum agrees well with functional forms used in recent data-driven fits. C1 [Campbell, John M.; Li, Ye] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Ellis, R. Keith] Univ Durham, Dept Phys, Inst Particle Phys Phenomenol, Durham DH1 3LE, England. [Williams, Ciaran] SUNY Buffalo, Univ Buffalo, Dept Phys, Buffalo, NY 14260 USA. RP Campbell, JM (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM johnmc@fnal.gov; keith.ellis@durham.ac.uk; yli32@fnal.gov; ciaranwi@buffalo.edu FU US DOE [DE-AC02-07CH11359]; Center for Computational Research at the University at Buffalo FX We thank Felix Yu for providing us with an extraction of the ATLAS diphoton invariant mass spectrum. JC is grateful to the Fermilab computing sector for providing access to the Accelerator Simulations Cluster. Fermilab is supported by the US DOE under contract DE-AC02-07CH11359. Support provided by the Center for Computational Research at the University at Buffalo. NR 86 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUL 29 PY 2016 IS 7 AR 148 DI 10.1007/JHEP07(2016)148 PG 29 WC Physics, Particles & Fields SC Physics GA DT7IH UT WOS:000381659800002 ER PT J AU Shen, CC Shi, Y Ni, YY Deng, Y Van Nostrand, JD He, ZL Zhou, JZ Chu, HY AF Shen, Congcong Shi, Yu Ni, Yingying Deng, Ye Van Nostrand, Joy D. He, Zhili Zhou, Jizhong Chu, Haiyan TI Dramatic Increases of Soil Microbial Functional Gene Diversity at the Treeline Ecotone of Changbai Mountain SO Frontiers in Microbiology LA English DT Article DE metagenomics; GeoChip; microbial functional genes; bacterial taxonomic and phylogenetic diversity; alpha and beta diversity patterns; treeline ecotone; elevation gradient; soil dissolved organic carbon ID BACTERIAL COMMUNITY STRUCTURE; DISSOLVED ORGANIC-MATTER; ALTITUDINAL GRADIENT; ELEVATIONAL GRADIENT; CONTINENTAL-SCALE; NORTHEAST CHINA; TIBETAN PLATEAU; FOREST SOILS; BIOGEOGRAPHY; PATTERNS AB The elevational and latitudinal diversity patterns of microbial taxa have attracted great attention in the past decade. Recently, the distribution of functional attributes has been in the spotlight. Here, we report a study profiling soil microbial communities along an elevation gradient (500-2200 m) on Changbai Mountain. Using a comprehensive functional gene microarray (GeoChip 5.0), we found that microbial functional gene richness exhibited a dramatic increase at the treeline ecotone, but the bacterial taxonomic and phylogenetic diversity based on 16S rRNA gene sequencing did not exhibit such a similar trend. However, the beta-diversity (compositional dissimilarity among sites) pattern for both bacterial taxa and functional genes was similar, showing significant elevational distance-decay patterns which presented increased dissimilarity with elevation. The bacterial taxonomic diversity/structure was strongly influenced by soil pH, while the functional gene diversity/structure was significantly correlated with soil dissolved organic carbon (DOC). This finding highlights that soil DOC may be a good predictor in determining the elevational distribution of microbial functional genes. The finding of significant shifts in functional gene diversity at the treeline ecotone could also provide valuable information for predicting the responses of microbial functions to climate change. C1 [Shen, Congcong; Shi, Yu; Ni, Yingying; Chu, Haiyan] Chinese Acad Sci, Inst Soil Sci, State Key Lab Soil & Sustainable Agr, Nanjing, Jiangsu, Peoples R China. [Shen, Congcong] Chinese Acad Sci, Ecoenvironm Sci Res Ctr, State Key Lab Urban & Reg Ecol, Beijing, Peoples R China. [Shen, Congcong] Univ Chinese Acad Sci, Beijing, Peoples R China. [Deng, Ye] Chinese Acad Sci, Ecoenvironm Sci Res Ctr, CAS Key Lab Environm Biotechnol, Beijing, Peoples R China. [Van Nostrand, Joy D.; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Van Nostrand, Joy D.; He, Zhili; Zhou, Jizhong] Univ Oklahoma, Dept Microbiol & Plant Pathol, Norman, OK 73019 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Lab Environm Simulat & Pollut Control, Beijing, Peoples R China. [Zhou, Jizhong] Lawrence Berkeley Natl Lab, Earth & Environm Sci, Berkeley, CA USA. RP Chu, HY (reprint author), Chinese Acad Sci, Inst Soil Sci, State Key Lab Soil & Sustainable Agr, Nanjing, Jiangsu, Peoples R China. EM hychu@issas.ac.cn OI ?, ?/0000-0002-7584-0632 FU National Natural Science Foundation of China [41371254]; National Program on Key Basic Research Project [2014CB954002]; Strategic Priority Research Program of Chinese Academy of Sciences [XDB15010101, XDB15010302]; Plan and Frontiers Projects of Institute of Soil Science [ISSASIP1641]; National Basic Research Program of China [2015FY110100]; State Key Laboratory of Forest and Soil Ecology [LESE2014-02]; China Scholarship Council (CSC) FX This work was supported by the National Natural Science Foundation of China (41371254), the National Program on Key Basic Research Project (2014CB954002), the Strategic Priority Research Program (XDB15010101, XDB15010302) of Chinese Academy of Sciences, Plan and Frontiers Projects of Institute of Soil Science (ISSASIP1641), the National Basic Research Program of China (2015FY110100), and the State Key Laboratory of Forest and Soil Ecology (LESE2014-02). CS was also supported by the China Scholarship Council (CSC). NR 67 TC 0 Z9 0 U1 23 U2 36 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JUL 29 PY 2016 VL 7 AR 1184 DI 10.3389/fmicb.2016.01184 PG 12 WC Microbiology SC Microbiology GA DS2XC UT WOS:000380646200001 PM 27524983 ER PT J AU Asadi, M Kim, K Liu, C Addepalli, AV Abbasi, P Yasaei, P Phillips, P Behranginia, A Cerrato, JM Haasch, R Zapol, P Kumar, B Klie, RF Abiade, J Curtiss, LA Salehi-Khojin, A AF Asadi, Mohammad Kim, Kibum Liu, Cong Addepalli, Aditya Venkata Abbasi, Pedram Yasaei, Poya Phillips, Patrick Behranginia, Amirhossein Cerrato, Jose M. Haasch, Richard Zapol, Peter Kumar, Bijandra Klie, Robert F. Abiade, Jeremiah Curtiss, Larry A. Salehi-Khojin, Amin TI Nanostructured transition metal dichalcogenide electrocatalysts for CO2 reduction in ionic liquid SO SCIENCE LA English DT Article ID HYDROGEN EVOLUTION REACTION; OXYGEN-EVOLVING CATALYST; CARBON-DIOXIDE REDUCTION; ACTIVE EDGE SITES; AU NANOPARTICLES; SELECTIVE CONVERSION; AQUEOUS CO2; IN-SITU; FILMS; WATER AB Conversion of carbon dioxide ( CO2) into fuels is an attractive solution to many energy and environmental challenges. However, the chemical inertness of CO2 renders many electrochemical and photochemical conversion processes inefficient. We report a transition metal dichalcogenide nanoarchitecture for catalytic electrochemical CO2 conversion to carbon monoxide ( CO) in an ionic liquid. We found that tungsten diselenide nanoflakes show a current density of 18.95 milliamperes per square centimeter, CO faradaic efficiency of 24%, and CO formation turnover frequency of 0.28 per second at a low overpotential of 54 millivolts. We also applied this catalyst in a light-harvesting artificial leaf platform that concurrently oxidized water in the absence of any external potential. C1 [Asadi, Mohammad; Kim, Kibum; Addepalli, Aditya Venkata; Abbasi, Pedram; Yasaei, Poya; Behranginia, Amirhossein; Kumar, Bijandra; Abiade, Jeremiah; Salehi-Khojin, Amin] Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. [Kim, Kibum] Chungbuk Natl Univ, Dept Mech Engn, Cheongju 361763, South Korea. [Liu, Cong; Zapol, Peter; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Phillips, Patrick; Klie, Robert F.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [Cerrato, Jose M.] Univ New Mexico, Dept Civil Engn, Albuquerque, NM 87131 USA. [Haasch, Richard] Univ Illinois, Mat Res Lab, Urbana, IL 61801 USA. [Kumar, Bijandra] Univ Louisville, Conn Ctr Renewable Energy Res, Louisville, KY 40292 USA. RP Salehi-Khojin, A (reprint author), Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA.; Curtiss, LA (reprint author), Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM curtiss@anl.gov; salehikh@uic.edu OI Liu, Cong/0000-0002-2145-5034 FU NSF [CBET-1512647]; MRSEC Materials Preparation and Measurement Laboratory shared user facility at the University of Chicago [NSF-DMR-1420709]; EPIC facility (NUANCE Center-Northwestern University); MRSEC program at the Materials Research Center [NSF-DMR-1121262]; Nanoscale Science and Engineering Center at the International Institute for Nanotechnology [NSF EEC-0647560]; State of Illinois through the International Institute for Nanotechnology; U.S. Department of Energy from the Division of Materials Science and Engineering, Basic Energy Science [DE-AC0206CH11357] FX Supported by NSF grant CBET-1512647 (A.S.-K.); the MRSEC Materials Preparation and Measurement Laboratory shared user facility at the University of Chicago (grant NSF-DMR-1420709); the EPIC facility (NUANCE Center-Northwestern University), which has received support from the MRSEC program (grant NSF-DMR-1121262) at the Materials Research Center; the Nanoscale Science and Engineering Center (NSF EEC-0647560) at the International Institute for Nanotechnology; and the State of Illinois through the International Institute for Nanotechnology. The work at Argonne National Laboratory was supported by the U.S. Department of Energy under contract DE-AC0206CH11357 from the Division of Materials Science and Engineering, Basic Energy Science (P.Z., C.L., and L.A.C.). The authors also acknowledge Analytical Chemistry Laboratory of the Earth and Planetary Sciences Department, University of New Mexico. NR 33 TC 19 Z9 19 U1 164 U2 293 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JUL 29 PY 2016 VL 353 IS 6298 BP 467 EP 470 DI 10.1126/science.aaf4767 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS2HC UT WOS:000380583600035 PM 27471300 ER PT J AU Kelly, WJ Cookson, AL Altermann, E Lambie, SC Perry, R Teh, KH Otter, DE Shapiro, N Woyke, T Leahy, SC AF Kelly, William J. Cookson, Adrian L. Altermann, Eric Lambie, Suzanne C. Perry, Rechelle Teh, Koon Hoong Otter, Don E. Shapiro, Nicole Woyke, Tanja Leahy, Sinead C. TI Genomic analysis of three Bifidobacterium species isolated from the calf gastrointestinal tract SO Scientific Reports LA English DT Article ID ALPHA-N-ACETYLGALACTOSAMINIDASE; SORTASE-DEPENDENT PILI; BIFIDUM PRL2010; GUT MICROBIOTA; BILE RESISTANCE; LACTIS BL-04; COMB-NOV; IDENTIFICATION; LONGUM; MILK AB Ruminant animals contribute significantly to the global value of agriculture and rely on a complex microbial community for efficient digestion. However, little is known of how this microbial-host relationship develops and is maintained. To begin to address this, we have determined the ability of three Bifidobacterium species isolated from the faeces of newborn calves to grow on carbohydrates typical of a newborn ruminant diet. Genome sequences have been determined for these bacteria with analysis of the genomes providing insights into the host association and identification of several genes that may mediate interactions with the ruminant gastrointestinal tract. The present study provides a starting point from which we can define the role of potential beneficial microbes in the nutrition of young ruminants and begin to influence the interactions between the microbiota and the host. The differences observed in genomic content hint at niche partitioning among the bifidobacterial species analysed and the different strategies they employ to successfully adapt to this habitat. C1 [Kelly, William J.; Cookson, Adrian L.; Altermann, Eric; Lambie, Suzanne C.; Perry, Rechelle; Teh, Koon Hoong; Otter, Don E.; Leahy, Sinead C.] AgResearch Ltd, Grasslands Res Ctr, Palmerston North, New Zealand. [Shapiro, Nicole; Woyke, Tanja] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. RP Leahy, SC (reprint author), AgResearch Ltd, Grasslands Res Ctr, Palmerston North, New Zealand. EM Sinead.leahy@agresearch.co.nz FU AgResearch PreSeed [A19573]; New Zealand Government - Livestock Research Group of the Global Research Alliance on Agricultural Greenhouse Gases; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by AgResearch PreSeed Contract No. A19573. The Hungate 1000 project is funded by the New Zealand Government in support of the Livestock Research Group of the Global Research Alliance on Agricultural Greenhouse Gases. The work conducted by the U.S. Department of Energy Joint Genome Institute, a DOE Office of Science User Facility, is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors would like to thank Stephen and Mary Barr for access to their farm and support of this research. NR 60 TC 0 Z9 0 U1 8 U2 14 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 29 PY 2016 VL 6 AR 30768 DI 10.1038/srep30768 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS3BQ UT WOS:000380658300001 PM 27468806 ER PT J AU Moussavi-Baygi, R Mofrad, MRK AF Moussavi-Baygi, R. Mofrad, M. R. K. TI Rapid Brownian Motion Primes Ultrafast Reconstruction of Intrinsically Disordered Phe-Gly Repeats Inside the Nuclear Pore Complex SO SCIENTIFIC REPORTS LA English DT Article ID MESSENGER-RNA EXPORT; PERMEABILITY BARRIER; SINGLE-MOLECULE; NUCLEOCYTOPLASMIC TRANSPORT; PROTEIN; NUCLEOPORINS; TRANSLOCATION; DYNAMICS; ARCHITECTURE; MODEL AB Conformational behavior of intrinsically disordered proteins, such as Phe-Gly repeat domains, alters drastically when they are confined in, and tethered to, nan channels. This has challenged our understanding of how they serve to selectively facilitate translocation of nuclear transport receptor (NTR)-bearing macromolecules. Heterogeneous FG-repeats, tethered to the NPC interior, nonuniformly fill the channel in a diameter-dependent manner and adopt a rapid Brownian motion, thereby forming a porous and highly dynamic polymeric meshwork that percolates in radial and axial directions and features two distinguishable zones: a dense hydrophobic rod-like zone located in the center, and a peripheral low-density shell-like zone. The FG-meshwork is locally disrupted upon interacting with NTR-bearing macromolecules, but immediately reconstructs itself between 0.44 mu s and 7.0 mu s, depending on cargo size and shape. This confers a perpetually-sealed state to the NPC, and is solely due to rapid Brownian motion of FG-repeats, not FG-repeat hydrophobic bonds. Elongated-shaped macromolecules, both in the presence and absence of NTRs, penetrate more readily into the FG-meshwork compared to their globular counterparts of identical volume and surface chemistry, highlighting the importance of the shape effects in nucleocytoplasmic transport. These results can help our understanding of geometrical effects in, and the design of, intelligent and responsive biopolymer-based materials in nanofiltration and artificial nanopores. C1 [Moussavi-Baygi, R.; Mofrad, M. R. K.] Univ Calif Berkeley, Dept Bioengn, Mol Cell Biomech Lab, Berkeley, CA 94720 USA. [Moussavi-Baygi, R.; Mofrad, M. R. K.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Mofrad, M. R. K.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrat Bioimaging Div, Berkeley, CA 94720 USA. RP Mofrad, MRK (reprint author), Univ Calif Berkeley, Dept Bioengn, Mol Cell Biomech Lab, Berkeley, CA 94720 USA.; Mofrad, MRK (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA.; Mofrad, MRK (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrat Bioimaging Div, Berkeley, CA 94720 USA. EM mofrad@berkeley.edu NR 69 TC 3 Z9 3 U1 4 U2 4 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 29 PY 2016 VL 6 AR 29991 DI 10.1038/srep29991 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS2TC UT WOS:000380635500001 PM 27470900 ER PT J AU Stegen, JC Konopka, A McKinley, JP Murray, C Lin, XJ Miller, MD Kennedy, DW Miller, EA Resch, CT Fredrickson, JK AF Stegen, James C. Konopka, Allan McKinley, James P. Murray, Chris Lin, Xueju Miller, Micah D. Kennedy, David W. Miller, Erin A. Resch, Charles T. Fredrickson, Jim K. TI Coupling among Microbial Communities, Biogeochemistry, and Mineralogy across Biogeochemical Facies SO Scientific Reports LA English DT Article ID HANFORD 300 AREA; BACTERIAL COMMUNITIES; AQUIFER CHARACTERIZATION; SUBSURFACE SEDIMENT; DEPOSITIONAL FACIES; MIDDENDORF AQUIFER; ASSEMBLY PROCESSES; RINGOLD FORMATION; SPECIES RICHNESS; FIELD EXPERIMENT AB Physical properties of sediments are commonly used to define subsurface lithofacies and these same physical properties influence subsurface microbial communities. This suggests an (unexploited) opportunity to use the spatial distribution of facies to predict spatial variation in biogeochemically relevant microbial attributes. Here, we characterize three biogeochemical facies-oxidized, reduced, and transition-within one lithofacies and elucidate relationships among facies features and microbial community biomass, richness, and composition. Consistent with previous observations of biogeochemical hotspots at environmental transition zones, we find elevated biomass within a biogeochemical facies that occurred at the transition between oxidized and reduced biogeochemical facies. Microbial richness-the number of microbial taxa-was lower within the reduced facies and was well-explained by a combination of pH and mineralogy. Null modeling revealed that microbial community composition was influenced by ecological selection imposed by redox state and mineralogy, possibly due to effects on nutrient availability or transport. As an illustrative case, we predict microbial biomass concentration across a three-dimensional spatial domain by coupling the spatial distribution of subsurface biogeochemical facies with biomass-facies relationships revealed here. We expect that merging such an approach with hydro-biogeochemical models will provide important constraints on simulated dynamics, thereby reducing uncertainty in model predictions. C1 [Stegen, James C.; Konopka, Allan; McKinley, James P.; Murray, Chris; Lin, Xueju; Miller, Micah D.; Kennedy, David W.; Miller, Erin A.; Resch, Charles T.; Fredrickson, Jim K.] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Stegen, JC (reprint author), Pacific Northwest Natl Lab, Richland, WA 99352 USA. EM james.stegen@pnnl.gov RI Stegen, James/Q-3078-2016 OI Stegen, James/0000-0001-9135-7424 FU Linus Pauling Distinguished Postdoctoral Fellowship program at PNNL; Subsurface Biogeochemical Research Program (SBR), Office of Biological and Environmental Research (OBER), US DOE FX This research was supported by the Subsurface Biogeochemical Research Program (SBR), Office of Biological and Environmental Research (OBER), US DOE; and is a contribution of the PNNL Scientific Focus Area (SFA). A portion of the research described in this paper was conducted under the Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL), a multiprogram national laboratory operated by Battelle for the U.S. Department of Energy. JC Stegen is grateful for the support of the Linus Pauling Distinguished Postdoctoral Fellowship program at PNNL. A portion of the research was performed using Institutional Computing at PNNL. We thank Andy Plymale for help during sample collection and Bruce Bjornstad for his efforts to characterize the field site. NR 71 TC 0 Z9 0 U1 12 U2 17 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 29 PY 2016 VL 6 AR 30553 DI 10.1038/srep30553 PG 14 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS2WG UT WOS:000380644000001 PM 27469056 ER PT J AU Liu, YH Barbour, A Komanicky, V You, H AF Liu, Yihua Barbour, Andi Komanicky, Vladimir You, Hoydoo TI X-ray Crystal Truncation Rod Studies of Surface Oxidation and Reduction on Pt(111) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID ENERGY-ELECTRON-DIFFRACTION; IN-SITU; SCATTERING; WATER; INTERFACE; REFLECTIVITY; ADSORPTION; AU(111); OXYGEN; ELECTROCHEMISTRY AB We present X-ray crystal truncation rods measurements of Pt(111) surface under electrochemical conditions. Analyses of crystal truncation rods reveal that surface oxide formation buckles the top surface layer of platinum to two different heights at the potential (0.95 V vs RHE) below the so-called place-exchange potential. While the anti-Bragg intensity, sensitive to the top surface layer, drops in response to the anodic charge transfers, its responses to the cathodic charge transfers are significantly delayed. Implications to the surface oxidation and reduction behaviors are discussed. C1 [Liu, Yihua; Barbour, Andi; You, Hoydoo] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Komanicky, Vladimir] Safarik Univ, Fac Sci, Kosice 04154, Slovakia. [Barbour, Andi] Brookhaven Natl Lab, Natl Synchrotron Light Source 2, Upton, NY 11973 USA. RP You, H (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM hyou@anl.gov FU U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Materials Sciences and Engineering Division; DOE BES Scientific User Facilities Division [DE-AC02-06CH11357]; Slovak grant [VEGA 1/0782/12]; ERDF EU grant [ITMS 26220120047] FX The work was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences (BES), Materials Sciences and Engineering Division and use of the APS by DOE BES Scientific User Facilities Division, under Contract No. DE-AC02-06CH11357. The work at Safarik University was supported by Slovak grant VEGA 1/0782/12 and ERDF EU grant under contract ITMS 26220120047. NR 29 TC 2 Z9 2 U1 16 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 28 PY 2016 VL 120 IS 29 BP 16174 EP 16178 DI 10.1021/acs.jpcc.6b00492 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS4EX UT WOS:000380735300072 ER PT J AU Khachatryan, V Sirunyan, AM Tumasyan, A Adam, W Asilar, E Bergauer, T Brandstetter, J Brondolin, E Dragicevic, M Ero, J Flechl, M Friedl, M Fruehwirth, R Ghete, VM Hartl, C Hormann, N Hrubec, J Jeitler, M Konig, A Kratschmer, I Liko, D Matsushita, T Mikulec, I Rabady, D Rad, N Rahbaran, B Rohringer, H Schieck, J Strauss, J Treberer-Treberspurg, W Waltenberger, W Wulz, CE Mossolov, V Shumeiko, N Gonzalez, JS Alderweireldt, S De Wolf, EA Janssen, X Lauwers, J De Klundert, MV Van Haevermaet, H Van Mechelen, P Van Remortel, N Van Spilbeeck, A Abu Zeid, S Blekman, F D'Hondt, J Daci, N De Bruyn, I Deroover, K Heracleous, N Lowette, S Moortgat, S Moreels, L Olbrechts, A Python, Q Tavernier, S Van Doninck, W Van Mulders, P Van Parijs, I Brun, H Caillol, C Clerbaux, B De Lentdecker, G Delannoy, H Fasanella, G Favart, L Goldouzian, R Grebenyuk, A Karapostoli, G Lenzi, T Leonard, A Luetic, J Maerschalk, T Marinov, A Randle-Conde, A Seva, T Velde, CV Vanlaer, P Yonamine, R Zenoni, F Zhang, F Cimmino, A Cornelis, T Dobur, D Fagot, A Garcia, G Gul, M Poyraz, D Salva, S Schofbeck, R Tytgat, M Van Driessche, W Yazgan, E Zaganidis, N Bakhshiansohi, H Beluffi, C Bondu, O Brochet, S Bruno, G Caudron, A De Visscher, S Delaere, C Delcourt, M Francois, B Giammanco, A Jafari, A Jez, P Komm, M Lemaitre, V Magitteri, A Mertens, A Musich, M Nuttens, C Piotrzkowski, K Quertenmont, L Selvaggi, M Wertz, MVMS Wertz, S Beliy, N Alda, WL Alves, FL Alves, GA Brito, L Hensel, C Moraes, A Pol, ME Teles, PR Das Chagas, EBB Carvalho, W Chinellato, J Custodio, A Da Costa, EM Da Silveira, GG Damiao, DD Martins, CD De Souza, SF Guativa, LMH Malbouisson, H Figueiredo, DM Herrera, CM Mundim, L Nogima, H Da Silva, WLP Santoro, A Sznajder, A Manganote, EJT Pereira, AV Ahuja, S Bernardes, CA Dogra, S Tomei, TRFP Gregores, EM Mercadante, PG Moon, CS Novaes, SF Padula, SS Abad, DR Vargas, JCR Aleksandrov, A Hadjiiska, R Iaydjiev, P Rodozov, M Stoykova, S Sultanov, G Vutova, M Dimitrov, A Glushkov, I Litov, L Pavlov, B Petkov, P Fang, W Ahmad, M Bian, JG Chen, GM Chen, HS Chen, M Chen, Y Cheng, T Jiang, CH Leggat, D Liu, Z Romeo, F Shaheen, SM Spiezia, A Tao, J Wang, C Wang, Z Zhang, H Zhao, J Ban, Y Chen, G Li, Q Liu, S Mao, Y Qian, SJ Wang, D Xu, Z Avila, C Cabrera, A Sierra, LFC Florez, C Gomez, JP Hernandez, CFG Alvarez, JDR Sanabria, JC Godinovic, N Lelas, D Puljak, I Cipriano, PMR Sculac, T Antunovic, Z Kovac, M Brigljevic, V Ferencek, D Kadija, K Micanovic, S Sudic, L Susa, T Attikis, A Mavromanolakis, G Mousa, J Nicolaou, C Ptochos, F Razis, PA Rykaczewski, H Finger, M Finger, M Jarrin, EC Assran, Y Elkafrawy, T Mahrous, A Calpas, B Kadastik, M Murumaa, M Perrini, L Raidal, M Tiko, A Veelken, C Eerola, P Pekkanen, J Voutilainen, M Harkonen, J Karimaki, V Kinnunen, R Lampen, T Lassila-Perini, K Lehti, S Linden, T Luukka, P Peltola, T Tuominiemi, J Tuovinen, E Wendland, L Talvitie, J Tuuva, T Besancon, M Couderc, F Dejardin, M Denegri, D Fabbro, B Faure, JL Favaro, C Ferri, F Ganjour, S Ghosh, S Givernaud, A Gras, P de Monchenault, GH Jarry, P Kucher, I Locci, E Machet, M Malcles, J Rander, J Rosowsky, A Titov, M Zghiche, A Abdulsalam, A Antropov, I Baffioni, S Beaudette, F Busson Cadamuro, L Chapon, E Charlot, C Davignon, O de Cassagnac, RG Jo, M Lisniak, S Mine, P Nguyen, M Ochando, C Ortona, G Paganini, P Pigard, P Regnard, S Salerno, R Sirois, Y Strebler, T Yilmaz, Y Zabi, A Agram, JL Andrea, J Aubin, A Bloch, D Brom, JM Buttignol, M Chabert, EC Chanon, N Collard, C Conte, E Coubez, X Fontaine, JC Gele, D Goerlach, U Le Bihan, AC Merlin, JA Skovpen, K Van Hove, P Gadrat, S Beauceron, S Bernet, C Boudoul, G Bouvier, E Montoya, CAC Chierici, R Contardo, D Courbon, B Depasse, P El Mamouni, H Fan, J Fay, J Gascon, S Gouzevitch, M Grenier, G Ille, B Lagarde, F Laktineh, IB Lethuillier, M Mirabito, L Pequegnot, AL Perries, S Popov, A Sabes, D Sordini, V Donckt, MV Verdier, P Viret, S Toriashvili, T Tsamalaidze, Z Autermann, C Beranek, S Feld, L Heister, A Kiesel, MK Klein, K Lipinski, M Ostapchuk, A Preuten, M Raupach, F Schael, S Schomakers, C Schulte, JF Schulz, J Verlage, T Weber, H Zhukov, V Brodski, M Dietz-Laursonn, E Duchardt, D Endres, M Erdmann, M Erdweg, S Esch, T Fischer, R Guth, A Hamer, M Hebbeker, T Heidemann, C Hoepfner, K Knutzen, S Merschmeyer, M Meyer, A Millet, P Mukherjee, S Olschewski, M Padeken, K Pook, T Radziej, M Reithler, H Rieger, M Scheuch, F Sonnenschein, L Teyssier, D Thuer, S Cherepanov, V Flugge, G Ahmad, WH Hoehle, F Kargoll, B Kress, T Kunsken, A Lingemann, J Muller, T Nehrkorn, A Nowack, A Nugent, IM Pistone, C Pooth, O Stahl, A Martin, MA Asawatangtrakuldee, C Beernaert, K Behnke, O Behrens, U Bin Anuar, AA Borras, K Campbell, A Connor, P Contreras-Campana, C Costanza, F Pardos, CD Dolinska, G Eckerlin, G Eckstein, D Eren, E Gallo, E Garcia, JG Geiser, A Gizhko, A Luyando, JMG Gunnellini, P Harb, A Hauk, J Hempel, M Jung, H Kalogeropoulos, A Karacheban, O Kasemann, M Keaveney, J Kieseler, J Kleinwort, C Korol, I Krucker, D Lange, W Lelek, A Leonard, J Lipka, K Lobanov, A Lohmann, W Mankel, R Melzer-Pellmann, IA Meyer, AB Mittag, G Mnich, J Mussgiller, A Ntomari, E Pitzl, D Raspereza, A Roland, B Sahin, MO Saxena, P Schoerner-Sadenius, T Seitz, C Spannagel, S Stefaniuk, N Trippkewitz, KD Van Onsem, GP Walsh, R Wissing, C Blobel, V Vignali, MC Draeger, AR Dreyer, T Garutti, E Gonzalez, D Haller, J Hoffmann, M Junkes, A Klanner, R Kogler, R Kovalchuk, N Lapsien, T Lenz, T Marchesini, I Marconi, D Meyer, M Niedziela, M Nowatschin, D Pantaleo, F Peiffer, T Perieanu, A Poehlsen, J Sander, C Scharf, C Schleper, P Schmidt, A Schumann, S Schwandt, J Stadie, H Steinbruck, G Stober, FM Stover, M Tholen, H Troendle, D Usai, E Vanelderen, L Vanhoefer, A Vormwald, B Barth, C Baus, C Berger, J Butz, E Chwalek, T Colombo, F De Boer, W Dierlamm, A Fink, S Friese, R Giffels, M Gilbert, A Goldenzweig, P Haitz, D Hartmann, F Heindl, SM Husemann, U Katkov, I Pardo, PL Maier, B Mildner, H Mozer, MU Muller, T Plagge, M Quast, G Rabbertz, K Rocker, S Roscher, F Schroder, M Shvetsov, I Sieber, G Simonis, HJ Ulrich, R Wagner-Kuhr, J Wayand, S Weber, M Weiler, T Williamson, S Wohrmann, C Wolf, R Anagnostou, G Daskalakis, G Geralis, T Giakoumopoulou, VA Kyriakis, A Loukas, D Topsis-Giotis, I Agapitos, A Kesisoglou, S Panagiotou, A Saoulidou, N Tziaferi, E Evangelou, I Flouris, G Foudas, C Kokkas, P Loukas, N Manthos, N Papadopoulos, I Paradas, E Filipovic, N Bencze, G Hajdu, C Hidas, P Horvath, D Sikler, F Veszpremi, V Vesztergombi, G Zsigmond, AJ Beni, N Czellar, S Karancsi, J Makovec, A Molnar, J Szillasi, Z Bartok, M Raics, P Trocsanyi, ZL Ujvari, B Bahinipati, S Choudhury, S Mal, P Mandal, K Nayak, A Sahoo, DK Sahoo, N Swain, SK Bansal, S Beri, SB Bhatnagar, V Chawla, R Bhawandeep, U Kalsi, AK Kaur, A Kaur, M Kumar, R Mehta, A Mittal, M Singh, JB Walia, G Kumar, A Bhardwaj, A Choudhary, BC Garg, RB Keshri, S Malhotra, S Naimuddin, M Nishu, N Ranjan, K Sharma, R Sharma, V Bhattacharya, R Bhattacharya, S Chatterjee, K Dey, S Dutt, S Dutta, S Ghosh, S Majumdar, N Modak, A Mondal, K Mukhopadhyay, S Nandan, S Purohit, A Roy, A Roy, D Chowdhury, SR Sarkar, S Sharan, M Thakur, S Behera, PK Chudasama, R Dutta, D Jha, V Kumar, V Mohanty, AK Netrakanti, PK Pant, LM Shukla, P Topkar, A Aziz, T Dugad, S Kole, G Mahakud, B Mitra, S Mohanty, GB Parida, B Sur, N Sutar, B Banerjee, S Bhowmik, S Dewanjee, RK Ganguly, S Guchait, M Jain, S Kumar, S Maity, M Majumder, G Mazumdar, K Sarkar, T Wickramage, N Chauhan, S Dube, S Hegde, V Kapoor, A Kothekar, K Rane, A Sharma, S Behnamian, H Chenarani, S Tadavani, EE Etesami, SM Fahim, A Khakzad, M Najafabadi, MM Naseri, M Mehdiabadi, SP Hosseinabadi, FR Safarzadeh, B Zeinali, M Felcini, M Grunewald, M Abbrescia, M Calabria, C Caputo, C Colaleo, A Creanza, D Cristella, L De Filippis, N De Palma, M Fiore, L Iaselli, G Maggi, G Maggi, M Miniello, G My, S Nuzzo, S Pompili, A Pugliese, G Radogna, R Ranieri, A Selvaggi, G Silvestris, L Venditti, R Verwilligen, P Abbiendi, G Battilana, C Bonacorsi, D Braibant-Giacomelli, S Brigliadori, L Campanini, R Capiluppi, P Castro, A Cavallo, FR Chhibra, SS Codispoti, G Cuffiani, M Dallavalle, GM Fabbri, F Fanfani, A Fasanella, D Giacomelli, P Grandi, C Guiducci, L Marcellini, S Masetti, G Montanari, A Navarria, FL Perrotta, A Rossi, AM Rovelli, T Siroli, GP Tosi, N Albergo, S Chiorboli, M Costa, S Di Mattia, A Giordano, F Potenza, R Tricomi, A Tuve, C Barbagli, G Ciulli, V Civinini, C D'Alessandro, R Focardi, E Gori, V Lenzi, P Meschini, M Paoletti, S Sguazzoni, G Viliani, L Benussi, L Bianco, S Fabbri, F Piccolo, D Primavera, F Calvelli, V Ferro, F Lo Vetere, M Monge, MR Robutti, E Tosi, S Brianza, L Dinardo, ME Fiorendi, S Gennai, S Ghezzi, A Govoni, P Malberti, M Malvezzi, S Manzoni, RA Marzocchi, B Menasce, D Moroni, L Paganoni, M Pedrini, D Pigazzini, S Ragazzi, S de Fatis, TT Buontempo, S Cavallo, N De Nardo, G Di Guida, S Esposito, M Fabozzi, F Iorio, AOM Lanza, G Lista, L Meola, S Paolucci, P Sciacca, C Thyssen, F Azzi, P Bacchetta, N Benato, L Bisello, D Boletti, A Carlin, R De Oliveira, ACA Checchia, P Dall'Osso, M Manzano, PDC Dorigo, T Dosselli, U Gasparini, F Gasparini, U Gozzelino, A Lacaprara, S Margoni, M Meneguzzo, AT Pazzini, J Pozzobon, N Ronchese, P Simonetto, F Torassa, E Zanetti, M Zotto, P Zucchetta, A Zumerle, G Braghieri, A Magnani, A Montagna, P Ratti, SP Re, V Riccardi, C Salvini, P Vai, I Vitulo, P Solestizi, LA Bilei, GM Ciangottini, D Fano, L Lariccia, P Leonardi, R Mantovani, G Menichelli, M Saha, A Santocchia, A Androsov, K Azzurri, P Bagliesi, G Bernardini, J Boccali, T Castaldi, R Ciocci, MA Dell'Orso, R Donato, S Fedi, G Giassi, A Grippo, MT Ligabue, F Lomtadze, T Martini, L Messineo, A Palla, F Rizzi, A Savoy-Navarro, A Spagnolo, P Tenchini, R Tonelli, G Venturi, A Verdini, PG Barone, L Cavallari, F Cipriani, M D'imperio, G Del Re, D Diemoz, M Gelli, S Jorda, C Longo, E Margaroli, F Meridiani, P Organtini, G Paramatti, R Preiato, F Rahatlou, S Rovelli, C Santanastasio, F Amapane, N Arcidiacono, R Argiro, S Arneodo, M Bartosik, N Bellan, R Biino, C Cartiglia, N Cenna, F Costa, M Covarelli, R Degano, A Demaria, N Finco, L Kiani, B Mariotti, C Maselli, S Migliore, E Monaco, V Monteil, E Obertino, MM Pacher, L Pastrone, N Pelliccioni, M Angioni, GLP Ravera, F Romero, A Ruspa, M Sacchi, R Shchelina, K Sola, V Solano, A Staiano, A Traczyk, P Belforte, S Casarsa, M Cossutti, F Della Ricca, G La Licata, C Schizzi, A Zanetti, A Kim, DH Kim, GN Kim, MS Lee, S Lee, SW Oh, YD Sekmen, S Son, DC Yang, YC Lee, A Cifuentes, JAB Kim, TJ Cho, S Choi, S Go, Y Gyun, D Ha, S Hong, B Jo, Y Kim, Y Lee, B Lee, K Lee, KS Lee, S Lim, J Park, SK Roh, Y Almond, J Kim, J Lee, H Oh, SB Radburn-Smith, BC Seo, SH Yang, UK Yoo, HD Yu, GB Choi, M Kim, H Kim, H Kim, JH Lee, JSH Park, IC Ryu, G Ryu, MS Choi, Y Goh, J Hwang, C Lee, J Yu, I Dudenas, V Juodagalvis, A Vaitkus, J Ahmed, I Ibrahim, ZA Komaragiri, JR Ali, MABM Idris, FM Abdullah, WATW Yusli, MN Zolkapli, Z Castilla-Valdez, H De La Cruz-Burelo, E La Cruz, IHD Hernandez-Almada, A Lopez-Fernandez, R Villalba, RM Guisao, JM Sanchez-Hernandez, A Moreno, SC Barrera, CO Valencia, FV Carpinteyro, S Pedraza, I Ibarguen, HAS Estrada, CU Pineda, AM Krofcheck, D Butler, PH Ahmad, A Ahmad, M Hassan, Q Hoorani, HR Khan, WA Shah, MA Shoaib, M Waqas, M Bialkowska, H Bluj, M Boimska, B Frueboes, T Gorski, M Kazana, M Nawrocki, K Romanowska-Rybinska, K Szleper, M Zalewski, P Bunkowski, K Byszuk, A Doroba, K Kalinowski, A Konecki, M Krolikowski, J Misiura, M Olszewski, M Walczak, M Bargassa, P Silva, CBDCE Di Francesco, A Faccioli, P Parracho, PGF Gallinaro, M Hollar, J Leonardo, N Iglesias, LL Nemallapudi, MV Antunes, JR Seixas, J Toldaiev, O Vadruccio, D Varela, J Vischia, P Afanasiev, S Bunin, P Gavrilenko, M Golutvin, I Gorbunov, I Kamenev, A Karjavin, V Lanev, A Malakhov, A Matveev, V Moisenz, P Palichik, V Perelygin, V Shmatov, S Shulha, S Skatchkov, N Smirnov, V Voytishin, N Zarubin, A Chtchipounov, L Golovtsov, V Ivanov, Y Kim, V Kuznetsova, E Murzin, V Oreshkin, V Sulimov, V Vorobyev, A Andreev, Y Dermenev, A Gninenko, S Golubev, N Karneyeu, A Kirsanov, M Krasnikov, N Pashenkov, A Tlisov, D Toropin, A Epshteyn, V Gavrilov, V Lychkovskaya, N Popov, V Pozdnyakov, I Safronov, G Spiridonov, A Toms, M Vlasov, E Zhokin, A Bylinkin, A Chistov, R Danilov, M Rusinov, V Andreev, V Azarkin, M Dremin, I Kirakosyan, M Leonidov, A Rusakov, SV Terkulov, A Baskakov, A Belyaev, A Boos, E Bunichev, V Dubinin, M Dudko, L Ershov, A Gribushin, A Klyukhin, V Kodolova, O Lokhtin, I Miagkov, I Obraztsov, S Petrushanko, S Savrin, V Blinov, V Skovpen, Y Azhgirey, I Bayshev, I Bitioukov, S Elumakhov, D Kachanov, V Kalinin, A Konstantinov, D Krychkine, V Petrov, V Ryutin, R Sobol, A Troshin, S Tyurin, N Uzunian, A Volkov, A Adzic, P Cirkovic, P Devetak, D Dordevic, M Milosevic, J Rekovic, V Maestre, JA Luna, MB Calvo, E Cerrada, M Llatas, MC Colino, N De La Cruz, B Peris, AD Del Valle, AE Bedoya, CF Ramos, JPF Flix, J Fouz, MC Garcia-Abia, P Lopez, OG Lopez, SG Hernandez, JM Josa, MI De Martino, EN Yzquierdo, APC Pelayo, JP Olmeda, AQ Redondo, I Romero, L Soares, MS de Troconiz, JF Missiroli, M Moran, D Cuevas, J Menendez, JF Caballero, IG Fernandez, JRG Cortezon, EP Cruz, SS Andres, IS Garcia, JMV Cabrillo, IJ Calderon, A De Saa, JRC Curras, E Fernandez, M Garcia-Ferrero, J Gomez, G Virto, AL Marco, J Rivero, CM Matorras, F Gomez, JP Rodrigo, T Ruiz-Jimeno, A Scodellaro, L Trevisani, N Vila, I Cortabitarte, RV Abbaneo, D Auffray, E Auzinger, G Bachtis, M Baillon, P Ball, AH Barney, D Bloch, P Bocci, A Bonato, A Botta, C Camporesi, T Castello, R Cepeda, M Cerminara, G D'Alfonso, M d'Enterria, D Dabrowski, A Daponte, V David, A De Gruttola, M De Guio, F De Roeck, A Di Marco, E Dobson, M Dorney, B du Pree, T Duggan, D Dunser, M Dupont, N Elliott-Peisert, A Fartoukh, S Franzoni, G Fulcher, J Funk, W Gigi, D Gill, K Girone, M Glege, F Gulhan, D Gundacker, S Guthoff, M Hammer, J Harris, P Hegeman, J Innocente, V Janot, P Kirschenmann, H Knuenz, V Kornmayer, A Kortelainen, MJ Kousouris, K Krammer, M Lecoq, P Lourenco, C Lucchini, MT Malgeri, L Mannelli, M Martelli, A Meijers, F Mersi, S Meschi, E Moortgat, F Morovic, S Mulders, M Neugebauer, H Orfanelli, S Orsini, L Pape, L Perez, E Peruzzi, M Petrilli, A Petrucciani, G Pfeiffer, A Pierini, M Racz, A Reis, T Rolandi, G Rovere, M Ruan, M Sakulin, H Sauvan, JB Schaefer, C Schwick, C Seidel, M Sharma, A Silva, P Simon, M Sphicas, P Steggemann, J Stoye, M Takahashi, Y Tosi, M Treille, D Triossi, A Tsirou, A Veckalns, V Veres, GI Wardle, N Zagozdzinska, A Zeuner, WD Bertl, W Deiters, K Erdmann, W Horisberger, R Ingram, Q Kaestli, HC Kotlinski, D Langenegger, U Rohe, T Bachmair, F Bani, L Bianchini, L Casal, B Dissertori, G Dittmar, M Donega, M Eller, P Grab, C Heidegger, C Hits, D Hoss, J Kasieczka, G Lecomte, P Lustermann, W Mangano, B Marionneau, M del Arbol, PMR Masciovecchio, M Meinhard, MT Meister, D Micheli, F Musella, P Nessi-Tedaldi, F Pandolfi, F Pata, J Pauss, F Perrin, G Perrozzi, L Quittnat, M Rossini, M Schonenberger, M Starodumov, A Tavolaro, VR Theofilatos, K Wallny, R Aarrestad, TK Amsler, C Caminada, L Canelli, MF De Cosa, A Hinzmann, A Hreus, T Kilminster, B Lange, C Ngadiuba, J Pinna, D Rauco, G Robmann, P Salerno, D Yang, Y Candelise, V Doan, TH Jain, S Khurana, R Konyushikhin, M Kuo, CM Lin, W Lu, YJ Pozdnyakov, A Yu, SS Kumar, A Chang, P Chang, YH Chang, YW Chao, Y Chen, KF Chen, PH Dietz, C Fiori, F Hou, WS Hsiung, Y Liu, YF Lu, RS Moya, MM Paganis, E Psallidas, A Tsai, JF Tzeng, YM Asavapibhop, B Singh, G Srimanobhas, N Suwonjandee, N Cerci, S Damarseckin, S Demiroglu, ZS Dozen, C Dumanoglu, I Girgis, S Gokbulut, G Guler, Y Gurpinar, E Hos, I Kangal, EE Kara, O Topaksu, AK Kiminsu, U Oglakci, M Onengut, G Ozdemir, K Cerci, DS Tali, B Turkcapar, S Zorbakir, IS Zorbilmez, C Bilin, B Bilmis, S Isildak, B Karapinar, G Yalvac, M Zeyrek, M Gulmez, E Kaya, M Kaya, O Yetkin, EA Yetkin, T Cakir, A Cankocak, K Sen, S Grynyov, B Levchuk, L Sorokin, P Aggleton, R Ball, F Beck, L Brooke, JJ Burns, D Clement, E Cussans, D Flacher, H Goldstein, J Grimes, M Heath, GP Heath, HF Jacob, J Kreczko, L Lucas, C Newbold, DM Paramesvaran, S Poll, A Sakuma, T El Nasr-Storey, SS Smith, D Smith, VJ Barducci, D Bell, KW Belyaev, A Brew, C Brown, RM Calligaris, L Cieri, D Cockerill, DJA Coughlan, JA Harder, K Harper, S Olaiya, E Petyt, D Shepherd-Themistocleous, CH Thea, A Tomalin, IR Williams, T Baber, M Bainbridge, R Buchmuller, O Bundock, A Burton, D Casasso, S Citron, M Colling, D Corpe, L Dauncey, P Davies, G De Wit, A Della Negra, M Di Maria, R Dunne, P Elwood, A Futyan, D Haddad, Y Hall, G Iles, G James, T Lane, R Laner, C Lucas, R Lyons, L Magnan, AM Malik, S Mastrolorenzo, L Nash, J Nikitenko, A Pela, J Penning, B Pesaresi, M Raymond, DM Richards, A Rose, A Seez, C Summers, S Tapper, A Uchida, K Acosta, MV Virdee, T Wright, J Zenz, SC Cole, JE Hobson, PR Khan, A Kyberd, P Leslie, D Reid, ID Symonds, P Teodorescu, L Turner, M Borzou, A Call, K Dittmann, J Hatakeyama, K Liu, H Pastika, N Buccilli, A Charaf, O Cooper, SI Henderson, C Rumerio, P Arcaro, D Avetisyan, A Bose, T Gastler, D Rankin, D Richardson, C Rohlf, J Sulak, L Zou, D Benelli, G Berry, E Cutts, D Garabedian, A Hakala, J Heintz, U Hogan, JM Jesus, O Laird, E Landsberg, G Mao, Z Narain, M Piperov, S Sagir, S Spencer, E Syarif, R Breedon, R Breto, G Burns, D Sanchez, MCDLB Chauhan, S Chertok, M Conway, J Conway, R Cox, PT Erbacher, R Flores, C Funk, G Gardner, M Ko, W Lander, R Mclean, C Mulhearn, M Pellett, D Pilot, J Ricci-Tam, F Shalhout, S Smith, J Squires, M Stolp, D Tripathi, M Wilbur, S Yohay, R Cousins, R Everaerts, P Florent, A Hauser, J Ignatenko, M Saltzberg, D Takasugi, E Valuev, V Weber, M Burt, K Clare, R Ellison, J Gary, JW Hanson, G Heilman, J Jandir, P Kennedy, E Lacroix, F Long, OR Negrete, MO Paneva, MI Shrinivas, A Wei, H Wimpenny, S Yates, BR Branson, JG Cerati, GB Cittolin, S Derdzinski, M Gerosa, R Holzner, A Klein, D Krutelyov, V Letts, J Macneill, I Olivito, D Padhi, S Pieri, M Sani, M Sharma, V Simon, S Tadel, M Vartak, A Wasserbaech, S Welke, C Wood, J Wurthwein, F Yagil, A Della Porta, GZ Bhandari, R Bradmiller-Feld, J Campagnari, C Dishaw, A Dutta, V Flowers, K Sevilla, MF Geffert, P George, C Golf, F Gouskos, L Gran, J Heller, R Incandela, J Mccoll, N Mullin, SD Ovcharova, A Richman, J Stuart, D Suarez, I West, C Yoo, J Anderson, D Apresyan, A Bendavid, J Bornheim, A Bunn, J Chen, Y Duarte, J Lawhorn, JM Mott, A Newman, HB Pena, C Spiropulu, M Vlimant, JR Xie, S Zhu, RY Andrews, MB Azzolini, V Ferguson, T Paulini, M Russ, J Sun, M Vogel, H Vorobiev, I Cumalat, JP Ford, WT Jensen, F Johnson, A Krohn, M Mulholland, T Stenson, K Wagner, SR Alexander, J Chaves, J Chu, J Dittmer, S Mcdermott, K Mirman, N Kaufman, GN Patterson, JR Rinkevicius, A Ryd, A Skinnari, L Soffi, L Tan, SM Tao, Z Thom, J Tucker, J Wittich, P Zientek, M Winn, D Abdullin, S Albrow, M Apollinari, G Banerjee, S Bauerdick, LAT Beretvas, A Berryhill, J Bhat, PC Bolla, G Burkett, K Butler, JN Cheung, HWK Chlebana, F Cihangir, S Cremonesi, M Elvira, VD Fisk, I Freeman, J Gottschalk, E Gray, L Green, D Grunendahl, S Gutsche, O Hare, D Harris, RM Hasegawa, S Hirschauer, J Hu, Z Jayatilaka, B Jindariani, S Johnson, M Joshi, U Klima, B Kreis, B Lammel, S Linacre, J Lincoln, D Lipton, R Liu, T De Sa, R Lykken, J Maeshima, K Magini, N Marraffino, JM Maruyama, S Mason, D McBride, P Merkel, P Mrenna, S Nahn, S Newman-Holmes, C O'Dell, V Pedro, K Prokofyev, O Rakness, G Ristori, L Sexton-Kennedy, E Soha, A Spalding, WJ Spiegel, L Stoynev, S Strobbe, N Taylor, L Tkaczyk, S Tran, NV Uplegger, L Vaandering, EW Vernieri, C Verzocchi, M Vidal, R Wang, M Weber, HA Whitbeck, A Acosta, D Avery, P Bortignon, P Bourilkov, D Brinkerhoff, A Carnes, A Carver, M Curry, D Das, S Field, RD Furic, IK Konigsberg, J Korytov, A Ma, P Matchev, K Mei, H Milenovic, P Mitselmakher, G Rank, D Shchutska, L Sperka, D Thomas, L Wang, J Wang, S Yelton, J Linn, S Markowitz, P Martinez, G Rodriguez, JL Ackert, A Adams, JR Adams, T Askew, A Bein, S Diamond, B Hagopian, S Hagopian, V Johnson, KF Khatiwada, A Prosper, H Santra, A Weinberg, M Baarmand, MM Bhopatkar, V Colafranceschi, S Hohlmann, M Noonan, D Roy, T Yumiceva, F Adams, MR Apanasevich, L Berry, D Betts, RR Bucinskaite, I Cavanaugh, R Evdokimov, O Gauthier, L Gerber, CE Hofman, DJ Kurt, P O'Brien, C Gonzalez, IDS Turner, P Varelas, N Wang, H Wu, Z Zakaria, M Zhang, J Bilki, B Clarida, W Dilsiz, K Durgut, S Gandrajula, RP Haytmyradov, M Khristenko, V Merlo, JP Mermerkaya, H Mestvirishvili, A Moeller, A Nachtman, J Ogul, H Onel, Y Ozok, F Penzo, A Snyder, C Tiras, E Wetzel, J Yi, K Anderson, I Blumenfeld, B Cocoros, A Eminizer, N Fehling, D Feng, L Gritsan, AV Maksimovic, P Osherson, M Roskes, J Sarica, U Swartz, M Xiao, M Xin, Y You, C Al-Bataineh, A Baringer, P Bean, A Boren, S Bowen, J Bruner, C Castle, J Forthomme, L Kenny, RP Kropivnitskaya, A Majumder, D Mcbrayer, W Murray, M Sanders, S Stringer, R Takaki, JDT Wang, Q Ivanov, A Kaadze, K Khalil, S Makouski, M Maravin, Y Mohammadi, A Saini, LK Skhirtladze, N Toda, S Rebassoo, F Wright, D Anelli, C Baden, A Baron, O Belloni, A Calvert, B Eno, SC Ferraioli, C Gomez, JA Hadley, NJ Jabeen, S Kellogg, RG Kolberg, T Kunkle, J Lu, Y Mignerey, AC Shin, YH Skuja, A Tonjes, MB Tonwar, SC Abercrombie, D Allen, B Apyan, A Barbieri, R Baty, A Bi, R Bierwagen, K Brandt, S Busza, W Cali, IA Demiragli, Z Di Matteo, L Ceballos, GG Goncharov, M Hsu, D Iiyama, Y Innocenti, GM Klute, M Kovalskyi, D Krajczar, K Lai, YS Lee, YJ Levin, A Luckey, PD Marini, AC Mcginn, C Mironov, C Narayanan, S Niu, X Paus, C Roland, C Roland, G Salfeld-Nebgen, J Stephans, GSF Sumorok, K Tatar, K Varma, M Velicanu, D Veverka, J Wang, J Wang, TW Wyslouch, B Yang, M Zhukova, V Benvenuti, AC Chatterjee, RM Evans, A Finkel, A Gude, A Hansen, P Kalafut, S Kao, SC Kubota, Y Lesko, Z Mans, J Nourbakhsh, S Ruckstuhl, N Rusack, R Tambe, N Turkewitz, J Acosta, JG Oliveros, S Avdeeva, E Bartek, R Bloom, K Claes, DR Dominguez, A Fangmeier, C Suarez, RG Kamalieddin, R Kravchenko, I Rodrigues, AM Meier, F Monroy, J Siado, JE Snow, GR Stieger, B Alyari, M Dolen, J George, J Godshalk, A Harrington, C Iashvili, I Kaisen, J Kharchilava, A Kumar, A Parker, A Rappoccio, S Roozbahani, B Alverson, G Barberis, E Baumgartel, D Hortiangtham, A Knapp, B Massironi, A Morse, DM Nash, D Orimoto, T De Lima, RT Trocino, D Wang, RJ Wood, D Bhattacharya, S Hahn, KA Kubik, A Kumar, A Low, JF Mucia, N Odell, N Pollack, B Schmitt, MH Sung, K Trovato, M Velasco, M Dev, N Hildreth, M Anampa, KH Jessop, C Karmgard, DJ Kellams, N Lannon, K Marinelli, N Meng, F Mueller, C Musienko, Y Planer, M Reinsvold, A Ruchti, R Smith, G Taroni, S Wayne, M Wolf, M Woodard, A Alimena, J Antonelli, L Brinson, J Bylsma, B Durkin, LS Flowers, S Francis, B Hart, A Hill, C Hughes, R Ji, W Liu, B Luo, W Puigh, D Winer, BL Wulsin, HW Cooperstein, S Driga, O Elmer, P Hardenbrook, J Hebda, P Lange, D Luo, J Marlow, D Medvedeva, T Mei, K Mooney, M Olsen, J Palmer, C Piroue, P Stickland, D Tully, C Zuranski, A Malik, S Barker, A Barnes, VE Folgueras, S Gutay, L Jha, MK Jones, M Jung, AW Jung, K Miller, DH Neumeister, N Shi, X Sun, J Svyatkovskiy, A Wang, F Xie, W Xu, L Parashar, N Stupak, J Adair, A Akgun, B Chen, Z Ecklund, KM Geurts, FJM Guilbaud, M Li, W Michlin, B Northup, M Padley, BP Redjimi, R Roberts, J Rorie, J Tu, Z Zabel, J Betchart, B Bodek, A de Barbaro, P Demina, R Duh, YT Ferbel, T Galanti, M Garcia-Bellido, A Han, J Hindrichs, O Khukhunaishvili, A Lo, KH Tan, P Verzetti, M Chou, JP Contreras-Campana, E Gershtein, Y Espinosa, TAG Halkiadakis, E Heindl, M Hidas, D Hughes, E Kaplan, S Elayavalli, RK Kyriacou, S Lath, A Nash, K Saka, H Salur, S Schnetzer, S Sheffield, D Somalwar, S Stone, R Thomas, S Thomassen, P Walker, M Foerster, M Heideman, J Riley, G Rose, K Spanier, S Thapa, K Bouhali, O Celik, A Dalchenko, M De Mattia, M Delgado, A Dildick, S Eusebi, R Gilmore, J Huang, T Juska, E Kamon, T Mueller, R Pakhotin, Y Patel, R Perloff, A Pernie, L Rathjens, D Rose, A Safonov, A Tatarinov, A Ulmer, KA Akchurin, N Cowden, C Damgov, J Dragoiu, C Dudero, PR Faulkner, J Kunori, S Lamichhane, K Lee, SW Libeiro, T Undleeb, S Volobouev, I Wang, Z Delannoy, AG Greene, S Gurrola, A Janjam, R Johns, W Maguire, C Melo, A Ni, H Sheldon, P Tuo, S Velkovska, J Xu, Q Arenton, MW Barria, P Cox, B Goodell, J Hirosky, R Ledovskoy, A Li, H Neu, C Sinthuprasith, T Wang, Y Wolfe, E Xia, F Clarke, C Harr, R Karchin, PE Lamichhane, P Sturdy, J Belknap, DA Dasu, S Dodd, L Duric, S Gomber, B Grothe, M Herndon, M Herve, A Klabbers, P Lanaro, A Levine, A Long, K Loveless, R Ojalvo, I Perry, T Pierro, GA Polese, G Ruggles, T Savin, A Sharma, A Smith, N Smith, WH Taylor, D Woods, N AF Khachatryan, V. Sirunyan, A. M. Tumasyan, A. Adam, W. Asilar, E. Bergauer, T. Brandstetter, J. Brondolin, E. Dragicevic, M. Ero, J. Flechl, M. Friedl, M. Fruehwirth, R. Ghete, V. M. Hartl, C. Hoermann, N. Hrubec, J. Jeitler, M. Koenig, A. Kraetschmer, I. Liko, D. Matsushita, T. Mikulec, I. Rabady, D. Rad, N. Rahbaran, B. Rohringer, H. Schieck, J. Strauss, J. Treberer-Treberspurg, W. Waltenberger, W. Wulz, C. -E. Mossolov, V. Shumeiko, N. Gonzalez, J. Suarez Alderweireldt, S. De Wolf, E. A. Janssen, X. Lauwers, J. De Klundert, M. Van Van Haevermaet, H. Van Mechelen, P. Van Remortel, N. Van Spilbeeck, A. Abu Zeid, S. Blekman, F. D'Hondt, J. Daci, N. De Bruyn, I. Deroover, K. Heracleous, N. Lowette, S. Moortgat, S. Moreels, L. Olbrechts, A. Python, Q. Tavernier, S. Van Doninck, W. Van Mulders, P. Van Parijs, I. Brun, H. Caillol, C. Clerbaux, B. De Lentdecker, G. Delannoy, H. Fasanella, G. Favart, L. Goldouzian, R. Grebenyuk, A. Karapostoli, G. Lenzi, T. Leonard, A. Luetic, J. Maerschalk, T. Marinov, A. Randle-conde, A. Seva, T. Velde, C. Vander Vanlaer, P. Yonamine, R. Zenoni, F. Zhang, F. Cimmino, A. Cornelis, T. Dobur, D. Fagot, A. Garcia, G. Gul, M. Poyraz, D. Salva, S. Schoefbeck, R. Tytgat, M. Van Driessche, W. Yazgan, E. Zaganidis, N. Bakhshiansohi, H. Beluffi, C. Bondu, O. Brochet, S. Bruno, G. Caudron, A. De Visscher, S. Delaere, C. Delcourt, M. Francois, B. Giammanco, A. Jafari, A. Jez, P. Komm, M. Lemaitre, V. Magitteri, A. Mertens, A. Musich, M. Nuttens, C. Piotrzkowski, K. Quertenmont, L. Selvaggi, M. Marono, M. Vidal Wertz, S. Beliy, N. Alda Junior, W. L. Alves, F. L. Alves, G. A. Brito, L. Hensel, C. Moraes, A. Pol, M. E. Rebello Teles, P. Belchior Batista Das Chagas, E. Carvalho, W. Chinellato, J. Custodio, A. Da Costa, E. M. Da Silveira, G. G. De Jesus Damiao, D. De Oliveira Martins, C. Fonseca De Souza, S. Huertas Guativa, L. M. Malbouisson, H. Matos Figueiredo, D. Mora Herrera, C. Mundim, L. Nogima, H. Prado Da Silva, W. L. Santoro, A. Sznajder, A. Tonelli Manganote, E. J. Vilela Pereira, A. Ahuja, S. Bernardes, C. A. Dogra, S. Fernandez Perez Tomei, T. R. Gregores, E. M. Mercadante, P. G. Moon, C. S. Novaes, S. F. Padula, Sandra S. Romero Abad, D. Ruiz Vargas, J. C. Aleksandrov, A. Hadjiiska, R. Iaydjiev, P. Rodozov, M. Stoykova, S. Sultanov, G. Vutova, M. Dimitrov, A. Glushkov, I. Litov, L. Pavlov, B. Petkov, P. Fang, W. Ahmad, M. Bian, J. G. Chen, G. M. Chen, H. S. Chen, M. Chen, Y. Cheng, T. Jiang, C. H. Leggat, D. Liu, Z. Romeo, F. Shaheen, S. M. Spiezia, A. Tao, J. Wang, C. Wang, Z. Zhang, H. Zhao, J. Ban, Y. Chen, G. Li, Q. Liu, S. Mao, Y. Qian, S. J. Wang, D. Xu, Z. Avila, C. Cabrera, A. Chaparro Sierra, L. F. Florez, C. Gomez, J. P. Gonzalez Hernandez, C. F. Ruiz Alvarez, J. D. Sanabria, J. C. Godinovic, N. Lelas, D. Puljak, I. Cipriano, P. M. Ribeiro Sculac, T. Antunovic, Z. Kovac, M. Brigljevic, V. Ferencek, D. Kadija, K. Micanovic, S. Sudic, L. Susa, T. Attikis, A. Mavromanolakis, G. Mousa, J. Nicolaou, C. Ptochos, F. Razis, P. A. Rykaczewski, H. Finger, M. Finger, M., Jr. Jarrin, E. Carrera Assran, Y. Elkafrawy, T. Mahrous, A. Calpas, B. Kadastik, M. Murumaa, M. Perrini, L. Raidal, M. Tiko, A. Veelken, C. Eerola, P. Pekkanen, J. Voutilainen, M. Harkonen, J. Karimaki, V. Kinnunen, R. Lampen, T. Lassila-Perini, K. Lehti, S. Linden, T. Luukka, P. Peltola, T. Tuominiemi, J. Tuovinen, E. Wendland, L. Talvitie, J. Tuuva, T. Besancon, M. Couderc, F. Dejardin, M. Denegri, D. Fabbro, B. Faure, J. L. Favaro, C. Ferri, F. Ganjour, S. Ghosh, S. Givernaud, A. Gras, P. de Monchenault, G. Hamel Jarry, P. Kucher, I. Locci, E. Machet, M. Malcles, J. Rander, J. Rosowsky, A. Titov, M. Zghiche, A. Abdulsalam, A. Antropov, I. Baffioni, S. Beaudette, F. Busson Cadamuro, L. Chapon, E. Charlot, C. Davignon, O. de Cassagnac, R. Granier Jo, M. Lisniak, S. Mine, P. Nguyen, M. Ochando, C. Ortona, G. Paganini, P. Pigard, P. Regnard, S. Salerno, R. Sirois, Y. Strebler, T. Yilmaz, Y. Zabi, A. Agram, J. -L. Andrea, J. Aubin, A. Bloch, D. Brom, J. -M. Buttignol, M. Chabert, E. C. Chanon, N. Collard, C. Conte, E. Coubez, X. Fontaine, J. -C. Gele, D. Goerlach, U. Le Bihan, A. -C. Merlin, J. A. Skovpen, K. Van Hove, P. Gadrat, S. Beauceron, S. Bernet, C. Boudoul, G. Bouvier, E. Montoya, C. A. Carrillo Chierici, R. Contardo, D. Courbon, B. Depasse, P. El Mamouni, H. Fan, J. Fay, J. Gascon, S. Gouzevitch, M. Grenier, G. Ille, B. Lagarde, F. Laktineh, I. B. Lethuillier, M. Mirabito, L. Pequegnot, A. L. Perries, S. Popov, A. Sabes, D. Sordini, V. Donckt, M. Vander Verdier, P. Viret, S. Toriashvili, T. Tsamalaidze, Z. Autermann, C. Beranek, S. Feld, L. Heister, A. Kiesel, M. K. Klein, K. Lipinski, M. Ostapchuk, A. Preuten, M. Raupach, F. Schael, S. Schomakers, C. Schulte, J. F. Schulz, J. Verlage, T. Weber, H. Zhukov, V. Brodski, M. Dietz-Laursonn, E. Duchardt, D. Endres, M. Erdmann, M. Erdweg, S. Esch, T. Fischer, R. Gueth, A. Hamer, M. Hebbeker, T. Heidemann, C. Hoepfner, K. Knutzen, S. Merschmeyer, M. Meyer, A. Millet, P. Mukherjee, S. Olschewski, M. Padeken, K. Pook, T. Radziej, M. Reithler, H. Rieger, M. Scheuch, F. Sonnenschein, L. Teyssier, D. Thueer, S. Cherepanov, V. Fluegge, G. Ahmad, W. Haj Hoehle, F. Kargoll, B. Kress, T. Kuensken, A. Lingemann, J. Mueller, T. Nehrkorn, A. Nowack, A. Nugent, I. M. Pistone, C. Pooth, O. Stahl, A. Martin, M. Aldaya Asawatangtrakuldee, C. Beernaert, K. Behnke, O. Behrens, U. Bin Anuar, A. A. Borras, K. Campbell, A. Connor, P. Contreras-Campana, C. Costanza, F. Pardos, C. Diez Dolinska, G. Eckerlin, G. Eckstein, D. Eren, E. Gallo, E. Garcia, J. Garay Geiser, A. Gizhko, A. Luyando, J. M. Grados Gunnellini, P. Harb, A. Hauk, J. Hempel, M. Jung, H. Kalogeropoulos, A. Karacheban, O. Kasemann, M. Keaveney, J. Kieseler, J. Kleinwort, C. Korol, I. Kruecker, D. Lange, W. Lelek, A. Leonard, J. Lipka, K. Lobanov, A. Lohmann, W. Mankel, R. Melzer-Pellmann, I. -A. Meyer, A. B. Mittag, G. Mnich, J. Mussgiller, A. Ntomari, E. Pitzl, D. Raspereza, A. Roland, B. Sahin, M. O. Saxena, P. Schoerner-Sadenius, T. Seitz, C. Spannagel, S. Stefaniuk, N. Trippkewitz, K. D. Van Onsem, G. P. Walsh, R. Wissing, C. Blobel, V. Vignali, M. Centis Draeger, A. R. Dreyer, T. Garutti, E. Gonzalez, D. Haller, J. Hoffmann, M. Junkes, A. Klanner, R. Kogler, R. Kovalchuk, N. Lapsien, T. Lenz, T. Marchesini, I. Marconi, D. Meyer, M. Niedziela, M. Nowatschin, D. Pantaleo, F. Peiffer, T. Perieanu, A. Poehlsen, J. Sander, C. Scharf, C. Schleper, P. Schmidt, A. Schumann, S. Schwandt, J. Stadie, H. Steinbrueck, G. Stober, F. M. Stoever, M. Tholen, H. Troendle, D. Usai, E. Vanelderen, L. Vanhoefer, A. Vormwald, B. Barth, C. Baus, C. Berger, J. Butz, E. Chwalek, T. Colombo, F. De Boer, W. Dierlamm, A. Fink, S. Friese, R. Giffels, M. Gilbert, A. Goldenzweig, P. Haitz, D. Hartmann, F. Heindl, S. M. Husemann, U. Katkov, I. Pardo, P. Lobelle Maier, B. Mildner, H. Mozer, M. U. Mueller, Th. Plagge, M. Quast, G. Rabbertz, K. Roecker, S. Roscher, F. Schroeder, M. Shvetsov, I. Sieber, G. Simonis, H. J. Ulrich, R. Wagner-Kuhr, J. Wayand, S. Weber, M. Weiler, T. Williamson, S. Woehrmann, C. Wolf, R. Anagnostou, G. Daskalakis, G. Geralis, T. Giakoumopoulou, V. A. Kyriakis, A. Loukas, D. Topsis-Giotis, I. Agapitos, A. Kesisoglou, S. Panagiotou, A. Saoulidou, N. Tziaferi, E. Evangelou, I. Flouris, G. Foudas, C. Kokkas, P. Loukas, N. Manthos, N. Papadopoulos, I. Paradas, E. Filipovic, N. Bencze, G. Hajdu, C. Hidas, P. Horvath, D. Sikler, F. Veszpremi, V. Vesztergombi, G. Zsigmond, A. J. Beni, N. Czellar, S. Karancsi, J. Makovec, A. Molnar, J. Szillasi, Z. Bartok, M. Raics, P. Trocsanyi, Z. L. Ujvari, B. Bahinipati, S. Choudhury, S. Mal, P. Mandal, K. Nayak, A. Sahoo, D. K. Sahoo, N. Swain, S. K. Bansal, S. Beri, S. B. Bhatnagar, V. Chawla, R. Bhawandeep, U. Kalsi, A. K. Kaur, A. Kaur, M. Kumar, R. Mehta, A. Mittal, M. Singh, J. B. Walia, G. Kumar, Ashok Bhardwaj, A. Choudhary, B. C. Garg, R. B. Keshri, S. Malhotra, S. Naimuddin, M. Nishu, N. Ranjan, K. Sharma, R. Sharma, V. Bhattacharya, R. Bhattacharya, S. Chatterjee, K. Dey, S. Dutt, S. Dutta, S. Ghosh, S. Majumdar, N. Modak, A. Mondal, K. Mukhopadhyay, S. Nandan, S. Purohit, A. Roy, A. Roy, D. Chowdhury, S. Roy Sarkar, S. Sharan, M. Thakur, S. Behera, P. K. Chudasama, R. Dutta, D. Jha, V. Kumar, V. Mohanty, A. K. Netrakanti, P. K. Pant, L. M. Shukla, P. Topkar, A. Aziz, T. Dugad, S. Kole, G. Mahakud, B. Mitra, S. Mohanty, G. B. Parida, B. Sur, N. Sutar, B. Banerjee, S. Bhowmik, S. Dewanjee, R. K. Ganguly, S. Guchait, M. Jain, Sa. Kumar, S. Maity, M. Majumder, G. Mazumdar, K. Sarkar, T. Wickramage, N. Chauhan, S. Dube, S. Hegde, V. Kapoor, A. Kothekar, K. Rane, A. Sharma, S. Behnamian, H. Chenarani, S. Tadavani, E. Eskandari Etesami, S. M. Fahim, A. Khakzad, M. Najafabadi, M. Mohammadi Naseri, M. Mehdiabadi, S. Paktinat Hosseinabadi, F. Rezaei Safarzadeh, B. Zeinali, M. Felcini, M. Grunewald, M. Abbrescia, M. Calabria, C. Caputo, C. Colaleo, A. Creanza, D. Cristella, L. De Filippis, N. De Palma, M. Fiore, L. Iaselli, G. Maggi, G. Maggi, M. Miniello, G. My, S. Nuzzo, S. Pompili, A. Pugliese, G. Radogna, R. Ranieri, A. Selvaggi, G. Silvestris, L. Venditti, R. Verwilligen, P. Abbiendi, G. Battilana, C. Bonacorsi, D. Braibant-Giacomelli, S. Brigliadori, L. Campanini, R. Capiluppi, P. Castro, A. Cavallo, F. R. Chhibra, S. S. Codispoti, G. Cuffiani, M. Dallavalle, G. M. Fabbri, F. Fanfani, A. Fasanella, D. Giacomelli, P. Grandi, C. Guiducci, L. Marcellini, S. Masetti, G. Montanari, A. Navarria, F. L. Perrotta, A. Rossi, A. M. Rovelli, T. Siroli, G. P. Tosi, N. Albergo, S. Chiorboli, M. Costa, S. Di Mattia, A. Giordano, F. Potenza, R. Tricomi, A. Tuve, C. Barbagli, G. Ciulli, V. Civinini, C. D'Alessandro, R. Focardi, E. Gori, V. Lenzi, P. Meschini, M. Paoletti, S. Sguazzoni, G. Viliani, L. Benussi, L. Bianco, S. Fabbri, F. Piccolo, D. Primavera, F. Calvelli, V. Ferro, F. Lo Vetere, M. Monge, M. R. Robutti, E. Tosi, S. Brianza, L. Dinardo, M. E. Fiorendi, S. Gennai, S. Ghezzi, A. Govoni, P. Malberti, M. Malvezzi, S. Manzoni, R. A. Marzocchi, B. Menasce, D. Moroni, L. Paganoni, M. Pedrini, D. Pigazzini, S. Ragazzi, S. de Fatis, T. Tabarelli Buontempo, S. Cavallo, N. De Nardo, G. Di Guida, S. Esposito, M. Fabozzi, F. Iorio, A. O. M. Lanza, G. Lista, L. Meola, S. Paolucci, P. Sciacca, C. Thyssen, F. Azzi, P. Bacchetta, N. Benato, L. Bisello, D. Boletti, A. Carlin, R. De Oliveira, A. Carvalho Antunes Checchia, P. Dall'Osso, M. Manzano, P. De Castro Dorigo, T. Dosselli, U. Gasparini, F. Gasparini, U. Gozzelino, A. Lacaprara, S. Margoni, M. Meneguzzo, A. T. Pazzini, J. Pozzobon, N. Ronchese, P. Simonetto, F. Torassa, E. Zanetti, M. Zotto, P. Zucchetta, A. Zumerle, G. Braghieri, A. Magnani, A. Montagna, P. Ratti, S. P. Re, V. Riccardi, C. Salvini, P. Vai, I. Vitulo, P. Solestizi, L. Alunni Bilei, G. M. Ciangottini, D. Fano, L. Lariccia, P. Leonardi, R. Mantovani, G. Menichelli, M. Saha, A. Santocchia, A. Androsov, K. Azzurri, P. Bagliesi, G. Bernardini, J. Boccali, T. Castaldi, R. Ciocci, M. A. Dell'Orso, R. Donato, S. Fedi, G. Giassi, A. Grippo, M. T. Ligabue, F. Lomtadze, T. Martini, L. Messineo, A. Palla, F. Rizzi, A. Savoy-Navarro, A. Spagnolo, P. Tenchini, R. Tonelli, G. Venturi, A. Verdini, P. G. Barone, L. Cavallari, F. Cipriani, M. D'imperio, G. Del Re, D. Diemoz, M. Gelli, S. Jorda, C. Longo, E. Margaroli, F. Meridiani, P. Organtini, G. Paramatti, R. Preiato, F. Rahatlou, S. Rovelli, C. Santanastasio, F. Amapane, N. Arcidiacono, R. Argiro, S. Arneodo, M. Bartosik, N. Bellan, R. Biino, C. Cartiglia, N. Cenna, F. Costa, M. Covarelli, R. Degano, A. Demaria, N. Finco, L. Kiani, B. Mariotti, C. Maselli, S. Migliore, E. Monaco, V. Monteil, E. Obertino, M. M. Pacher, L. Pastrone, N. Pelliccioni, M. Angioni, G. L. Pinna Ravera, F. Romero, A. Ruspa, M. Sacchi, R. Shchelina, K. Sola, V. Solano, A. Staiano, A. Traczyk, P. Belforte, S. Casarsa, M. Cossutti, F. Della Ricca, G. La Licata, C. Schizzi, A. Zanetti, A. Kim, D. H. Kim, G. N. Kim, M. S. Lee, S. Lee, S. W. Oh, Y. D. Sekmen, S. Son, D. C. Yang, Y. C. Lee, A. Cifuentes, J. A. Brochero Kim, T. J. Cho, S. Choi, S. Go, Y. Gyun, D. Ha, S. Hong, B. Jo, Y. Kim, Y. Lee, B. Lee, K. Lee, K. S. Lee, S. Lim, J. Park, S. K. Roh, Y. Almond, J. Kim, J. Lee, H. Oh, S. B. Radburn-Smith, B. C. Seo, S. H. Yang, U. K. Yoo, H. D. Yu, G. B. Choi, M. Kim, H. Kim, H. Kim, J. H. Lee, J. S. H. Park, I. C. Ryu, G. Ryu, M. S. Choi, Y. Goh, J. Hwang, C. Lee, J. Yu, I. Dudenas, V. Juodagalvis, A. Vaitkus, J. Ahmed, I. Ibrahim, Z. A. Komaragiri, J. R. Ali, M. A. B. Md Idris, F. Mohamad Wan Abdullah, W. A. T. Yusli, M. N. Zolkapli, Z. Castilla-Valdez, H. De La Cruz-Burelo, E. La Cruz, I. Heredia-De Hernandez-Almada, A. Lopez-Fernandez, R. Magana Villalba, R. Mejia Guisao, J. Sanchez-Hernandez, A. Carrillo Moreno, S. Oropeza Barrera, C. Vazquez Valencia, F. Carpinteyro, S. Pedraza, I. Salazar Ibarguen, H. A. Uribe Estrada, C. Pineda, A. Morelos Krofcheck, D. Butler, P. H. Ahmad, A. Ahmad, M. Hassan, Q. Hoorani, H. R. Khan, W. A. Shah, M. A. Shoaib, M. Waqas, M. Bialkowska, H. Bluj, M. Boimska, B. Frueboes, T. Gorski, M. Kazana, M. Nawrocki, K. Romanowska-Rybinska, K. Szleper, M. Zalewski, P. Bunkowski, K. Byszuk, A. Doroba, K. Kalinowski, A. Konecki, M. Krolikowski, J. Misiura, M. Olszewski, M. Walczak, M. Bargassa, P. Beirao Da Cruz E Silva, C. Di Francesco, A. Faccioli, P. Parracho, P. G. Ferreira Gallinaro, M. Hollar, J. Leonardo, N. Iglesias, L. Lloret Nemallapudi, M. V. Antunes, J. Rodrigues Seixas, J. Toldaiev, O. Vadruccio, D. Varela, J. Vischia, P. Afanasiev, S. Bunin, P. Gavrilenko, M. Golutvin, I. Gorbunov, I. Kamenev, A. Karjavin, V. Lanev, A. Malakhov, A. Matveev, V. Moisenz, P. Palichik, V. Perelygin, V. Shmatov, S. Shulha, S. Skatchkov, N. Smirnov, V. Voytishin, N. Zarubin, A. Chtchipounov, L. Golovtsov, V. Ivanov, Y. Kim, V. Kuznetsova, E. Murzin, V. Oreshkin, V. Sulimov, V. Vorobyev, A. Andreev, Yu. Dermenev, A. Gninenko, S. Golubev, N. Karneyeu, A. Kirsanov, M. Krasnikov, N. Pashenkov, A. Tlisov, D. Toropin, A. Epshteyn, V. Gavrilov, V. Lychkovskaya, N. Popov, V. Pozdnyakov, I. Safronov, G. Spiridonov, A. Toms, M. Vlasov, E. Zhokin, A. Bylinkin, A. Chistov, R. Danilov, M. Rusinov, V. Andreev, V. Azarkin, M. Dremin, I. Kirakosyan, M. Leonidov, A. Rusakov, S. V. Terkulov, A. Baskakov, A. Belyaev, A. Boos, E. Bunichev, V. Dubinin, M. Dudko, L. Ershov, A. Gribushin, A. Klyukhin, V. Kodolova, O. Lokhtin, I. Miagkov, I. Obraztsov, S. Petrushanko, S. Savrin, V. Blinov, V. Skovpen, Y. Azhgirey, I. Bayshev, I. Bitioukov, S. Elumakhov, D. Kachanov, V. Kalinin, A. Konstantinov, D. Krychkine, V. Petrov, V. Ryutin, R. Sobol, A. Troshin, S. Tyurin, N. Uzunian, A. Volkov, A. Adzic, P. Cirkovic, P. Devetak, D. Dordevic, M. Milosevic, J. Rekovic, V. Maestre, J. Alcaraz Luna, M. Barrio Calvo, E. Cerrada, M. Llatas, M. Chamizo Colino, N. De La Cruz, B. Delgado Peris, A. Escalante Del Valle, A. Fernandez Bedoya, C. Fernandez Ramos, J. P. Flix, J. Fouz, M. C. Garcia-Abia, P. Gonzalez Lopez, O. Goy Lopez, S. Hernandez, J. M. Josa, M. I. Navarro De Martino, E. Perez-Calero Yzquierdo, A. Puerta Pelayo, J. Quintario Olmeda, A. Redondo, I. Romero, L. Soares, M. S. de Troconiz, J. F. Missiroli, M. Moran, D. Cuevas, J. Fernandez Menendez, J. Gonzalez Caballero, I. Gonzalez Fernandez, J. R. Palencia Cortezon, E. Sanchez Cruz, S. Suarez Andres, I. Vizan Garcia, J. M. Cabrillo, I. J. Calderon, A. De Saa, J. R. Castineiras Curras, E. Fernandez, M. Garcia-Ferrero, J. Gomez, G. Lopez Virto, A. Marco, J. Martinez Rivero, C. Matorras, F. Piedra Gomez, J. Rodrigo, T. Ruiz-Jimeno, A. Scodellaro, L. Trevisani, N. Vila, I. Vilar Cortabitarte, R. Abbaneo, D. Auffray, E. Auzinger, G. Bachtis, M. Baillon, P. Ball, A. H. Barney, D. Bloch, P. Bocci, A. Bonato, A. Botta, C. Camporesi, T. Castello, R. Cepeda, M. Cerminara, G. D'Alfonso, M. d'Enterria, D. Dabrowski, A. Daponte, V. David, A. De Gruttola, M. De Guio, F. De Roeck, A. Di Marco, E. Dobson, M. Dorney, B. du Pree, T. Duggan, D. Duenser, M. Dupont, N. Elliott-Peisert, A. Fartoukh, S. Franzoni, G. Fulcher, J. Funk, W. Gigi, D. Gill, K. Girone, M. Glege, F. Gulhan, D. Gundacker, S. Guthoff, M. Hammer, J. Harris, P. Hegeman, J. Innocente, V. Janot, P. Kirschenmann, H. Knuenz, V. Kornmayer, A. Kortelainen, M. J. Kousouris, K. Krammer, M. Lecoq, P. Lourenco, C. Lucchini, M. T. Malgeri, L. Mannelli, M. Martelli, A. Meijers, F. Mersi, S. Meschi, E. Moortgat, F. Morovic, S. Mulders, M. Neugebauer, H. Orfanelli, S. Orsini, L. Pape, L. Perez, E. Peruzzi, M. Petrilli, A. Petrucciani, G. Pfeiffer, A. Pierini, M. Racz, A. Reis, T. Rolandi, G. Rovere, M. Ruan, M. Sakulin, H. Sauvan, J. B. Schaefer, C. Schwick, C. Seidel, M. Sharma, A. Silva, P. Simon, M. Sphicas, P. Steggemann, J. Stoye, M. Takahashi, Y. Tosi, M. Treille, D. Triossi, A. Tsirou, A. Veckalns, V. Veres, G. I. Wardle, N. Zagozdzinska, A. Zeuner, W. D. Bertl, W. Deiters, K. Erdmann, W. Horisberger, R. Ingram, Q. Kaestli, H. C. Kotlinski, D. Langenegger, U. Rohe, T. Bachmair, F. Baeni, L. Bianchini, L. Casal, B. Dissertori, G. Dittmar, M. Donega, M. Eller, P. Grab, C. Heidegger, C. Hits, D. Hoss, J. Kasieczka, G. Lecomte, P. Lustermann, W. Mangano, B. Marionneau, M. Martinez Ruiz del Arbol, P. Masciovecchio, M. Meinhard, M. T. Meister, D. Micheli, F. Musella, P. Nessi-Tedaldi, F. Pandolfi, F. Pata, J. Pauss, F. Perrin, G. Perrozzi, L. Quittnat, M. Rossini, M. Schoenenberger, M. Starodumov, A. Tavolaro, V. R. Theofilatos, K. Wallny, R. Aarrestad, T. K. Amsler, C. Caminada, L. Canelli, M. F. De Cosa, A. Hinzmann, A. Hreus, T. Kilminster, B. Lange, C. Ngadiuba, J. Pinna, D. Rauco, G. Robmann, P. Salerno, D. Yang, Y. Candelise, V. Doan, T. H. Jain, Sh. Khurana, R. Konyushikhin, M. Kuo, C. M. Lin, W. Lu, Y. J. Pozdnyakov, A. Yu, S. S. Kumar, Arun Chang, P. Chang, Y. H. Chang, Y. W. Chao, Y. Chen, K. F. Chen, P. H. Dietz, C. Fiori, F. Hou, W. -S. Hsiung, Y. Liu, Y. F. Lu, R. -S. Minano Moya, M. Paganis, E. Psallidas, A. Tsai, J. F. Tzeng, Y. M. Asavapibhop, B. Singh, G. Srimanobhas, N. Suwonjandee, N. Cerci, S. Damarseckin, S. Demiroglu, Z. S. Dozen, C. Dumanoglu, I. Girgis, S. Gokbulut, G. Guler, Y. Gurpinar, E. Hos, I. Kangal, E. E. Kara, O. Topaksu, A. Kayis Kiminsu, U. Oglakci, M. Onengut, G. Ozdemir, K. Cerci, D. Sunar Tali, B. Turkcapar, S. Zorbakir, I. S. Zorbilmez, C. Bilin, B. Bilmis, S. Isildak, B. Karapinar, G. Yalvac, M. Zeyrek, M. Guelmez, E. Kaya, M. Kaya, O. Yetkin, E. A. Yetkin, T. Cakir, A. Cankocak, K. Sen, S. Grynyov, B. Levchuk, L. Sorokin, P. Aggleton, R. Ball, F. Beck, L. Brooke, J. J. Burns, D. Clement, E. Cussans, D. Flacher, H. Goldstein, J. Grimes, M. Heath, G. P. Heath, H. F. Jacob, J. Kreczko, L. Lucas, C. Newbold, D. M. Paramesvaran, S. Poll, A. Sakuma, T. El Nasr-Storey, S. Seif Smith, D. Smith, V. J. Barducci, D. Bell, K. W. Belyaev, A. Brew, C. Brown, R. M. Calligaris, L. Cieri, D. Cockerill, D. J. A. Coughlan, J. A. Harder, K. Harper, S. Olaiya, E. Petyt, D. Shepherd-Themistocleous, C. H. Thea, A. Tomalin, I. R. Williams, T. Baber, M. Bainbridge, R. Buchmuller, O. Bundock, A. Burton, D. Casasso, S. Citron, M. Colling, D. Corpe, L. Dauncey, P. Davies, G. De Wit, A. Della Negra, M. Di Maria, R. Dunne, P. Elwood, A. Futyan, D. Haddad, Y. Hall, G. Iles, G. James, T. Lane, R. Laner, C. Lucas, R. Lyons, L. Magnan, A. -M. Malik, S. Mastrolorenzo, L. Nash, J. Nikitenko, A. Pela, J. Penning, B. Pesaresi, M. Raymond, D. M. Richards, A. Rose, A. Seez, C. Summers, S. Tapper, A. Uchida, K. Acosta, M. Vazquez Virdee, T. Wright, J. Zenz, S. C. Cole, J. E. Hobson, P. R. Khan, A. Kyberd, P. Leslie, D. Reid, I. D. Symonds, P. Teodorescu, L. Turner, M. Borzou, A. Call, K. Dittmann, J. Hatakeyama, K. Liu, H. Pastika, N. Buccilli, A. Charaf, O. Cooper, S. I. Henderson, C. Rumerio, P. Arcaro, D. Avetisyan, A. Bose, T. Gastler, D. Rankin, D. Richardson, C. Rohlf, J. Sulak, L. Zou, D. Benelli, G. Berry, E. Cutts, D. Garabedian, A. Hakala, J. Heintz, U. Hogan, J. M. Jesus, O. Laird, E. Landsberg, G. Mao, Z. Narain, M. Piperov, S. Sagir, S. Spencer, E. Syarif, R. Breedon, R. Breto, G. Burns, D. Sanchez, M. Calderon De La Barca Chauhan, S. Chertok, M. Conway, J. Conway, R. Cox, P. T. Erbacher, R. Flores, C. Funk, G. Gardner, M. Ko, W. Lander, R. Mclean, C. Mulhearn, M. Pellett, D. Pilot, J. Ricci-Tam, F. Shalhout, S. Smith, J. Squires, M. Stolp, D. Tripathi, M. Wilbur, S. Yohay, R. Cousins, R. Everaerts, P. Florent, A. Hauser, J. Ignatenko, M. Saltzberg, D. Takasugi, E. Valuev, V. Weber, M. Burt, K. Clare, R. Ellison, J. Gary, J. W. Hanson, G. Heilman, J. Jandir, P. Kennedy, E. Lacroix, F. Long, O. R. Negrete, M. Olmedo Paneva, M. I. Shrinivas, A. Wei, H. Wimpenny, S. Yates, B. R. Branson, J. G. Cerati, G. B. Cittolin, S. Derdzinski, M. Gerosa, R. Holzner, A. Klein, D. Krutelyov, V. Letts, J. Macneill, I. Olivito, D. Padhi, S. Pieri, M. Sani, M. Sharma, V. Simon, S. Tadel, M. Vartak, A. Wasserbaech, S. Welke, C. Wood, J. Wuerthwein, F. Yagil, A. Della Porta, G. Zevi Bhandari, R. Bradmiller-Feld, J. Campagnari, C. Dishaw, A. Dutta, V. Flowers, K. Sevilla, M. Franco Geffert, P. George, C. Golf, F. Gouskos, L. Gran, J. Heller, R. Incandela, J. Mccoll, N. Mullin, S. D. Ovcharova, A. Richman, J. Stuart, D. Suarez, I. West, C. Yoo, J. Anderson, D. Apresyan, A. Bendavid, J. Bornheim, A. Bunn, J. Chen, Y. Duarte, J. Lawhorn, J. M. Mott, A. Newman, H. B. Pena, C. Spiropulu, M. Vlimant, J. R. Xie, S. Zhu, R. Y. Andrews, M. B. Azzolini, V. Ferguson, T. Paulini, M. Russ, J. Sun, M. Vogel, H. Vorobiev, I. Cumalat, J. P. Ford, W. T. Jensen, F. Johnson, A. Krohn, M. Mulholland, T. Stenson, K. Wagner, S. R. Alexander, J. Chaves, J. Chu, J. Dittmer, S. Mcdermott, K. Mirman, N. Kaufman, G. Nicolas Patterson, J. R. Rinkevicius, A. Ryd, A. Skinnari, L. Soffi, L. Tan, S. M. Tao, Z. Thom, J. Tucker, J. Wittich, P. Zientek, M. Winn, D. Abdullin, S. Albrow, M. Apollinari, G. Banerjee, S. Bauerdick, L. A. T. Beretvas, A. Berryhill, J. Bhat, P. C. Bolla, G. Burkett, K. Butler, J. N. Cheung, H. W. K. Chlebana, F. Cihangir, S. Cremonesi, M. Elvira, V. D. Fisk, I. Freeman, J. Gottschalk, E. Gray, L. Green, D. Gruenendahl, S. Gutsche, O. Hare, D. Harris, R. M. Hasegawa, S. Hirschauer, J. Hu, Z. Jayatilaka, B. Jindariani, S. Johnson, M. Joshi, U. Klima, B. Kreis, B. Lammel, S. Linacre, J. Lincoln, D. Lipton, R. Liu, T. Lopes De Sa, R. Lykken, J. Maeshima, K. Magini, N. Marraffino, J. M. Maruyama, S. Mason, D. McBride, P. Merkel, P. Mrenna, S. Nahn, S. Newman-Holmes, C. O'Dell, V. Pedro, K. Prokofyev, O. Rakness, G. Ristori, L. Sexton-Kennedy, E. Soha, A. Spalding, W. J. Spiegel, L. Stoynev, S. Strobbe, N. Taylor, L. Tkaczyk, S. Tran, N. V. Uplegger, L. Vaandering, E. W. Vernieri, C. Verzocchi, M. Vidal, R. Wang, M. Weber, H. A. Whitbeck, A. Acosta, D. Avery, P. Bortignon, P. Bourilkov, D. Brinkerhoff, A. Carnes, A. Carver, M. Curry, D. Das, S. Field, R. D. Furic, I. K. Konigsberg, J. Korytov, A. Ma, P. Matchev, K. Mei, H. Milenovic, P. Mitselmakher, G. Rank, D. Shchutska, L. Sperka, D. Thomas, L. Wang, J. Wang, S. Yelton, J. Linn, S. Markowitz, P. Martinez, G. Rodriguez, J. L. Ackert, A. Adams, J. R. Adams, T. Askew, A. Bein, S. Diamond, B. Hagopian, S. Hagopian, V. Johnson, K. F. Khatiwada, A. Prosper, H. Santra, A. Weinberg, M. Baarmand, M. M. Bhopatkar, V. Colafranceschi, S. Hohlmann, M. Noonan, D. Roy, T. Yumiceva, F. Adams, M. R. Apanasevich, L. Berry, D. Betts, R. R. Bucinskaite, I. Cavanaugh, R. Evdokimov, O. Gauthier, L. Gerber, C. E. Hofman, D. J. Kurt, P. O'Brien, C. Gonzalez, I. D. Sandoval Turner, P. Varelas, N. Wang, H. Wu, Z. Zakaria, M. Zhang, J. Bilki, B. Clarida, W. Dilsiz, K. Durgut, S. Gandrajula, R. P. Haytmyradov, M. Khristenko, V. Merlo, J. -P. Mermerkaya, H. Mestvirishvili, A. Moeller, A. Nachtman, J. Ogul, H. Onel, Y. Ozok, F. Penzo, A. Snyder, C. Tiras, E. Wetzel, J. Yi, K. Anderson, I. Blumenfeld, B. Cocoros, A. Eminizer, N. Fehling, D. Feng, L. Gritsan, A. V. Maksimovic, P. Osherson, M. Roskes, J. Sarica, U. Swartz, M. Xiao, M. Xin, Y. You, C. Al-bataineh, A. Baringer, P. Bean, A. Boren, S. Bowen, J. Bruner, C. Castle, J. Forthomme, L. Kenny, R. P., III Kropivnitskaya, A. Majumder, D. Mcbrayer, W. Murray, M. Sanders, S. Stringer, R. Takaki, J. D. Tapia Wang, Q. Ivanov, A. Kaadze, K. Khalil, S. Makouski, M. Maravin, Y. Mohammadi, A. Saini, L. K. Skhirtladze, N. Toda, S. Rebassoo, F. Wright, D. Anelli, C. Baden, A. Baron, O. Belloni, A. Calvert, B. Eno, S. C. Ferraioli, C. Gomez, J. A. Hadley, N. J. Jabeen, S. Kellogg, R. G. Kolberg, T. Kunkle, J. Lu, Y. Mignerey, A. C. Shin, Y. H. Skuja, A. Tonjes, M. B. Tonwar, S. C. Abercrombie, D. Allen, B. Apyan, A. Barbieri, R. Baty, A. Bi, R. Bierwagen, K. Brandt, S. Busza, W. Cali, I. A. Demiragli, Z. Di Matteo, L. Ceballos, G. Gomez Goncharov, M. Hsu, D. Iiyama, Y. Innocenti, G. M. Klute, M. Kovalskyi, D. Krajczar, K. Lai, Y. S. Lee, Y. -J. Levin, A. Luckey, P. D. Marini, A. C. Mcginn, C. Mironov, C. Narayanan, S. Niu, X. Paus, C. Roland, C. Roland, G. Salfeld-Nebgen, J. Stephans, G. S. F. Sumorok, K. Tatar, K. Varma, M. Velicanu, D. Veverka, J. Wang, J. Wang, T. W. Wyslouch, B. Yang, M. Zhukova, V. Benvenuti, A. C. Chatterjee, R. M. Evans, A. Finkel, A. Gude, A. Hansen, P. Kalafut, S. Kao, S. C. Kubota, Y. Lesko, Z. Mans, J. Nourbakhsh, S. Ruckstuhl, N. Rusack, R. Tambe, N. Turkewitz, J. Acosta, J. G. Oliveros, S. Avdeeva, E. Bartek, R. Bloom, K. Claes, D. R. Dominguez, A. Fangmeier, C. Suarez, R. Gonzalez Kamalieddin, R. Kravchenko, I. Rodrigues, A. Malta Meier, F. Monroy, J. Siado, J. E. Snow, G. R. Stieger, B. Alyari, M. Dolen, J. George, J. Godshalk, A. Harrington, C. Iashvili, I. Kaisen, J. Kharchilava, A. Kumar, A. Parker, A. Rappoccio, S. Roozbahani, B. Alverson, G. Barberis, E. Baumgartel, D. Hortiangtham, A. Knapp, B. Massironi, A. Morse, D. M. Nash, D. Orimoto, T. De Lima, R. Teixeira Trocino, D. Wang, R. -J. Wood, D. Bhattacharya, S. Hahn, K. A. Kubik, A. Kumar, A. Low, J. F. Mucia, N. Odell, N. Pollack, B. Schmitt, M. H. Sung, K. Trovato, M. Velasco, M. Dev, N. Hildreth, M. Anampa, K. Hurtado Jessop, C. Karmgard, D. J. Kellams, N. Lannon, K. Marinelli, N. Meng, F. Mueller, C. Musienko, Y. Planer, M. Reinsvold, A. Ruchti, R. Smith, G. Taroni, S. Wayne, M. Wolf, M. Woodard, A. Alimena, J. Antonelli, L. Brinson, J. Bylsma, B. Durkin, L. S. Flowers, S. Francis, B. Hart, A. Hill, C. Hughes, R. Ji, W. Liu, B. Luo, W. Puigh, D. Winer, B. L. Wulsin, H. W. Cooperstein, S. Driga, O. Elmer, P. Hardenbrook, J. Hebda, P. Lange, D. Luo, J. Marlow, D. Medvedeva, T. Mei, K. Mooney, M. Olsen, J. Palmer, C. Piroue, P. Stickland, D. Tully, C. Zuranski, A. Malik, S. Barker, A. Barnes, V. E. Folgueras, S. Gutay, L. Jha, M. K. Jones, M. Jung, A. W. Jung, K. Miller, D. H. Neumeister, N. Shi, X. Sun, J. Svyatkovskiy, A. Wang, F. Xie, W. Xu, L. Parashar, N. Stupak, J. Adair, A. Akgun, B. Chen, Z. Ecklund, K. M. Geurts, F. J. M. Guilbaud, M. Li, W. Michlin, B. Northup, M. Padley, B. P. Redjimi, R. Roberts, J. Rorie, J. Tu, Z. Zabel, J. Betchart, B. Bodek, A. de Barbaro, P. Demina, R. Duh, Y. t. Ferbel, T. Galanti, M. Garcia-Bellido, A. Han, J. Hindrichs, O. Khukhunaishvili, A. Lo, K. H. Tan, P. Verzetti, M. Chou, J. P. Contreras-Campana, E. Gershtein, Y. Gomez Espinosa, T. A. Halkiadakis, E. Heindl, M. Hidas, D. Hughes, E. Kaplan, S. Elayavalli, R. Kunnawalkam Kyriacou, S. Lath, A. Nash, K. Saka, H. Salur, S. Schnetzer, S. Sheffield, D. Somalwar, S. Stone, R. Thomas, S. Thomassen, P. Walker, M. Foerster, M. Heideman, J. Riley, G. Rose, K. Spanier, S. Thapa, K. Bouhali, O. Celik, A. Dalchenko, M. De Mattia, M. Delgado, A. Dildick, S. Eusebi, R. Gilmore, J. Huang, T. Juska, E. Kamon, T. Mueller, R. Pakhotin, Y. Patel, R. Perloff, A. Pernie, L. Rathjens, D. Rose, A. Safonov, A. Tatarinov, A. Ulmer, K. A. Akchurin, N. Cowden, C. Damgov, J. Dragoiu, C. Dudero, P. R. Faulkner, J. Kunori, S. Lamichhane, K. Lee, S. W. Libeiro, T. Undleeb, S. Volobouev, I. Wang, Z. Delannoy, A. G. Greene, S. Gurrola, A. Janjam, R. Johns, W. Maguire, C. Melo, A. Ni, H. Sheldon, P. Tuo, S. Velkovska, J. Xu, Q. Arenton, M. W. Barria, P. Cox, B. Goodell, J. Hirosky, R. Ledovskoy, A. Li, H. Neu, C. Sinthuprasith, T. Wang, Y. Wolfe, E. Xia, F. Clarke, C. Harr, R. Karchin, P. E. Lamichhane, P. Sturdy, J. Belknap, D. A. Dasu, S. Dodd, L. Duric, S. Gomber, B. Grothe, M. Herndon, M. Herve, A. Klabbers, P. Lanaro, A. Levine, A. Long, K. Loveless, R. Ojalvo, I. Perry, T. Pierro, G. A. Polese, G. Ruggles, T. Savin, A. Sharma, A. Smith, N. Smith, W. H. Taylor, D. Woods, N. CA CMS Collaboration TI Search for Resonant Production of High-Mass Photon Pairs in Proton-Proton Collisions at root s=8 and 13 TeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID PP COLLISIONS; FINAL-STATE; HIERARCHY; NARROW AB A search for the resonant production of high-mass photon pairs is presented. The analysis is based on samples of proton-proton collision data collected by the CMS experiment at center-of-mass energies of 8 and 13 TeV, corresponding to integrated luminosities of 19.7 and 3.3 fb(-1), respectively. The interpretation of the search results focuses on spin-0 and spin-2 resonances with masses between 0.5 and 4 TeV and with widths, relative to the mass, between 1.4 x 10(-4) and 5.6 x 10(-2). Limits are set on scalar resonances produced through gluon-gluon fusion, and on Randall-Sundrum gravitons. A modest excess of events compatible with a narrow resonance with a mass of about 750 GeV is observed. The local significance of the excess is approximately 3.4 standard deviations. The significance is reduced to 1.6 standard deviations once the effect of searching under multiple signal hypotheses is considered. More data are required to determine the origin of this excess. C1 [Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.] Yerevan Phys Inst, Yerevan, Armenia. [Adam, W.; Asilar, E.; Bergauer, T.; Brandstetter, J.; Brondolin, E.; Dragicevic, M.; Ero, J.; Flechl, M.; Friedl, M.; Fruehwirth, R.; Ghete, V. M.; Hartl, C.; Hoermann, N.; Hrubec, J.; Jeitler, M.; Koenig, A.; Kraetschmer, I.; Liko, D.; Matsushita, T.; Mikulec, I.; Rabady, D.; Rad, N.; Rahbaran, B.; Rohringer, H.; Schieck, J.; Strauss, J.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C. -E.] Inst Hochenergiephys OeAW, Vienna, Austria. [Mossolov, V.; Shumeiko, N.; Gonzalez, J. Suarez] Natl Ctr Particle & High Energy Phys, Minsk, Byelarus. [Alderweireldt, S.; De Wolf, E. A.; Janssen, X.; Lauwers, J.; De Klundert, M. Van; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.] Univ Antwerp, Antwerp, Belgium. [Van Spilbeeck, A.; Abu Zeid, S.; Blekman, F.; D'Hondt, J.; Daci, N.; De Bruyn, I.; Deroover, K.; Heracleous, N.; Lowette, S.; Moortgat, S.; Moreels, L.; Olbrechts, A.; Python, Q.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Parijs, I.] Vrije Univ Brussel, Brussels, Belgium. [Brun, H.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Delannoy, H.; Fasanella, G.; Favart, L.; Goldouzian, R.; Grebenyuk, A.; Karapostoli, G.; Lenzi, T.; Leonard, A.; Luetic, J.; Maerschalk, T.; Marinov, A.; Randle-conde, A.; Seva, T.; Velde, C. Vander; Vanlaer, P.; Yonamine, R.; Zenoni, F.; Zhang, F.] Univ Libre Bruxelles, Brussels, Belgium. [Cimmino, A.; Cornelis, T.; Dobur, D.; Fagot, A.; Garcia, G.; Gul, M.; Poyraz, D.; Salva, S.; Schoefbeck, R.; Tytgat, M.; Van Driessche, W.; Yazgan, E.; Zaganidis, N.] Univ Ghent, Ghent, Belgium. [Bakhshiansohi, H.; Beluffi, C.; Bondu, O.; Brochet, S.; Bruno, G.; Caudron, A.; De Visscher, S.; Delaere, C.; Delcourt, M.; Francois, B.; Giammanco, A.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Magitteri, A.; Mertens, A.; Musich, M.; Nuttens, C.; Piotrzkowski, K.; Quertenmont, L.; Selvaggi, M.; Marono, M. Vidal; Wertz, S.; Aleksandrov, A.; Avetisyan, A.] Catholic Univ Louvain, Louvain La Neuve, Belgium. [Beliy, N.; Sulimov, V.] Univ Mons, Mons, Belgium. [Alda Junior, W. L.; Alves, F. L.; Alves, G. A.; Brito, L.; Hensel, C.; Moraes, A.; Pol, M. E.; Rebello Teles, P.] Ctr Brasileiro Pesquisas Fis, Rio De Janeiro, Brazil. [Belchior Batista Das Chagas, E.; Carvalho, W.; Chinellato, J.; Custodio, A.; Da Costa, E. M.; Da Silveira, G. G.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Huertas Guativa, L. M.; Malbouisson, H.; Matos Figueiredo, D.; Mora Herrera, C.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.] Univ Estado Rio De Janeiro, Rio De Janeiro, Brazil. [Ahuja, S.; Dogra, S.; Fernandez Perez Tomei, T. R.; Moon, C. S.; Novaes, S. F.; Padula, Sandra S.; Ruiz Vargas, J. C.] Univ Estadual Paulista, Sao Paulo, Brazil. [Bernardes, C. A.; Gregores, E. M.; Mercadante, P. G.; Romero Abad, D.] Univ Fed ABC, Sao Paulo, Brazil. [Aleksandrov, A.; Hadjiiska, R.; Iaydjiev, P.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.] Inst Nucl Energy Res, Sofia, Bulgaria. [Dimitrov, A.; Glushkov, I.; Litov, L.; Pavlov, B.; Petkov, P.] Univ Sofia, Sofia, Bulgaria. [Fang, W.] Beihang Univ, Beijing, Peoples R China. [Ahmad, M.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Chen, Y.; Cheng, T.; Jiang, C. H.; Leggat, D.; Liu, Z.; Romeo, F.; Shaheen, S. M.; Spiezia, A.; Tao, J.; Wang, C.; Wang, Z.; Zhang, H.; Zhao, J.] Inst High Energy Phys, Beijing, Peoples R China. [Ban, Y.; Chen, G.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Xu, Z.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing, Peoples R China. [Avila, C.; Cabrera, A.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gonzalez Hernandez, C. F.; Ruiz Alvarez, J. D.; Sanabria, J. C.] Univ Los Andes, Bogota, Colombia. [Godinovic, N.; Lelas, D.; Puljak, I.; Cipriano, P. M. Ribeiro; Sculac, T.] Univ Split, Fac Elect Engn Mech Engn & Naval Architecture, Split, Croatia. [Antunovic, Z.; Kovac, M.] Univ Split, Fac Sci, Split, Croatia. [Brigljevic, V.; Ferencek, D.; Kadija, K.; Micanovic, S.; Sudic, L.; Susa, T.] Rudjer Boskovic Inst, Zagreb, Croatia. [Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.] Univ Cyprus, Nicosia, Cyprus. [Finger, M.; Finger, M., Jr.] Charles Univ Prague, Prague, Czech Republic. [Jarrin, E. Carrera; Assran, Y.] Univ San Francisco Quito, Quito, Ecuador. [Elkafrawy, T.; Mahrous, A.] Acad Sci Res & Technol Arab Republ Egypt, Egyptian Network High Energy Phys, Cairo, Egypt. [Calpas, B.; Kadastik, M.; Murumaa, M.; Perrini, L.; Raidal, M.; Tiko, A.; Veelken, C.] NICPB, Tallinn, Estonia. [Eerola, P.; Pekkanen, J.; Voutilainen, M.] Univ Helsinki, Dept Phys, Helsinki, Finland. [Harkonen, J.; Karimaki, V.; Kinnunen, R.; Lampen, T.; Lassila-Perini, K.; Lehti, S.; Linden, T.; Luukka, P.; Peltola, T.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.] Helsinki Inst Phys, Helsinki, Finland. [Talvitie, J.; Tuuva, T.] Lappeenranta Univ Technol, Lappeenranta, Finland. [Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Ghosh, S.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Kucher, I.; Locci, E.; Machet, M.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Zghiche, A.] CEA Saclay, DSM IRFU, Gif Sur Yvette, France. [Abdulsalam, A.; Antropov, I.; Baffioni, S.; Beaudette, F.; Busson; Cadamuro, L.; Chapon, E.; Charlot, C.; Davignon, O.; de Cassagnac, R. Granier; Jo, M.; Lisniak, S.; Mine, P.; Nguyen, M.; Ochando, C.; Ortona, G.; Paganini, P.; Pigard, P.; Regnard, S.; Salerno, R.; Sirois, Y.; Strebler, T.; Yilmaz, Y.; Zabi, A.] Ecole Polytech, IN2P3 CNRS, Lab Leprince Ringuet, Palaiseau, France. [Agram, J. -L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J. -M.; Buttignol, M.; Chabert, E. C.; Chanon, N.; Collard, C.; Conte, E.; Coubez, X.; Fontaine, J. -C.; Gele, D.; Goerlach, U.; Le Bihan, A. -C.; Merlin, J. A.; Skovpen, K.; Van Hove, P.] Univ Haute Alsace Mulhouse, Univ Strasbourg, CNRS IN2P3, Inst Pluridisciplinaire Hubert Curien, Strasbourg, France. [Gadrat, S.] CNRS IN2P3, Ctr Calcul Inst Natl Phys Nucl & Phys Particules, Villeurbanne, France. [Beauceron, S.; Bernet, C.; Boudoul, G.; Bouvier, E.; Montoya, C. A. Carrillo; Chierici, R.; Contardo, D.; Courbon, B.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Grenier, G.; Ille, B.; Lagarde, F.; Laktineh, I. B.; Lethuillier, M.; Mirabito, L.; Pequegnot, A. L.; Perries, S.; Popov, A.; Sabes, D.; Sordini, V.; Donckt, M. Vander; Verdier, P.; Viret, S.] Univ Claude Bernard, CNRS IN2P3, Inst Phys Nucl Lyon, Villeurbanne, France. [Toriashvili, T.] Georgian Inst Technol, Tbilisi, Rep of Georgia. [Tsamalaidze, Z.] Tbilisi State Univ, Tbilisi, Rep of Georgia. [Autermann, C.; Beranek, S.; Feld, L.; Heister, A.; Kiesel, M. K.; Klein, K.; Lipinski, M.; Ostapchuk, A.; Preuten, M.; Raupach, F.; Schael, S.; Schomakers, C.; Schulte, J. F.; Schulz, J.; Verlage, T.; Weber, H.; Zhukov, V.] Rhein Westfal TH Aachen, Inst Phys 1, Aachen, Germany. [Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Endres, M.; Erdmann, M.; Erdweg, S.; Esch, T.; Fischer, R.; Gueth, A.; Hamer, M.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Knutzen, S.; Merschmeyer, M.; Meyer, A.; Millet, P.; Mukherjee, S.; Olschewski, M.; Padeken, K.; Pook, T.; Radziej, M.; Reithler, H.; Rieger, M.; Scheuch, F.; Sonnenschein, L.; Teyssier, D.; Thueer, S.] Rhein Westfal TH Aachen, Inst Phys 3 A, Aachen, Germany. [Cherepanov, V.; Fluegge, G.; Ahmad, W. Haj; Hoehle, F.; Kargoll, B.; Kress, T.; Kuensken, A.; Lingemann, J.; Mueller, T.; Nehrkorn, A.; Nowack, A.; Nugent, I. M.; Pooth, O.; Stahl, A.] Rhein Westfal TH Aachen, Inst Phys 3 B, Aachen, Germany. [Martin, M. Aldaya; Asawatangtrakuldee, C.; Beernaert, K.; Behnke, O.; Behrens, U.; Bin Anuar, A. A.; Borras, K.; Campbell, A.; Connor, P.; Contreras-Campana, C.; Costanza, F.; Pardos, C. Diez; Dolinska, G.; Eckerlin, G.; Eckstein, D.; Eren, E.; Gallo, E.; Garcia, J. Garay; Geiser, A.; Gizhko, A.; Luyando, J. M. Grados; Gunnellini, P.; Harb, A.; Hauk, J.; Hempel, M.; Jung, H.; Kalogeropoulos, A.; Karacheban, O.; Kasemann, M.; Keaveney, J.; Kieseler, J.; Kleinwort, C.; Korol, I.; Kruecker, D.; Lange, W.; Lelek, A.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Mankel, R.; Melzer-Pellmann, I. -A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Ntomari, E.; Pitzl, D.; Raspereza, A.; Roland, B.; Sahin, M. O.; Saxena, P.; Schoerner-Sadenius, T.; Seitz, C.; Spannagel, S.; Stefaniuk, N.; Trippkewitz, K. D.; Van Onsem, G. P.; Walsh, R.; Wissing, C.] DESY, Hamburg, Germany. [Blobel, V.; Vignali, M. Centis; Draeger, A. R.; Dreyer, T.; Garutti, E.; Gonzalez, D.; Haller, J.; Hoffmann, M.; Junkes, A.; Klanner, R.; Kogler, R.; Kovalchuk, N.; Lapsien, T.; Lenz, T.; Marchesini, I.; Marconi, D.; Meyer, M.; Niedziela, M.; Nowatschin, D.; Pantaleo, F.; Peiffer, T.; Perieanu, A.; Poehlsen, J.; Sander, C.; Scharf, C.; Schleper, P.; Schmidt, A.; Schumann, S.; Schwandt, J.; Stadie, H.; Steinbrueck, G.; Stober, F. M.; Stoever, M.; Tholen, H.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Vormwald, B.] Univ Hamburg, Hamburg, Germany. [Barth, C.; Baus, C.; Berger, J.; Butz, E.; Chwalek, T.; Colombo, F.; De Boer, W.; Dierlamm, A.; Fink, S.; Friese, R.; Giffels, M.; Gilbert, A.; Goldenzweig, P.; Haitz, D.; Hartmann, F.; Heindl, S. M.; Husemann, U.; Katkov, I.; Pardo, P. Lobelle; Maier, B.; Mildner, H.; Mozer, M. U.; Mueller, Th.; Plagge, M.; Quast, G.; Rabbertz, K.; Roecker, S.; Roscher, F.; Schroeder, M.; Shvetsov, I.; Sieber, G.; Simonis, H. J.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weber, M.; Weiler, T.; Williamson, S.; Woehrmann, C.; Wolf, R.] Inst Expt Kernphys, Karlsruhe, Germany. [Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Topsis-Giotis, I.] NCSR Demokritos, INPP, Aghia Paraskevi, Greece. [Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Tziaferi, E.] Univ Athens, Athens, Greece. [Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Loukas, N.; Manthos, N.; Papadopoulos, I.; Paradas, E.] Univ Ioannina, Ioannina, Greece. [Filipovic, N.] Eotvos Lorand Univ, MTA ELTE Lendulet CMS Particle & Nucl Phys Grp, Budapest, Hungary. [Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.] Wigner Res Ctr Phys, Budapest, Hungary. [Beni, N.; Czellar, S.; Karancsi, J.; Makovec, A.; Molnar, J.; Szillasi, Z.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Bartok, M.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.] Univ Debrecen, Debrecen, Hungary. [Bahinipati, S.; Choudhury, S.; Mal, P.; Mandal, K.; Nayak, A.; Sahoo, D. K.; Sahoo, N.; Swain, S. K.] Natl Inst Sci Educ & Res, Bhubaneswar, Orissa, India. [Bansal, S.; Beri, S. B.; Bhatnagar, V.; Chawla, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, A.; Kaur, M.; Kumar, R.; Mehta, A.; Mittal, M.; Singh, J. B.; Walia, G.] Panjab Univ, Chandigarh, India. [Kumar, Ashok; Bhardwaj, A.; Choudhary, B. C.; Garg, R. B.; Keshri, S.; Malhotra, S.; Naimuddin, M.; Nishu, N.; Ranjan, K.; Sharma, R.; Sharma, V.] Univ Delhi, Delhi, India. [Bhattacharya, R.; Bhattacharya, S.; Chatterjee, K.; Dey, S.; Dutt, S.; Dutta, S.; Ghosh, S.; Majumdar, N.; Modak, A.; Mondal, K.; Mukhopadhyay, S.; Nandan, S.; Purohit, A.; Roy, A.; Roy, D.; Chowdhury, S. Roy; Sarkar, S.; Sharan, M.; Thakur, S.] Saha Inst Nucl Phys, Kolkata, India. [Behera, P. K.] Indian Inst Technol Madras, Madras, Tamil Nadu, India. [Chudasama, R.; Dutta, D.; Jha, V.; Kumar, V.; Mohanty, A. K.; Netrakanti, P. K.; Pant, L. M.; Shukla, P.; Topkar, A.] Bhabha Atom Res Ctr, Mumbai, Maharashtra, India. [Aziz, T.; Dugad, S.; Kole, G.; Mahakud, B.; Mitra, S.; Mohanty, G. B.; Parida, B.; Sur, N.; Sutar, B.] Tata Inst Fundamental Res A, Mumbai, Maharashtra, India. [Banerjee, S.; Bhowmik, S.; Dewanjee, R. K.; Ganguly, S.; Guchait, M.; Jain, Sa.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Sarkar, T.; Wickramage, N.] Tata Inst Fundamental Res B, Mumbai, Maharashtra, India. [Chauhan, S.; Dube, S.; Hegde, V.; Kapoor, A.; Kothekar, K.; Rane, A.; Sharma, S.] IISER, Pune, Maharashtra, India. [Behnamian, H.; Chenarani, S.; Tadavani, E. Eskandari; Etesami, S. M.; Fahim, A.; Khakzad, M.; Najafabadi, M. Mohammadi; Naseri, M.; Mehdiabadi, S. Paktinat; Hosseinabadi, F. Rezaei; Safarzadeh, B.; Zeinali, M.] Inst Res Fundamental Sci IPM, Tehran, Iran. [Felcini, M.; Grunewald, M.] Univ Coll Dublin, Dublin, Ireland. [Abbrescia, M.; Calabria, C.; Caputo, C.; Colaleo, A.; Creanza, D.; Cristella, L.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Ranieri, A.; Selvaggi, G.; Silvestris, L.; Venditti, R.; Verwilligen, P.] Ist Nazl Fis Nucl, Sez Bari, Bari, Italy. [Abbrescia, M.; Calabria, C.; Caputo, C.; Cristella, L.; De Palma, M.; Miniello, G.; My, S.; Nuzzo, S.; Pompili, A.; Radogna, R.; Selvaggi, G.; Venditti, R.] Univ Bari, Bari, Italy. [Creanza, D.; De Filippis, N.; Iaselli, G.; Maggi, G.; Maggi, M.; Pugliese, G.] Politecn Bari, Bari, Italy. [Abbiendi, G.; Battilana, C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.] Ist Nazl Fis Nucl, Sez Bologna, Bologna, Italy. [Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Chhibra, S. S.; Codispoti, G.; Cuffiani, M.; Fanfani, A.; Fasanella, D.; Guiducci, L.; Navarria, F. L.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.] Univ Bologna, Bologna, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Di Mattia, A.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] INFN, Sez Catania, Catania, Italy. [Albergo, S.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.] Univ Catania, Catania, Italy. [Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Viliani, L.] INFN, Sez Firenze, Florence, Italy. [Ciulli, V.; D'Alessandro, R.; Focardi, E.; Gori, V.; Lenzi, P.; Viliani, L.] Univ Firenze, Florence, Italy. [Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Primavera, F.] Ist Nazl Fis Nucl, Lab Nazl Frascati, Frascati, Italy. [Calvelli, V.; Ferro, F.; Lo Vetere, M.; Monge, M. R.; Robutti, E.; Tosi, S.] INFN, Sez Genova, Genoa, Italy. [Calvelli, V.; Lo Vetere, M.; Monge, M. R.; Tosi, S.] Univ Genoa, Genoa, Italy. [Brianza, L.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Ghezzi, A.; Govoni, P.; Malberti, M.; Malvezzi, S.; Manzoni, R. A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Pigazzini, S.; Ragazzi, S.; de Fatis, T. Tabarelli] INFN, Sez Milano Bicocca, Milan, Italy. [Dinardo, M. E.; Fiorendi, S.; Ghezzi, A.; Govoni, P.; Manzoni, R. A.; Marzocchi, B.; Paganoni, M.; Ragazzi, S.; de Fatis, T. Tabarelli] Univ Milano Bicocca, Milan, Italy. [Buontempo, S.; Cavallo, N.; De Nardo, G.; Di Guida, S.; Esposito, M.; Fabozzi, F.; Iorio, A. O. M.; Lanza, G.; Lista, L.; Meola, S.; Paolucci, P.; Sciacca, C.; Thyssen, F.] INFN, Sez Napoli, Rome, Italy. [Esposito, M.; Iorio, A. O. M.; Sciacca, C.] Univ Naples Federico II, Rome, Italy. [Cavallo, N.; Fabozzi, F.] Univ Basilicata, Rome, Italy. [Di Guida, S.; Meola, S.] Univ G Marconi, Rome, Italy. [Azzi, P.; Bacchetta, N.; Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; De Oliveira, A. Carvalho Antunes; Checchia, P.; Dall'Osso, M.; Manzano, P. De Castro; Dorigo, T.; Dosselli, U.; Gasparini, F.; Gasparini, U.; Gozzelino, A.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Zanetti, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.] INFN, Sez Padova, Padua, Italy. [Benato, L.; Bisello, D.; Boletti, A.; Carlin, R.; De Oliveira, A. Carvalho Antunes; Dall'Osso, M.; Gasparini, F.; Gozzelino, A.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Zotto, P.; Zucchetta, A.; Zumerle, G.] Univ Padua, Padua, Italy. Univ Trento, Trento, Italy. [Braghieri, A.; Magnani, A.; Montagna, P.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vai, I.; Vitulo, P.] INFN, Sez Pavia, Pavia, Italy. [Magnani, A.; Montagna, P.; Ratti, S. P.; Riccardi, C.; Vai, I.; Vitulo, P.] Univ Pavia, Pavia, Italy. [Solestizi, L. Alunni; Bilei, G. M.; Ciangottini, D.; Fano, L.; Lariccia, P.; Leonardi, R.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.] INFN, Sez Perugia, Perugia, Italy. [Solestizi, L. Alunni; Ciangottini, D.; Fano, L.; Lariccia, P.; Leonardi, R.; Mantovani, G.; Santocchia, A.] Univ Perugia, Perugia, Italy. [Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fedi, G.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.] INFN, Sez Pisa, Pisa, Italy. [Martini, L.; Messineo, A.; Rizzi, A.; Tonelli, G.] Univ Pisa, Pisa, Italy. [Donato, S.; Ligabue, F.] Scuola Normale Super Pisa, Pisa, Italy. [Barone, L.; Cavallari, F.; Cipriani, M.; D'imperio, G.; Del Re, D.; Diemoz, M.; Gelli, S.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Organtini, G.; Paramatti, R.; Preiato, F.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.] INFN, Sez Roma, Rome, Italy. [Barone, L.; Cipriani, M.; D'imperio, G.; Del Re, D.; Gelli, S.; Longo, E.; Margaroli, F.; Organtini, G.; Preiato, F.; Rahatlou, S.; Santanastasio, F.] Univ Rome, Rome, Italy. [Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bartosik, N.; Bellan, R.; Biino, C.; Cartiglia, N.; Cenna, F.; Costa, M.; Covarelli, R.; Degano, A.; Demaria, N.; Finco, L.; Kiani, B.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Monteil, E.; Obertino, M. M.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Angioni, G. L. Pinna; Ravera, F.; Romero, A.; Ruspa, M.; Sacchi, R.; Shchelina, K.; Sola, V.; Solano, A.; Staiano, A.; Traczyk, P.; Ackert, A.] INFN, Sez Torino, Turin, Italy. [Amapane, N.; Argiro, S.; Bellan, R.; Cenna, F.; Costa, M.; Covarelli, R.; Degano, A.; Finco, L.; Kiani, B.; Mariotti, C.; Migliore, E.; Monaco, V.; Monteil, E.; Obertino, M. M.; Pacher, L.; Angioni, G. L. Pinna; Ravera, F.; Romero, A.; Sacchi, R.; Shchelina, K.; Solano, A.; Traczyk, P.] Univ Turin, Turin, Italy. [Arcidiacono, R.; Arneodo, M.; Ruspa, M.] Univ Piemonte Orientale, Novara, Italy. [Belforte, S.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; La Licata, C.; Schizzi, A.; Zanetti, A.] INFN, Sez Trieste, Trieste, Italy. [La Licata, C.; Schizzi, A.] Univ Trieste, Trieste, Italy. [Kim, D. H.; Kim, G. N.; Kim, M. S.; Lee, S.; Lee, S. W.; Oh, Y. D.; Sekmen, S.; Son, D. C.; Yang, Y. C.] Kyungpook Natl Univ, Daegu, South Korea. [Lee, A.] Chonbuk Natl Univ, Jeonju, South Korea. [Cifuentes, J. A. Brochero; Kim, T. J.] Hanyang Univ, Seoul, South Korea. [Cho, S.; Choi, S.; Go, Y.; Gyun, D.; Ha, S.; Hong, B.; Jo, Y.; Kim, Y.; Lee, B.; Lee, K.; Lee, K. S.; Lee, S.; Lim, J.; Park, S. K.; Roh, Y.] Korea Univ, Seoul, South Korea. [Almond, J.; Kim, J.; Lee, H.; Oh, S. B.; Radburn-Smith, B. C.; Seo, S. H.; Yang, U. K.; Yoo, H. D.; Yu, G. B.] Seoul Natl Univ, Seoul, South Korea. [Choi, M.; Kim, H.; Kim, J. H.; Lee, J. S. H.; Park, I. C.; Ryu, G.; Ryu, M. S.] Univ Seoul, Seoul, South Korea. [Choi, Y.; Goh, J.; Hwang, C.; Lee, J.; Yu, I.] Sungkyunkwan Univ, Suwon, South Korea. [Dudenas, V.; Juodagalvis, A.; Vaitkus, J.] Vilnius Univ, Vilnius, Lithuania. [Ahmed, I.; Ibrahim, Z. A.; Komaragiri, J. R.; Ali, M. A. B. Md; Idris, F. Mohamad; Wan Abdullah, W. A. T.; Yusli, M. N.; Zolkapli, Z.] Univ Malaya, Natl Ctr Particle Phys, Kuala Lumpur, Malaysia. [Castilla-Valdez, H.; De La Cruz-Burelo, E.; La Cruz, I. Heredia-De; Hernandez-Almada, A.; Lopez-Fernandez, R.; Magana Villalba, R.; Mejia Guisao, J.; Sanchez-Hernandez, A.] Ctr Invest & Estudios Avanzados IPN, Mexico City, DF, Mexico. [Carrillo Moreno, S.; Oropeza Barrera, C.; Vazquez Valencia, F.] Univ Iberoamer, Mexico City, DF, Mexico. [Carpinteyro, S.; Pedraza, I.; Salazar Ibarguen, H. A.; Uribe Estrada, C.] Benemerita Univ Autonoma Puebla, Puebla, Mexico. [Pineda, A. Morelos] Universidad Autonoma San Luis Potosi, San Luis Potosi, Mexico. [Krofcheck, D.] Univ Auckland, Auckland, New Zealand. [Butler, P. H.] Univ Canterbury, Christchurch, New Zealand. [Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khan, W. A.; Shah, M. A.; Shoaib, M.; Waqas, M.] Quaid I Azam Univ, Natl Ctr Phys, Islamabad, Pakistan. [Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Gorski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.] Natl Ctr Nucl Res, Otwock, Poland. [Bunkowski, K.; Byszuk, A.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Walczak, M.] Univ Warsaw, Fac Phys, Inst Expt Phys, Warsaw, Poland. [Bargassa, P.; Beirao Da Cruz E Silva, C.; Di Francesco, A.; Faccioli, P.; Parracho, P. G. Ferreira; Gallinaro, M.; Hollar, J.; Leonardo, N.; Iglesias, L. Lloret; Nemallapudi, M. V.; Antunes, J. Rodrigues; Seixas, J.; Toldaiev, O.; Vadruccio, D.; Varela, J.; Vischia, P.] Lab Instrumentacao & Fis Expt Particulas, Lisbon, Portugal. [Afanasiev, S.; Bunin, P.; Gavrilenko, M.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Voytishin, N.; Zarubin, A.] Joint Inst Nucl Res, Dubna, Russia. [Chtchipounov, L.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Kuznetsova, E.; Murzin, V.; Oreshkin, V.; Sulimov, V.; Vorobyev, A.] Petersburg Nucl Phys Inst, Gatchina, St Petersburg, Russia. [Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Karneyeu, A.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Epshteyn, V.] Inst Nucl Res, Moscow, Russia. [Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Pozdnyakov, I.; Safronov, G.; Spiridonov, A.; Toms, M.; Vlasov, E.; Zhokin, A.] Inst Theoret & Expt Phys, Moscow, Russia. [Chistov, R.; Rusinov, V.] Natl Res Nucl Univ Moscow Engn Phys Inst MEPhI, Moscow, Russia. [Danilov, M.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Rusakov, S. V.; Terkulov, A.] PN Lebedev Phys Inst, Moscow, Russia. [Baskakov, A.; Belyaev, A.; Boos, E.; Bunichev, V.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Miagkov, I.; Obraztsov, S.; Petrushanko, S.; Savrin, V.] Lomonosov Moscow State Univ, Skobeltsyn Inst Nucl Phys, Moscow, Russia. [Blinov, V.; Skovpen, Y.] NSU, Novosibirsk, Russia. [Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Elumakhov, D.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.] Inst High Energy Phys, State Res Ctr Russian Federat, Protvino, Russia. [Baskakov, A.; Adzic, P.; Cirkovic, P.; Devetak, D.; Dordevic, M.; Milosevic, J.; Rekovic, V.] Univ Belgrade, Fac Phys, Belgrade, Serbia. [Adzic, P.; Cirkovic, P.; Devetak, D.; Dordevic, M.; Milosevic, J.; Rekovic, V.] Vinca Inst Nucl Sci, Belgrade, Serbia. [Maestre, J. Alcaraz; Luna, M. Barrio; Calvo, E.; Cerrada, M.; Llatas, M. Chamizo; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernandez Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Perez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.] CIEMAT, Madrid, Spain. [de Troconiz, J. F.; Missiroli, M.; Moran, D.] Univ Autonoma Madrid, Madrid, Spain. [Cuevas, J.; Fernandez Menendez, J.; Gonzalez Caballero, I.; Gonzalez Fernandez, J. R.; Palencia Cortezon, E.; Sanchez Cruz, S.; Suarez Andres, I.; Vizan Garcia, J. M.] Univ Oviedo, Oviedo, Spain. [Cabrillo, I. J.; Calderon, A.; De Saa, J. R. Castineiras; Curras, E.; Fernandez, M.; Garcia-Ferrero, J.; Gomez, G.; Lopez Virto, A.; Marco, J.; Martinez Rivero, C.; Matorras, F.; Piedra Gomez, J.; Rodrigo, T.; Ruiz-Jimeno, A.; Scodellaro, L.; Trevisani, N.; Vila, I.; Vilar Cortabitarte, R.] Univ Cantabria, CSIC, IFCA, Santander, Spain. [Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Bloch, P.; Bocci, A.; Bonato, A.; Botta, C.; Camporesi, T.; Castello, R.; Cepeda, M.; Cerminara, G.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; Daponte, V.; David, A.; De Gruttola, M.; De Guio, F.; De Roeck, A.; Di Marco, E.; Dobson, M.; Dorney, B.; du Pree, T.; Duggan, D.; Duenser, M.; Dupont, N.; Elliott-Peisert, A.; Fartoukh, S.; Franzoni, G.; Fulcher, J.; Funk, W.; Gigi, D.; Gill, K.; Girone, M.; Glege, F.; Gulhan, D.; Gundacker, S.; Guthoff, M.; Hammer, J.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kirschenmann, H.; Knuenz, V.; Kornmayer, A.; Kortelainen, M. J.; Kousouris, K.; Krammer, M.; Lecoq, P.; Lourenco, C.; Lucchini, M. T.; Malgeri, L.; Mannelli, M.; Martelli, A.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Neugebauer, H.; Orfanelli, S.; Orsini, L.; Pape, L.; Perez, E.; Peruzzi, M.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Racz, A.; Reis, T.; Rolandi, G.; Rovere, M.; Ruan, M.; Sakulin, H.; Sauvan, J. B.; Schaefer, C.; Schwick, C.; Seidel, M.; Sharma, A.; Silva, P.; Simon, M.; Sphicas, P.; Steggemann, J.; Stoye, M.; Takahashi, Y.; Tosi, M.; Treille, D.; Triossi, A.; Tsirou, A.; Veckalns, V.; Veres, G. I.; Wardle, N.; Zagozdzinska, A.; Zeuner, W. D.] CERN, European Org Nucl Res, Geneva, Switzerland. [Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Rohe, T.] Paul Scherrer Inst, Villigen, Switzerland. [Bachmair, F.; Baeni, L.; Bianchini, L.; Casal, B.; Dissertori, G.; Dittmar, M.; Donega, M.; Eller, P.; Grab, C.; Heidegger, C.; Hits, D.; Hoss, J.; Kasieczka, G.; Lecomte, P.; Lustermann, W.; Mangano, B.; Marionneau, M.; Martinez Ruiz del Arbol, P.; Masciovecchio, M.; Meinhard, M. T.; Meister, D.; Micheli, F.; Musella, P.; Nessi-Tedaldi, F.; Pandolfi, F.; Pata, J.; Pauss, F.; Perrin, G.; Perrozzi, L.; Quittnat, M.; Rossini, M.; Schoenenberger, M.; Starodumov, A.; Tavolaro, V. R.; Theofilatos, K.; Wallny, R.] Swiss Fed Inst Technol, Inst Particle Phys, Zurich, Switzerland. [Aarrestad, T. K.; Amsler, C.; Caminada, L.; Canelli, M. F.; De Cosa, A.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Ngadiuba, J.; Pinna, D.; Rauco, G.; Robmann, P.; Salerno, D.; Yang, Y.] Univ Zurich, Zurich, Switzerland. [Candelise, V.; Doan, T. H.; Jain, Sh.; Khurana, R.; Konyushikhin, M.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Pozdnyakov, A.; Yu, S. S.] Natl Cent Univ, Chungli, Taiwan. [Kumar, Arun; Chang, P.; Chang, Y. H.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Fiori, F.; Hou, W. -S.; Hsiung, Y.; Liu, Y. F.; Lu, R. -S.; Minano Moya, M.; Paganis, E.; Psallidas, A.; Tsai, J. F.; Tzeng, Y. M.] NTU, Taipei, Taiwan. [Asavapibhop, B.; Singh, G.; Suwonjandee, N.] Chulalongkorn Univ, Fac Sci, Dept Phys, Bangkok, Thailand. [Cerci, S.; Damarseckin, S.; Demiroglu, Z. S.; Dozen, C.; Dumanoglu, I.; Girgis, S.; Gokbulut, G.; Guler, Y.; Hos, I.; Kangal, E. E.; Kara, O.; Topaksu, A. Kayis; Kiminsu, U.; Oglakci, M.; Onengut, G.; Ozdemir, K.; Cerci, D. Sunar; Tali, B.; Turkcapar, S.; Zorbakir, I. S.; Zorbilmez, C.] Cukurova Univ, Adana, Turkey. [Bilin, B.; Bilmis, S.; Isildak, B.; Karapinar, G.; Yalvac, M.; Zeyrek, M.] Middle East Tech Univ, Dept Phys, Ankara, Turkey. [Guelmez, E.; Kaya, M.; Kaya, O.; Yetkin, E. A.; Yetkin, T.] Bogazici Univ, Istanbul, Turkey. [Cakir, A.; Cankocak, K.; Sen, S.] Istanbul Tech Univ, Istanbul, Turkey. [Grynyov, B.] Natl Acad Sci Ukraine, Inst Scintillat Materials, Kharkov, Ukraine. [Levchuk, L.; Sorokin, P.] Kharkov Inst Phys & Technol, Natl Sci Ctr, Kharkov, Ukraine. [Aggleton, R.; Ball, F.; Beck, L.; Brooke, J. J.; Burns, D.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Sakuma, T.; El Nasr-Storey, S. Seif; Smith, D.; Smith, V. J.] Univ Bristol, Bristol, Avon, England. [Barducci, D.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Calligaris, L.; Cieri, D.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Williams, T.] Rutherford Appleton Lab, Didcot, Oxon, England. [Baber, M.; Bainbridge, R.; Buchmuller, O.; Bundock, A.; Burton, D.; Casasso, S.; Citron, M.; Colling, D.; Corpe, L.; Dauncey, P.; Davies, G.; De Wit, A.; Della Negra, M.; Di Maria, R.; Dunne, P.; Elwood, A.; Futyan, D.; Haddad, Y.; Hall, G.; Iles, G.; James, T.; Lane, R.; Laner, C.; Lucas, R.; Lyons, L.; Magnan, A. -M.; Malik, S.; Mastrolorenzo, L.; Nash, J.; Nikitenko, A.; Pela, J.; Penning, B.; Pesaresi, M.; Raymond, D. M.; Richards, A.; Rose, A.; Seez, C.; Summers, S.; Tapper, A.; Uchida, K.; Acosta, M. Vazquez; Virdee, T.; Wright, J.; Zenz, S. C.] Imperial Coll, London, England. [Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leslie, D.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.] Brunel Univ, Uxbridge, Middx, England. [Borzou, A.; Call, K.; Dittmann, J.; Hatakeyama, K.; Liu, H.; Pastika, N.] Baylor Univ, Waco, TX USA. [Buccilli, A.; Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.] Univ Alabama, Tuscaloosa, AL USA. [Arcaro, D.; Avetisyan, A.; Bose, T.; Gastler, D.; Rankin, D.; Richardson, C.; Rohlf, J.; Sulak, L.; Zou, D.] Boston Univ, Boston, MA USA. [Benelli, G.; Berry, E.; Cutts, D.; Garabedian, A.; Hakala, J.; Heintz, U.; Hogan, J. M.; Jesus, O.; Laird, E.; Landsberg, G.; Mao, Z.; Narain, M.; Piperov, S.; Sagir, S.; Spencer, E.; Syarif, R.; Apresyan, A.; Bornheim, A.] Brown Univ, Providence, RI USA. [Breedon, R.; Breto, G.; Burns, D.; Sanchez, M. Calderon De La Barca; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Flores, C.; Funk, G.; Gardner, M.; Ko, W.; Lander, R.; Mclean, C.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.] Univ Calif Davis, Davis, CA USA. [Cousins, R.; Everaerts, P.; Florent, A.; Hauser, J.; Ignatenko, M.; Saltzberg, D.; Takasugi, E.; Valuev, V.; Weber, M.] Univ Calif Los Angeles, Los Angeles, CA USA. [Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Jandir, P.; Kennedy, E.; Lacroix, F.; Paneva, M. I.; Shrinivas, A.; Wei, H.; Wimpenny, S.; Yates, B. R.] Univ Calif Riverside, Riverside, CA USA. [Long, O. R.; Negrete, M. Olmedo; Branson, J. G.; Cerati, G. B.; Cittolin, S.; Derdzinski, M.; Gerosa, R.; Holzner, A.; Klein, D.; Krutelyov, V.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Tadel, M.; Vartak, A.; Wasserbaech, S.; Welke, C.; Wood, J.; Wuerthwein, F.; Yagil, A.; Della Porta, G. Zevi] Univ Calif San Diego, La Jolla, CA USA. [Bhandari, R.; Bradmiller-Feld, J.; Campagnari, C.; Dishaw, A.; Dutta, V.; Flowers, K.; Sevilla, M. Franco; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Gran, J.; Heller, R.; Incandela, J.; Mccoll, N.; Mullin, S. D.; Ovcharova, A.; Richman, J.; Stuart, D.; Suarez, I.; West, C.; Yoo, J.] Univ Calif Santa Barbara, Santa Barbara, CA USA. [Anderson, D.; Apresyan, A.; Bendavid, J.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Lawhorn, J. M.; Mott, A.; Newman, H. B.; Pena, C.; Spiropulu, M.; Vlimant, J. R.; Xie, S.; Zhu, R. Y.] CALTECH, Pasadena, CA USA. [Andrews, M. B.; Azzolini, V.; Ferguson, T.; Paulini, M.; Russ, J.; Sun, M.; Vogel, H.; Vorobiev, I.] Carnegie Mellon Univ, Pittsburgh, PA USA. [Cumalat, J. P.; Ford, W. T.; Jensen, F.; Johnson, A.; Krohn, M.; Mulholland, T.; Stenson, K.; Wagner, S. R.] Univ Colorado Boulder, Boulder, CO USA. [Alexander, J.; Chaves, J.; Chu, J.; Dittmer, S.; Mcdermott, K.; Mirman, N.; Kaufman, G. Nicolas; Patterson, J. R.; Rinkevicius, A.; Ryd, A.; Skinnari, L.; Soffi, L.; Tan, S. M.; Tao, Z.; Thom, J.; Tucker, J.; Wittich, P.; Zientek, M.] Cornell Univ, Ithaca, NY USA. [Winn, D.] Fairfield Univ, Fairfield, CT USA. [Abdullin, S.; Albrow, M.; Apollinari, G.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Cremonesi, M.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gottschalk, E.; Gray, L.; Green, D.; Gruenendahl, S.; Gutsche, O.; Hare, D.; Harris, R. M.; Hasegawa, S.; Hirschauer, J.; Hu, Z.; Jayatilaka, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Klima, B.; Kreis, B.; Lammel, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lopes De Sa, R.; Lykken, J.; Maeshima, K.; Magini, N.; Marraffino, J. M.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mrenna, S.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Pedro, K.; Prokofyev, O.; Rakness, G.; Ristori, L.; Sexton-Kennedy, E.; Soha, A.; Spalding, W. J.; Spiegel, L.; Stoynev, S.; Strobbe, N.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vernieri, C.; Verzocchi, M.; Vidal, R.; Wang, M.; Weber, H. A.; Whitbeck, A.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Brinkerhoff, A.; Carnes, A.; Carver, M.; Curry, D.; Das, S.; Field, R. D.; Furic, I. K.; Konigsberg, J.; Korytov, A.; Ma, P.; Matchev, K.; Mei, H.; Milenovic, P.; Mitselmakher, G.; Rank, D.; Shchutska, L.; Sperka, D.; Thomas, L.; Wang, J.; Wang, S.; Yelton, J.] Univ Florida, Gainesville, FL USA. [Linn, S.; Markowitz, P.; Martinez, G.; Ackert, A.] Florida Int Univ, Miami, FL USA. [Adams, J. R.; Adams, T.; Askew, A.; Bein, S.; Diamond, B.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Khatiwada, A.; Prosper, H.; Santra, A.; Weinberg, M.] Florida State Univ, Tallahassee, FL USA. [Baarmand, M. M.; Bhopatkar, V.; Colafranceschi, S.; Hohlmann, M.; Noonan, D.; Roy, T.; Yumiceva, F.] Florida Inst Technol, Melbourne, FL USA. [Adams, M. R.; Apanasevich, L.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Kurt, P.; O'Brien, C.; Gonzalez, I. D. Sandoval; Turner, P.; Varelas, N.; Wang, H.; Wu, Z.; Zakaria, M.; Zhang, J.] UIC, Chicago, IL USA. [Bilki, B.; Clarida, W.; Dilsiz, K.; Durgut, S.; Gandrajula, R. P.; Haytmyradov, M.; Khristenko, V.; Merlo, J. -P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Snyder, C.; Tiras, E.; Wetzel, J.; Yi, K.] Univ Iowa, Iowa City, IA USA. [Anderson, I.; Blumenfeld, B.; Cocoros, A.; Eminizer, N.; Fehling, D.; Feng, L.; Gritsan, A. V.; Maksimovic, P.; Osherson, M.; Roskes, J.; Sarica, U.; Swartz, M.; Xiao, M.; Xin, Y.; You, C.] Johns Hopkins Univ, Baltimore, MD USA. [Al-bataineh, A.; Baringer, P.; Bean, A.; Boren, S.; Bowen, J.; Bruner, C.; Castle, J.; Forthomme, L.; Kenny, R. P., III; Kropivnitskaya, A.; Majumder, D.; Mcbrayer, W.; Murray, M.; Sanders, S.; Stringer, R.; Takaki, J. D. Tapia; Wang, Q.] Univ Kansas, Lawrence, KS USA. [Ivanov, A.; Kaadze, K.; Khalil, S.; Makouski, M.; Maravin, Y.; Mohammadi, A.; Saini, L. K.] Kansas State Univ, Manhattan, KS USA. [Skhirtladze, N.; Toda, S.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Rebassoo, F.; Wright, D.; Anelli, C.; Baden, A.; Baron, O.; Belloni, A.; Calvert, B.; Eno, S. C.; Ferraioli, C.; Gomez, J. A.; Hadley, N. J.; Jabeen, S.; Kellogg, R. G.; Kolberg, T.; Kunkle, J.; Lu, Y.; Mignerey, A. C.; Shin, Y. H.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.] Univ Maryland, College Pk, MD USA. [Abercrombie, D.; Allen, B.; Apyan, A.; Barbieri, R.; Baty, A.; Bi, R.; Bierwagen, K.; Brandt, S.; Busza, W.; Cali, I. A.; Demiragli, Z.; Di Matteo, L.; Ceballos, G. Gomez; Goncharov, M.; Hsu, D.; Iiyama, Y.; Innocenti, G. M.; Klute, M.; Kovalskyi, D.; Krajczar, K.; Lai, Y. S.; Lee, Y. -J.; Levin, A.; Luckey, P. D.; Marini, A. C.; Mcginn, C.; Mironov, C.; Narayanan, S.; Niu, X.; Paus, C.; Roland, C.; Roland, G.; Salfeld-Nebgen, J.; Stephans, G. S. F.; Sumorok, K.; Tatar, K.; Varma, M.; Velicanu, D.; Veverka, J.; Wang, J.; Wang, T. W.; Wyslouch, B.; Yang, M.; Zhukova, V.] MIT, Cambridge, MA USA. [Benvenuti, A. C.; Chatterjee, R. M.; Evans, A.; Finkel, A.; Gude, A.; Hansen, P.; Kalafut, S.; Kao, S. C.; Kubota, Y.; Lesko, Z.; Mans, J.; Nourbakhsh, S.; Ruckstuhl, N.; Rusack, R.; Tambe, N.; Turkewitz, J.] Univ Minnesota, Minneapolis, MN USA. [Acosta, J. G.; Oliveros, S.] Univ Mississippi, Oxford, MS USA. [Avdeeva, E.; Bartek, R.; Bloom, K.; Claes, D. R.; Dominguez, A.; Fangmeier, C.; Suarez, R. Gonzalez; Kamalieddin, R.; Kravchenko, I.; Rodrigues, A. Malta; Meier, F.; Monroy, J.; Siado, J. E.; Snow, G. R.; Stieger, B.] Univ Nebraska Lincoln, Lincoln, NE USA. [Alyari, M.; Dolen, J.; George, J.; Godshalk, A.; Harrington, C.; Iashvili, I.; Kaisen, J.; Kharchilava, A.; Kumar, A.; Parker, A.; Rappoccio, S.; Roozbahani, B.] SUNY Buffalo, Buffalo, NY USA. [Alverson, G.; Barberis, E.; Baumgartel, D.; Hortiangtham, A.; Knapp, B.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; De Lima, R. Teixeira; Trocino, D.; Wang, R. -J.; Wood, D.] Northeastern Univ, Boston, MA USA. [Bhattacharya, S.; Hahn, K. A.; Kubik, A.; Kumar, A.; Low, J. F.; Mucia, N.; Odell, N.; Pollack, B.; Schmitt, M. H.; Sung, K.; Trovato, M.; Velasco, M.] Northwestern Univ, Evanston, IL USA. [Dev, N.; Hildreth, M.; Anampa, K. Hurtado; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Marinelli, N.; Meng, F.; Mueller, C.; Musienko, Y.; Planer, M.; Reinsvold, A.; Ruchti, R.; Smith, G.; Taroni, S.; Wayne, M.; Wolf, M.; Woodard, A.] Univ Notre Dame, Notre Dame, IN USA. [Alimena, J.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Francis, B.; Hart, A.; Hill, C.; Hughes, R.; Ji, W.; Liu, B.; Luo, W.; Puigh, D.; Winer, B. L.; Wulsin, H. W.] Ohio State Univ, Columbus, OH USA. [Cooperstein, S.; Driga, O.; Elmer, P.; Hardenbrook, J.; Hebda, P.; Lange, D.; Luo, J.; Marlow, D.; Medvedeva, T.; Mei, K.; Mooney, M.; Olsen, J.; Palmer, C.; Piroue, P.; Stickland, D.; Tully, C.; Zuranski, A.] Princeton Univ, Princeton, NJ USA. [Malik, S.] Univ Puerto Rico, Mayaguez, PR USA. [Barker, A.; Barnes, V. E.; Folgueras, S.; Gutay, L.; Jha, M. K.; Jones, M.; Jung, A. W.; Jung, K.; Miller, D. H.; Neumeister, N.; Shi, X.; Sun, J.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.] Purdue Univ, W Lafayette, IN USA. [Parashar, N.; Stupak, J.] Purdue Univ Calumet, Hammond, IN USA. [Adair, A.; Akgun, B.; Chen, Z.; Ecklund, K. M.; Geurts, F. J. M.; Guilbaud, M.; Li, W.; Michlin, B.; Northup, M.; Padley, B. P.; Redjimi, R.; Roberts, J.; Rorie, J.; Tu, Z.; Zabel, J.] Rice Univ, Houston, TX USA. [Betchart, B.; Bodek, A.; de Barbaro, P.; Demina, R.; Duh, Y. t.; Ferbel, T.; Galanti, M.; Garcia-Bellido, A.; Han, J.; Hindrichs, O.; Khukhunaishvili, A.; Lo, K. H.; Tan, P.; Verzetti, M.] Univ Rochester, Rochester, NY USA. [Chou, J. P.; Contreras-Campana, E.; Gershtein, Y.; Gomez Espinosa, T. A.; Halkiadakis, E.; Heindl, M.; Hidas, D.; Hughes, E.; Kaplan, S.; Elayavalli, R. Kunnawalkam; Kyriacou, S.; Lath, A.; Nash, K.; Saka, H.; Salur, S.; Schnetzer, S.; Sheffield, D.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.] Rutgers State Univ, Piscataway, NJ USA. [Foerster, M.; Heideman, J.; Riley, G.; Rose, K.; Spanier, S.; Thapa, K.] Univ Tennessee, Knoxville, TN USA. [Bouhali, O.; Celik, A.; Dalchenko, M.; De Mattia, M.; Delgado, A.; Dildick, S.; Eusebi, R.; Gilmore, J.; Huang, T.; Juska, E.; Kamon, T.; Mueller, R.; Pakhotin, Y.; Patel, R.; Perloff, A.; Pernie, L.; Rathjens, D.; Rose, A.; Safonov, A.; Tatarinov, A.; Ulmer, K. A.] Texas A&M Univ, College Stn, TX USA. [Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kunori, S.; Lamichhane, K.; Lee, S. W.; Libeiro, T.; Undleeb, S.; Volobouev, I.; Wang, Z.] Texas Tech Univ, Lubbock, TX 79409 USA. [Delannoy, A. G.; Greene, S.; Gurrola, A.; Janjam, R.; Johns, W.; Maguire, C.; Melo, A.; Ni, H.; Sheldon, P.; Tuo, S.; Velkovska, J.; Xu, Q.] Vanderbilt Univ, Nashville, TN 37235 USA. [Arenton, M. W.; Barria, P.; Cox, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Neu, C.; Sinthuprasith, T.; Wang, Y.; Wolfe, E.; Xia, F.] Univ Virginia, Charlottesville, VA USA. [Clarke, C.; Harr, R.; Karchin, P. E.; Lamichhane, P.; Sturdy, J.] Wayne State Univ, Detroit, MI USA. [Belknap, D. A.; Dasu, S.; Dodd, L.; Duric, S.; Gomber, B.; Grothe, M.; Herndon, M.; Herve, A.; Klabbers, P.; Lanaro, A.; Levine, A.; Long, K.; Loveless, R.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ruggles, T.; Savin, A.; Sharma, A.; Smith, N.; Smith, W. H.; Taylor, D.; Woods, N.] Univ Wisconsin, Madison, WI USA. [Fruehwirth, R.; Jeitler, M.; Schieck, J.; Wulz, C. -E.; Krammer, M.] Vienna Univ Technol, Vienna, Austria. [Zhang, F.] Peking Univ, State Key Lab Nucl Phys & Technol, Beijing, Peoples R China. [Beluffi, C.] Univ Strasbourg, Univ Haute Alsace Mulhouse, CNRS IN2P3, Inst Pluridisciplinaire Hubert Curien, Strasbourg, France. [Tonelli Manganote, E. J.] Univ Estadual Campinas, Campinas, SP, Brazil. [Da Silveira, G. G.] Univ Fed Pelotas, Pelotas, Brazil. [Fang, W.] Univ Libre Bruxelles, Brussels, Belgium. [Chen, Y.] DESY, Hamburg, Germany. [Finger, M.; Finger, M., Jr.; Tsamalaidze, Z.] Joint Inst Nucl Res, Dubna, Russia. [Assran, Y.] Suez Univ, Suez, Egypt. [Assran, Y.] British Univ Egypt, Cairo, Egypt. [Elkafrawy, T.] Ain Shams Univ, Cairo, Egypt. [Mahrous, A.] Helwan Univ, Cairo, Egypt. [Agram, J. -L.; Conte, E.; Fontaine, J. -C.] Univ Haute Alsace, Mulhouse, France. [Merlin, J. A.; Stahl, A.; Pantaleo, F.; Hartmann, F.; Silvestris, L.; Tosi, N.; Viliani, L.; Primavera, F.; Brianza, L.; Manzoni, R. A.; Di Guida, S.; Meola, S.; Paolucci, P.; Azzi, P.; Pazzini, J.; Azzurri, P.; D'imperio, G.; Del Re, D.; Arcidiacono, R.; Kornmayer, A.; Virdee, T.] CERN, European Org Nucl Res, Geneva, Switzerland. [Hempel, M.; Karacheban, O.; Lohmann, W.] Brandenburg Tech Univ Cottbus, Cottbus, Germany. [Horvath, D.] Inst Nucl Res ATOMKI, Debrecen, Hungary. [Karancsi, J.] Indian Inst Sci Educ & Res, Bhopal, India. [Choudhury, S.] Inst Phys, Bhubaneswar, Orissa, India. [Nayak, A.] Visva Bharati Univ, Santini Ketan, W Bengal, India. [Bhowmik, S.; Maity, M.; Sarkar, T.] Univ Ruhuna, Matara, Sri Lanka. [Wickramage, N.; Onengut, G.] Isfahan Univ Technol, Esfahan, Iran. [Chenarani, S.; Etesami, S. M.; Ozdemir, K.] Univ Tehran, Dept Engn Sci, Tehran, Iran. [Fahim, A.; Isildak, B.] Islamic Azad Univ, Plasma Phys Res Ctr, Sci & Res Branch, Tehran, Iran. [Safarzadeh, B.; Karapinar, G.] Univ Siena, Siena, Italy. [Savoy-Navarro, A.; Kaya, O.] Purdue Univ, W Lafayette, IN USA. [Idris, F. Mohamad; Yetkin, T.] MOSTI, Malaysian Nucl Agcy, Kajang, Malaysia. [La Cruz, I. Heredia-De; Sen, S.] Consejo Nacl Ciencia & Technol, Mexico City, DF, Mexico. [Byszuk, A.; Zagozdzinska, A.; Newbold, D. M.; Lucas, R.] Warsaw Univ Technol, Inst Elect Syst, Warsaw, Poland. [Matveev, V.; Belyaev, A.; Musienko, Y.] Inst Nucl Res, Moscow, Russia. [Kim, V.; Wasserbaech, S.] St Petersburg State Polytech Univ, St Petersburg, Russia. [Kuznetsova, E.; Milenovic, P.] Univ Florida, Gainesville, FL USA. [Blinov, V.; Skovpen, Y.; Mermerkaya, H.] Budker Inst Nucl Phys, Novosibirsk, Russia. [Veckalns, V.] Riga Tech Univ, Riga, Latvia. [Starodumov, A.] Inst Theoret & Expt Phys, Moscow, Russia. [Amsler, C.] Albert Einstein Ctr Fundamental Phys, Bern, Switzerland. [Cerci, S.; Cerci, D. Sunar; Tali, B.] Adiyaman Univ, Adiyaman, Turkey. [Kangal, E. E.] Mersin Univ, Mersin, Turkey. [Onengut, G.] Cag Univ, Mersin, Turkey. [Ozdemir, K.] Piri Reis Univ, Istanbul, Turkey. [Isildak, B.] Ozyegin Univ, Istanbul, Turkey. [Karapinar, G.] Izmir Inst Technol, Izmir, Turkey. [Kaya, M.] Marmara Univ, Istanbul, Turkey. [Kaya, O.] Kafkas Univ, Kars, Turkey. [Yetkin, E. A.] Istanbul Bilgi Univ, Istanbul, Turkey. [Yetkin, T.] Yildiz Tech Univ, Istanbul, Turkey. [Sen, S.] Hacettepe Univ, Ankara, Turkey. [Newbold, D. M.; Lucas, R.] Univ Southampton, Sch Phys & Astron, Southampton, Hants, England. [Belyaev, A.] Inst Astrofis Canarias, San Cristobal la Laguna, Spain. [Wasserbaech, S.] Utah Valley Univ, Orem, UT USA. [Colafranceschi, S.] Univ Roma, Fac Ingn, Rome, Italy. [Mermerkaya, H.] Erzincan Univ, Erzincan, Turkey. Mimar Sinan Univ, Istanbul, Turkey. [Bouhali, O.] Texas A&M Univ Qatar, Doha, Qatar. RP Khachatryan, V (reprint author), Yerevan Phys Inst, Yerevan, Armenia. RI Moraes, Arthur/F-6478-2010; Da Silveira, Gustavo Gil/N-7279-2014; Konecki, Marcin/G-4164-2015; Flix, Josep/G-5414-2012; Leonidov, Andrey/M-4440-2013; Paulini, Manfred/N-7794-2014; TUVE', Cristina/P-3933-2015; Andreev, Vladimir/M-8665-2015; Dremin, Igor/K-8053-2015; Ruiz, Alberto/E-4473-2011; Della Ricca, Giuseppe/B-6826-2013; Puljak, Ivica/D-8917-2017; Terkulov, Adel/M-8581-2015; Manganote, Edmilson/K-8251-2013; Chistov, Ruslan/B-4893-2014; Chadeeva, Marina/C-8789-2016; Petrushanko, Sergey/D-6880-2012; Lokhtin, Igor/D-7004-2012; Danilov, Mikhail/C-5380-2014; Yazgan, Efe/C-4521-2014; Goh, Junghwan/Q-3720-2016; Xie, Si/O-6830-2016; Dudko, Lev/D-7127-2012; Calderon, Alicia/K-3658-2014; Azarkin, Maxim/N-2578-2015; Kirakosyan, Martin/N-2701-2015; Govoni, Pietro/K-9619-2016; Leonardo, Nuno/M-6940-2016 OI Moraes, Arthur/0000-0002-5157-5686; Da Silveira, Gustavo Gil/0000-0003-3514-7056; Konecki, Marcin/0000-0001-9482-4841; ROMERO ABAD, DAVID/0000-0001-5088-9301; Viliani, Lorenzo/0000-0002-1909-6343; Hurtado Anampa, Kenyi/0000-0002-9779-3566; Flix, Josep/0000-0003-2688-8047; Paulini, Manfred/0000-0002-6714-5787; TUVE', Cristina/0000-0003-0739-3153; Ruiz, Alberto/0000-0002-3639-0368; Della Ricca, Giuseppe/0000-0003-2831-6982; Chistov, Ruslan/0000-0003-1439-8390; Chadeeva, Marina/0000-0003-1814-1218; Danilov, Mikhail/0000-0001-9227-5164; Yazgan, Efe/0000-0001-5732-7950; Goh, Junghwan/0000-0002-1129-2083; Xie, Si/0000-0003-2509-5731; Dudko, Lev/0000-0002-4462-3192; Govoni, Pietro/0000-0002-0227-1301; Leonardo, Nuno/0000-0002-9746-4594 FU BMWFW (Austria); FWF (Austria); FNRS (Belgium); FWO (Belgium); CNPq (Brazil); CAPES (Brazil); FAPERJ (Brazil); FAPESP (Brazil); MES (Bulgaria); CERN; CAS (China); MoST (China); NSFC (China); COLCIENCIAS (Colombia); MSES (Croatia); CSF (Croatia); RPF (Cyprus); SENESCYT (Ecuador); MoER (Estonia); ERC IUT (Estonia); ERDF (Estonia); Academy of Finland (Finland); MEC (Finland); HIP (Finland); CEA (France); CNRS/IN2P3 (France); BMBF (Germany); DFG (Germany); HGF (Germany); GSRT (Greece); OTKA (Hungary); NIH (Hungary); DAE (India); DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); MSIP (Republic of Korea); NRF (Republic of Korea); LAS (Lithuania); MOE (Malaysia); UM (Malaysia); BUAP (Mexico); CINVESTAV (Mexico); CONACYT (Mexico); LNS (Mexico); SEP (Mexico); UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); NSC (Poland); MSHE (Poland); FCT (Portugal); JINR (Dubna); MON (Russia); RosAtom (Russia); RAS (Russia); RFBR (Russia); MESTD (Serbia); SEIDI (Spain); CPAN (Spain); Swiss Funding Agencies (Switzerland); MST (Taipei); ThEPCenter (Thailand); IPST (Thailand); STAR (Thailand); NSTDA (Thailand); TUBITAK (Turkey); TAEK (Turkey); NASU (Ukraine); SFFR (Ukraine); STFC (United Kingdom); DOE (USA); NSF (USA) FX We congratulate our colleagues in the CERN accelerator departments for the excellent performance of the LHC and thank the technical and administrative staffs at CERN and at other CMS institutes for their contributions to the success of the CMS effort. In addition, we gratefully acknowledge the computing centers and personnel of the Worldwide LHC Computing Grid for delivering so effectively the computing infrastructure essential to our analyses. Finally, we acknowledge the enduring support for the construction and operation of the LHC and the CMS detector provided by the following funding agencies: BMWFW and FWF (Austria); FNRS and FWO (Belgium); CNPq, CAPES, FAPERJ, and FAPESP (Brazil); MES (Bulgaria); CERN; CAS, MoST, and NSFC (China); COLCIENCIAS (Colombia); MSES and CSF (Croatia); RPF (Cyprus); SENESCYT (Ecuador); MoER, ERC IUT and ERDF (Estonia); Academy of Finland, MEC, and HIP (Finland); CEA and CNRS/IN2P3 (France); BMBF, DFG, and HGF (Germany); GSRT (Greece); OTKA and NIH (Hungary); DAE and DST (India); IPM (Iran); SFI (Ireland); INFN (Italy); MSIP and NRF (Republic of Korea); LAS (Lithuania); MOE and UM (Malaysia); BUAP, CINVESTAV, CONACYT, LNS, SEP, and UASLP-FAI (Mexico); MBIE (New Zealand); PAEC (Pakistan); MSHE and NSC (Poland); FCT (Portugal); JINR (Dubna); MON, RosAtom, RAS and RFBR (Russia); MESTD (Serbia); SEIDI and CPAN (Spain); Swiss Funding Agencies (Switzerland); MST (Taipei); ThEPCenter, IPST, STAR and NSTDA (Thailand); TUBITAK and TAEK (Turkey); NASU and SFFR (Ukraine); STFC (United Kingdom); DOE and NSF (USA). NR 43 TC 14 Z9 14 U1 8 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 28 PY 2016 VL 117 IS 5 AR 051802 DI 10.1103/PhysRevLett.117.051802 PG 19 WC Physics, Multidisciplinary SC Physics GA DT4SH UT WOS:000381470600002 ER PT J AU Yu, J Li, LY Cao, JB Reeves, GD Baker, DN Spence, H AF Yu, J. Li, L. Y. Cao, J. B. Reeves, G. D. Baker, D. N. Spence, H. TI The influences of solar wind pressure and interplanetary magnetic field on global magnetic field and outer radiation belt electrons SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE solar wind dynamic pressure; southward interplanetary magnetic field; day-night asymmetrical variations of magnetic field; day-night asymmetrical variations of relativistic electron pitch angle distributions; pancake distributions; butterfly distributions ID PITCH-ANGLE DISTRIBUTIONS; DYNAMIC PRESSURE; ENERGETIC ELECTRONS; INNER MAGNETOSPHERE; MAGNETOSONIC WAVES; GEOMAGNETIC STORMS; MODEL; PARTICLES; SUBSTORMS; RESPONSES AB Using the Van Allen Probe in situ measured magnetic field and electron data, we examine the solar wind dynamic pressure and interplanetary magnetic field (IMF) effects on global magnetic field and outer radiation belt relativistic electrons (1.8MeV). The dynamic pressure enhancements (>2nPa) cause the dayside magnetic field increase and the nightside magnetic field reduction, whereas the large southward IMFs (Bz-IMF<-2nT) mainly lead to the decrease of the nightside magnetic field. In the dayside increased magnetic field region (magnetic local time (MLT)similar to 06:00-18:00, and L>4), the pitch angles of relativistic electrons are mainly pancake distributions with a flux peak around 90 degrees (corresponding anisotropic index A>0.1), and the higher-energy electrons have stronger pancake distributions (the larger A), suggesting that the compression-induced betatron accelerations enhance the dayside pancake distributions. However, in the nighttime decreased magnetic field region (MLT similar to 18:00-06:00, and L5), the pitch angles of relativistic electrons become butterfly distributions with two flux peaks around 45 degrees and 135 degrees (A<0). The spatial range of the nighttime butterfly distributions is almost independent of the relativistic electron energy, but it depends on the magnetic field day-night asymmetry and the interplanetary conditions. The dynamic pressure enhancements can make the nighttime butterfly distribution extend inward. The large southward IMFs can also lead to the azimuthal expansion of the nighttime butterfly distributions. These variations are consistent with the drift shell splitting and/or magnetopause shadowing effect. C1 [Yu, J.; Li, L. Y.; Cao, J. B.] Beihang Univ, Sch Space & Environm, Beijing, Peoples R China. [Reeves, G. D.] Los Alamos Natl Lab, Space Sci & Applicat Grp, Los Alamos, NM USA. [Baker, D. N.] Univ Colorado Boulder, Lab Atmospher & Space Phys, Boulder, CO USA. [Spence, H.] Univ New Hampshire, Inst Study Earth Oceans & Space, Durham, NH 03824 USA. RP Li, LY (reprint author), Beihang Univ, Sch Space & Environm, Beijing, Peoples R China. EM lyli_ssri@buaa.edu.cn OI Reeves, Geoffrey/0000-0002-7985-8098 FU NSFC [41374165, 41431071, 41074119]; JHU/APL under NASA [967399, NAS5-01072] FX This work is supported by NSFC (41374165, 41431071, 41074119). Work by the RBSP-ECT team was supported by the JHU/APL contract 967399 under NASA's Prime contract NAS5-01072. The Van Allen Probe data are available at the Web http://www.rbsp-ect.lanl.gov/data_pub/ and https://emfisis.physics.uiowa.edu/. Solar wind dynamic pressure and interplanetary magnetic field are available at the Web http://cdaweb.gsfc.nasa.gov/sp_phys. We are grateful to all staffs responsible for science data. NR 33 TC 2 Z9 2 U1 6 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD JUL 28 PY 2016 VL 43 IS 14 BP 7319 EP 7327 DI 10.1002/2016GL069029 PG 9 WC Geosciences, Multidisciplinary SC Geology GA DV9VL UT WOS:000383290200006 ER PT J AU Jaynes, AN Turner, DL Wilder, FD Osmane, A Baker, DN Blake, JB Fennell, JF Cohen, IJ Mauk, BH Reeves, GD Ergun, RE Giles, BL Gershman, DJ Torbert, RB Burch, JL AF Jaynes, A. N. Turner, D. L. Wilder, F. D. Osmane, A. Baker, D. N. Blake, J. B. Fennell, J. F. Cohen, I. J. Mauk, B. H. Reeves, G. D. Ergun, R. E. Giles, B. L. Gershman, D. J. Torbert, R. B. Burch, J. L. TI Energetic electron acceleration observed by MMS in the vicinity of an X-line crossing SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE electron acceleration; wave-particle interactions; VLF waves; magnetopause; dayside reconnection; MMS ID MAGNETIC RECONNECTION; LATITUDE MAGNETOPAUSE; WAVES; LAYER AB During the first months of observations, the Magnetospheric Multiscale Fly's Eye Energetic Particle Spectrometer instrument has observed several instances of electron acceleration up to >100keV while in the vicinity of the dayside reconnection region. While particle acceleration associated with magnetic reconnection has been seen to occur up to these energies in the tail region, it had not yet been reported at the magnetopause. This study reports on observations of electron acceleration up to hundreds of keV that were recorded on 19 September 2015 around 1000 UT, in the midst of an X-line crossing. In the region surrounding the X-line, whistler-mode and broadband electrostatic waves were observed simultaneously with the appearance of highly energetic electrons which exhibited significant energization in the perpendicular direction. The mechanisms by which particles may be accelerated via reconnection-related processes are intrinsic to understanding particle dynamics among a wide range of spatial scales and plasma environments. C1 [Jaynes, A. N.; Wilder, F. D.; Baker, D. N.; Ergun, R. E.] Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80309 USA. [Turner, D. L.; Blake, J. B.; Fennell, J. F.] Aerosp Corp, Dept Space Sci, El Segundo, CA 90245 USA. [Osmane, A.] Aalto Univ, Dept Radio Sci & Engn, Helsinki, Finland. [Cohen, I. J.; Mauk, B. H.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. [Reeves, G. D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Giles, B. L.; Gershman, D. J.] NASA, Goddard Space Flight Ctr, Greenbelt, MD USA. [Torbert, R. B.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. [Burch, J. L.] Southwest Res Inst, San Antonio, TX USA. RP Jaynes, AN (reprint author), Univ Colorado, Lab Atmospher & Space Phys, Boulder, CO 80309 USA. EM allison.jaynes@lasp.colorado.edu RI NASA MMS, Science Team/J-5393-2013; Cohen, Ian/K-3038-2015; Mauk, Barry/E-8420-2017; OI NASA MMS, Science Team/0000-0002-9504-5214; Cohen, Ian/0000-0002-9163-6009; Mauk, Barry/0000-0001-9789-3797; Reeves, Geoffrey/0000-0002-7985-8098 FU MMS mission, under NASA [NNG04EB99C] FX This work was supported by funding from the MMS mission, under NASA contract NNG04EB99C. The data presented here are publicly available on the MMS Science Data Center website: https://lasp.colorado.edu/mms/sdc/ or by request for dates earlier than 1 September 2015. Solar wind OMNI data from ACE and Wind are available via the Space Physics Data Facility at http://cdaweb.gsfc.nasa.gov/istp_public/. NR 32 TC 2 Z9 2 U1 4 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD JUL 28 PY 2016 VL 43 IS 14 BP 7356 EP 7363 DI 10.1002/2016GL069206 PG 8 WC Geosciences, Multidisciplinary SC Geology GA DV9VL UT WOS:000383290200010 ER PT J AU Lanza, NL Wiens, RC Arvidson, RE Clark, BC Fischer, WW Gellert, R Grotzinger, JP Hurowitz, JA McLennan, SM Morris, RV Rice, MS Bell, JF Berger, JA Blaney, DL Bridges, NT Calef, F Campbell, JL Clegg, SM Cousin, A Edgett, KS Fabre, C Fisk, MR Forni, O Frydenvang, J Hardy, KR Hardgrove, C Johnson, JR Lasue, J Le Mouelic, S Malin, MC Mangold, N Martin-Torres, J Maurice, S McBride, MJ Ming, DW Newsom, HE Ollila, AM Sautter, V Schroder, S Thompson, LM Treiman, AH VanBommel, S Vaniman, DT Zorzano, MP AF Lanza, Nina L. Wiens, Roger C. Arvidson, Raymond E. Clark, Benton C. Fischer, Woodward W. Gellert, Ralf Grotzinger, John P. Hurowitz, Joel A. McLennan, Scott M. Morris, Richard V. Rice, Melissa S. Bell, James F., III Berger, Jeffrey A. Blaney, Diana L. Bridges, Nathan T. Calef, Fred, III Campbell, John L. Clegg, Samuel M. Cousin, Agnes Edgett, Kenneth S. Fabre, Cecile Fisk, Martin R. Forni, Olivier Frydenvang, Jens Hardy, Keian R. Hardgrove, Craig Johnson, Jeffrey R. Lasue, Jeremie Le Mouelic, Stephane Malin, Michael C. Mangold, Nicolas Martin-Torres, Javier Maurice, Sylvestre McBride, Marie J. Ming, Douglas W. Newsom, Horton E. Ollila, Ann M. Sautter, Violaine Schroder, Susanne Thompson, Lucy M. Treiman, Allan H. VanBommel, Scott Vaniman, David T. Zorzano, Maria-Paz TI Oxidation of manganese in an ancient aquifer, Kimberley formation, Gale crater, Mars SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE Mars; manganese; oxidation; MSL; ChemCam ID ATMOSPHERE; MINERALOGY; CHEMISTRY; EVOLUTION; ORIGIN; DIFFRACTION; DIAGENESIS; ROCKNEST; COATINGS; SULFUR AB The Curiosity rover observed high Mn abundances (>25wt % MnO) in fracture-filling materials that crosscut sandstones in the Kimberley region of Gale crater, Mars. The correlation between Mn and trace metal abundances plus the lack of correlation between Mn and elements such as S, Cl, and C, reveals that these deposits are Mn oxides rather than evaporites or other salts. On Earth, environments that concentrate Mn and deposit Mn minerals require water and highly oxidizing conditions; hence, these findings suggest that similar processes occurred on Mars. Based on the strong association between Mn-oxide deposition and evolving atmospheric dioxygen levels on Earth, the presence of these Mn phases on Mars suggests that there was more abundant molecular oxygen within the atmosphere and some groundwaters of ancient Mars than in the present day. C1 [Lanza, Nina L.; Wiens, Roger C.; Clegg, Samuel M.; Ollila, Ann M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Arvidson, Raymond E.] Washington Univ, Dept Earth & Planetary Sci, St Louis, MO 63130 USA. [Clark, Benton C.] Space Sci Inst, Boulder, CO USA. [Fischer, Woodward W.; Grotzinger, John P.] CALTECH, Pasadena, CA 91125 USA. [Gellert, Ralf; Campbell, John L.; VanBommel, Scott] Univ Guelph, Guelph, ON, Canada. [Hurowitz, Joel A.; McLennan, Scott M.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Morris, Richard V.; Ming, Douglas W.] NASA, Johnson Space Ctr, Houston, TX USA. [Rice, Melissa S.] Western Washington Univ, Dept Geol, Bellingham, WA 98225 USA. [Bell, James F., III; Hardgrove, Craig] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ USA. [Berger, Jeffrey A.] Univ Western Ontario, Dept Earth Sci, London, ON, Canada. [Blaney, Diana L.; Calef, Fred, III] Jet Prop Lab, Pasadena, CA USA. [Bridges, Nathan T.; Johnson, Jeffrey R.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD USA. [Cousin, Agnes; Forni, Olivier; Lasue, Jeremie; Maurice, Sylvestre; Schroder, Susanne] Inst Rech Astrophys & Planetol, Toulouse, France. [Edgett, Kenneth S.; Malin, Michael C.] Malin Space Sci Syst, San Diego, CA USA. [Fabre, Cecile] Univ Lorraine, GeoRessources Lab, Nancy, France. [Fisk, Martin R.] Oregon State Univ, Coll Earth Ocean & Atmospher Sci, Corvallis, OR 97331 USA. [Frydenvang, Jens] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. [Hardy, Keian R.] US Naval Acad, Aerosp Engn, Annapolis, MD 21402 USA. [Le Mouelic, Stephane; Mangold, Nicolas] Univ Nantes, CNRS, LPGNantes, UMR 6112, Nantes, France. [Martin-Torres, Javier; Zorzano, Maria-Paz] Lulea Univ Technol, Dept Comp Sci Elect & Space Engn, Kiruna, Sweden. [Martin-Torres, Javier] Inst Andaluz Ciencias Tierra CSIC UGR, Granada, Spain. [McBride, Marie J.] Purdue Univ, Earth Atmospher & Planetary Sci, W Lafayette, IN 47907 USA. [Newsom, Horton E.] Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. [Sautter, Violaine] Museum Hist Nat, IMPMC, Paris, France. [Thompson, Lucy M.] Univ New Brunswick, Planetary & Space Sci Ctr, Fredericton, NB, Canada. [Treiman, Allan H.] Lunar & Planetary Inst, 3303 NASA Rd 1, Houston, TX 77058 USA. [Vaniman, David T.] Planetary Sci Inst, Tucson, AZ USA. [Zorzano, Maria-Paz] Ctr Astrobiol INTA CSIC, Madrid, Spain. RP Lanza, NL (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM nlanza@lanl.gov RI Frydenvang, Jens/D-4781-2013; Zorzano, Maria-Paz/F-2184-2015; OI Frydenvang, Jens/0000-0001-9294-1227; Zorzano, Maria-Paz/0000-0002-4492-9650; Clegg, Sam/0000-0002-0338-0948 FU NASA's Mars Program Office; Centre National d'Etude Spatiale; Canadian Space Agency FX We gratefully acknowledge the very helpful comments of M. Osterloo and N. Tosca. This research was carried out in the U.S. under contract from NASA's Mars Program Office. Work in France was carried out with funding from the Centre National d'Etude Spatiale and in Canada by the Canadian Space Agency. This team acknowledges the Jet Propulsion Laboratory for developing and leading the Mars Science Laboratory (MSL) Curiosity rover mission. The data reported in this paper are archived at the Planetary Data System, accessible at http://pds-geosciences.wustl.edu/missions/msl/index.htm. Additional data are available as supporting information. NR 50 TC 3 Z9 3 U1 18 U2 18 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD JUL 28 PY 2016 VL 43 IS 14 BP 7398 EP 7407 DI 10.1002/2016GL069109 PG 10 WC Geosciences, Multidisciplinary SC Geology GA DV9VL UT WOS:000383290200015 ER PT J AU Rice, MC Norton, JM Valois, F Bollmann, A Bottomley, PJ Klotz, MG Laanbroek, HJ Suwa, Y Stein, LY Sayavedra-Soto, L Woyke, T Shapiro, N Goodwin, LA Huntemann, M Clum, A Pillay, M Kyrpides, N Varghese, N Mikhailova, N Markowitz, V Palaniappan, K Ivanova, N Stamatis, D Reddy, TBK Ngan, CY Daum, C AF Rice, Marlen C. Norton, Jeanette M. Valois, Frederica Bollmann, Annette Bottomley, Peter J. Klotz, Martin G. Laanbroek, Hendrikus J. Suwa, Yuichi Stein, Lisa Y. Sayavedra-Soto, Luis Woyke, Tanja Shapiro, Nicole Goodwin, Lynne A. Huntemann, Marcel Clum, Alicia Pillay, Manoj Kyrpides, Nikos Varghese, Neha Mikhailova, Natalia Markowitz, Victor Palaniappan, Krishna Ivanova, Natalia Stamatis, Dimitrios Reddy, T. B. K. Ngan, Chew Yee Daum, Chris TI Complete genome of Nitrosospira briensis C-128, an ammonia-oxidizing bacterium from agricultural soil SO STANDARDS IN GENOMIC SCIENCES LA English DT Article DE Nitrosospira; Ammonia-oxidizing bacteria; Nitrification; Agricultural soil; Ammonia monooxygenase; Nitrous oxide; Chemolithotroph ID N2O-PRODUCING PATHWAYS; NITROSOMONAS-EUROPAEA; SEQUENCE; SYSTEM; CLASSIFICATION; MULTIFORMIS; PHYLOGENY; DIVERSITY; EVOLUTION; DATABASE AB Nitrosospira briensis C-128 is an ammonia-oxidizing bacterium isolated from an acid agricultural soil. N. briensis C-128 was sequenced with PacBio RS technologies at the DOE-Joint Genome Institute through their Community Science Program (2010). The high-quality finished genome contains one chromosome of 3.21 Mb and no plasmids. We identified 3073 gene models, 3018 of which are protein coding. The two-way average nucleotide identity between the chromosomes of Nitrosospira multiformis ATCC 25196 and Nitrosospira briensis C-128 was found to be 77.2 %. Multiple copies of modules encoding chemolithotrophic metabolism were identified in their genomic context. The gene inventory supports chemolithotrophic metabolism with implications for function in soil environments. C1 [Rice, Marlen C.; Norton, Jeanette M.] Utah State Univ, Logan, UT 84322 USA. [Valois, Frederica] Woods Hole Oceanog Inst, Woods Hole, MA 02543 USA. [Bollmann, Annette] Miami Univ, Oxford, OH 45056 USA. [Bottomley, Peter J.] Oregon State Univ, Corvallis, OR 97331 USA. [Klotz, Martin G.] CUNY, Queens Coll, Flushing, NY USA. [Klotz, Martin G.] Xiamen Univ, Inst Marine Microbes & Ecospheres, Xiamen, Peoples R China. [Laanbroek, Hendrikus J.] Netherlands Inst Ecol, Wageningen, Netherlands. [Laanbroek, Hendrikus J.] Univ Utrecht, Utrecht, Netherlands. [Suwa, Yuichi] Chuo Univ, Tokyo, Japan. [Stein, Lisa Y.] Univ Alberta, Edmonton, AB, Canada. [Woyke, Tanja; Shapiro, Nicole; Huntemann, Marcel; Clum, Alicia; Pillay, Manoj; Kyrpides, Nikos; Varghese, Neha; Mikhailova, Natalia; Markowitz, Victor; Palaniappan, Krishna; Ivanova, Natalia; Stamatis, Dimitrios; Reddy, T. B. K.; Ngan, Chew Yee; Daum, Chris] DOE Joint Genome Inst, Walnut Creek, CA USA. [Goodwin, Lynne A.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. RP Norton, JM (reprint author), Utah State Univ, Logan, UT 84322 USA. EM jeanette.norton@usu.edu RI Laanbroek, Hendrikus J./C-3830-2008; Kyrpides, Nikos/A-6305-2014; OI Laanbroek, Hendrikus J./0000-0003-2400-3399; Kyrpides, Nikos/0000-0002-6131-0462; Klotz, Martin/0000-0002-1783-375X; Ivanova, Natalia/0000-0002-5802-9485; KNAW, NIOO-KNAW/0000-0002-3835-159X FU U.S. Department of Energy, Office of Science JGI [DE-AC02-05CH11231, 1012224]; USDA NIFA [2011-67019-30178]; Utah Agricultural Experiment Station, Utah State University [UTA00371] FX We thank Frederica Valois for years of maintenance and documentation of the Stanley Watson and John Waterbury collection of AOB at WHOI and for sending us this organism. Original TEM micrographs were obtained from the WHOI Archives by F. Valois. We would like to thank Fen-Ann Shen (USU) for her help in obtaining the SEM. We thank JGI for re-sequencing this genome using improved sequencing technologies. The work was supported by the U.S. Department of Energy, Office of Science JGI under Contract No. DE-AC02-05CH11231 for CSP 2010 project 1012224; USDA NIFA Award 2011-67019-30178, and the Utah Agricultural Experiment Station, Utah State University project UTA00371 and approved as journal paper 8806. NR 54 TC 1 Z9 1 U1 11 U2 12 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1944-3277 J9 STAND GENOMIC SCI JI Stand. Genomic Sci. PD JUL 28 PY 2016 VL 11 AR 46 DI 10.1186/s40793-016-0168-4 PG 8 WC Genetics & Heredity; Microbiology SC Genetics & Heredity; Microbiology GA DW8PN UT WOS:000383918100001 PM 27471578 ER PT J AU Zhou, XW Chavez, JJ Almeida, S Zubia, D AF Zhou, X. W. Chavez, J. J. Almeida, S. Zubia, D. TI Understanding misfit strain releasing mechanisms via molecular dynamics simulations of CdTe growth on {112}zinc-blende CdS SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CRITICAL-LAYER-THICKNESS; DISLOCATION STABILITY; MULTILAYER STRUCTURES; EPITAXIAL LAYERS; VAPOR-DEPOSITION; THIN-FILMS; HETEROSTRUCTURES; RELAXATION; EPILAYERS; ENERGY AB Molecular dynamics simulations have been used to analyse microstructures of CdTe films grown on {112} surfaces of zinc- blende CdS. Interestingly, CdTe films grow in < 331 > orientations as opposed to < 112 > epitaxial orientations. At the CdTe-{331}/CdS-{112} interface, however, there exists an axis that is parallel to the < 110 > orientation of both CdS and CdTe. It is the direction orthogonal to this < 110 > that becomes different, being < 116 > for CdTe and < 111 > for CdS, respectively. Missing CdTe-{110} planes are found along the < 110 > axis, suggesting that the misfit strain is released by the conventional misfit dislocation mechanism along this axis. In the orthogonal axis, the misfit strain is found to be more effectively released by the new grain orientation mechanism. Our finding is supported by literature experimental observations of the change of growth direction when Cd0.96Zn0.04Te films are deposited on GaAs. Analyses of energetics clearly demonstrate the cause for the formation of the new orientation, and the insights gained from our studies can help understand the grain structures experimentally observed in lattice mismatched systems. Published by AIP Publishing. C1 [Zhou, X. W.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. [Chavez, J. J.; Almeida, S.; Zubia, D.] Univ Texas El Paso, Dept Elect Engn, El Paso, TX 79968 USA. RP Zhou, XW (reprint author), Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94550 USA. EM xzhou@sandia.gov FU U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE [EE0005958] FX Sandia National Laboratories was 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 No. DE-AC04-94AL85000. This work was performed under a DOE Project No. EE0005958, and under a Laboratory Directed Research and Development (LDRD) project. NR 25 TC 0 Z9 0 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 28 PY 2016 VL 120 IS 4 AR 045304 DI 10.1063/1.4959609 PG 7 WC Physics, Applied SC Physics GA DU7OV UT WOS:000382405400045 ER PT J AU Zhang, F Yang, FC Huang, JS Sumpter, BG Qiao, R AF Zhang, Fei Yang, Fengchang Huang, Jingsong Sumpter, Bobby G. Qiao, Rui TI Thermodynamics and Kinetics of Gas Storage in Porous Liquids SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID METAL-ORGANIC FRAMEWORKS; MOLECULAR SIMULATION; CAGES AB The recent synthesis of organic molecular liquids with permanent porosity opens up exciting new avenues for gas capture, storage, and separation. Using molecular simulations, we study the thermodynamics and kinetics for the storage of CH4, CO2, and N-2 molecules in porous liquids consisting of crown-ether-substituted cage molecules in a 15-crown-5 solvent. It is found that the intrinsic gas storage capacity per cage molecule follows the order CH4 > CO2 > N-2, which does not correlate simply with the size of gas molecules. Different gas molecules are stored inside the cage differently; e.g., CO2 molecules prefer the cage's core whereas CH4 molecules favor both the core and the branch regions. All gas molecules considered can enter the cage essentially without energy barriers and leave the cage on a nanosecond time scale by overcoming a modest energy penalty. The molecular mechanisms of these observations are clarified. C1 [Zhang, Fei; Yang, Fengchang; Qiao, Rui] Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA. [Huang, Jingsong; Sumpter, Bobby G.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Huang, Jingsong; Sumpter, Bobby G.] Oak Ridge Natl Lab, Comp Sci & Math Div, Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Qiao, R (reprint author), Virginia Tech, Dept Mech Engn, Blacksburg, VA 24061 USA. EM ruiqiao@vt.edu RI Sumpter, Bobby/C-9459-2013; Qiao, Rui/B-2350-2009 OI Sumpter, Bobby/0000-0001-6341-0355; Qiao, Rui/0000-0001-5219-5530 FU Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center - U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences FX We thank the ARC at Virginia Tech for generous allocations of computer time on the NewRiver cluster. R.Q. was partially supported by an appointment to the HERE program for faculty at the Oak Ridge National Laboratory administered by ORISE. J.H. acknowledges work performed at the Center for Nanophase Materials Sciences, a US DOE Office of Science User Facility. B.G.S. acknowledges support from the Center for Understanding and Control of Acid Gas-Induced Evolution of Materials for Energy (UNCAGE-ME), an Energy Frontier Research Center funded by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences. NR 20 TC 1 Z9 1 U1 24 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 28 PY 2016 VL 120 IS 29 BP 7195 EP 7200 DI 10.1021/acs.jpcb.6b04784 PG 6 WC Chemistry, Physical SC Chemistry GA DS4CZ UT WOS:000380730300017 PM 27379463 ER PT J AU Abelev, B Adamczyk, L Adkins, JK Agakishiev, G Aggarwal, MM Ahammed, Z Alekseev, I Aparin, A Arkhipkin, D Aschenauer, EC Ashraf, MU Attri, A Averichev, GS Bai, X Bairathi, V Barnby, LS Bellwied, R Bhasin, A Bhati, AK Bhattarai, P Bielcik, J Bielcikova, J Bland, LC Bombara, M Bordyuzhin, IG Bouchet, J Brandenburg, JD Brandin, AV Bunzarov, I Butterworth, J Caines, H Sanchez, MCD Campbell, JM Cebra, D Chakaberia, I Chaloupka, P Chang, Z Chatterjee, A Chattopadhyay, S Chen, JH Chen, X Cheng, J Cherney, M Christie, W Contin, G Crawford, HJ Das, S De Silva, LC Debbe, RR Dedovich, TG Deng, J Derevschikov, AA di Ruzza, B Didenko, L Dilks, C Dong, X Drachenberg, JL Draper, JE Du, CM Dunkelberger, LE Dunlop, JC Efimov, LG Engelage, J Eppley, G Esha, R Evdokimov, O Eyser, O Fatemi, R Fazio, S Federic, P Fedorisin, J Feng, Z Filip, P Fisyak, Y Flores, CE Fulek, L Gagliardi, CA Gaillard, L Garand, D Geurts, F Gibson, A Girard, M Greiner, L Grosnick, D Gunarathne, DS Guo, Y Gupta, A Gupta, S Guryn, W Hamad, AI Hamed, A Haque, R Harris, JW He, L Heppelmann, S Heppelmann, S Hirsch, A Hoffmann, GW Horvat, S Huang, T Huang, B Huang, X Huang, HZ Huck, P Humanic, TJ Igo, G Jacobs, WW Jang, H Jentsch, A Jia, J Jiang, K Jones, PG Judd, EG Kabana, S Kalinkin, D Kang, K Kauder, K Ke, HW Keane, D Kechechyan, A Khan, ZH Kikola, DP Kisel, I Kisiel, A Kochenda, L Koetke, DD Kosarzewski, LK Kraishan, AF Kravtsov, P Krueger, K Kumar, L Lamont, MAC Landgraf, JM Landry, KD Lauret, J Lebedev, A Lednicky, R Lee, JH Li, C Li, Y Li, W Li, X Li, X Lin, T Lisa, MA Liu, F Ljubicic, T Llope, WJ Lomnitz, M Longacre, RS Luo, S Luo, X Ma, L Ma, R Ma, GL Ma, YG Magdy, N Majka, R Manion, A Margetis, S Markert, C Matis, HS McDonald, D McKinzie, S Meehan, K Mei, JC Miller, ZW Minaev, NG Mioduszewski, S Mishra, D Mohanty, B Mondal, MM Morozov, DA Mustafa, MK Nandi, BK Nattrass, C Nasim, M Nayak, TK Nigmatkulov, G Niida, T Nogach, LV Noh, SY Novak, J Nurushev, SB Odyniec, G Ogawa, A Oh, K Okorokov, VA Olvitt, D Page, BS Pak, R Pan, YX Pandit, Y Panebratsev, Y Pawlik, B Pei, H Perkins, C Pile, P Pluta, J Poniatowska, K Porter, J Posik, M Poskanzer, AM Pruthi, NK Putschke, J Qiu, H Quintero, A Ramachandran, S Ray, RL Ritter, HG Roberts, JB Rogachevskiy, OV Romero, JL Ruan, L Rusnak, J Rusnakova, O Sahoo, NR Sahu, PK Sakrejda, I Salur, S Sandweiss, J Sarkar, A Schambach, J Scharenberg, RP Schmah, AM Schmidke, WB Schmitz, N Seger, J Seyboth, P Shah, N Shahaliev, E Shanmuganathan, PV Shao, M Sharma, B Sharma, A Sharma, MK Shen, WQ Shi, Z Shi, SS Shou, QY Sichtermann, EP Sikora, R Simko, M Singha, S Skoby, MJ Smirnov, N Smirnov, D Solyst, W Song, L Sorensen, P Spinka, HM Srivastava, B Stanislaus, TDS Stepanov, M Stock, R Strikhanov, M Stringfellow, B Sumbera, M Summa, B Sun, Y Sun, Z Sun, XM Surrow, B Svirida, DN Tang, Z Tang, AH Tarnowsky, T Tawfik, A Thader, J Thomas, JH Timmins, AR Tlusty, D Todoroki, T Tokarev, M Trentalange, S Tribble, RE Tribedy, P Tripathy, SK Tsai, OD Ullrich, T Underwood, DG Upsal, I Van Buren, G van Nieuwenhuizen, G Vandenbroucke, M Varma, R Vasiliev, AN Vertesi, R Videbaek, F Vokal, S Voloshin, SA Vossen, A Wang, H Wang, Y Wang, G Wang, Y Wang, JS Wang, F Webb, G Webb, JC Wen, L Westfall, GD Wieman, H Wissink, SW Witt, R Wu, Y Xiao, ZG Xie, W Xie, G Xin, K Xu, YF Xu, QH Xu, N Xu, J Xu, H Xu, Z Yang, Y Yang, Q Yang, S Yang, Y Yang, Y Yang, C Ye, Z Ye, Z Yi, L Yip, K Yoo, IK Yu, N Zbroszczyk, H Zha, W Zhang, S Zhang, XP Zhang, Y Zhang, S Zhang, JB Zhang, J Zhang, J Zhang, Z Zhao, J Zhong, C Zhou, L Zhu, X Zoulkarneeva, Y Zyzak, M AF Abelev, B. Adamczyk, L. Adkins, J. K. Agakishiev, G. Aggarwal, M. M. Ahammed, Z. Alekseev, I. Aparin, A. Arkhipkin, D. Aschenauer, E. C. Ashraf, M. U. Attri, A. Averichev, G. S. Bai, X. Bairathi, V. Barnby, L. S. Bellwied, R. Bhasin, A. Bhati, A. K. Bhattarai, P. Bielcik, J. Bielcikova, J. Bland, L. C. Bombara, M. Bordyuzhin, I. G. Bouchet, J. Brandenburg, J. D. Brandin, A. V. Bunzarov, I. Butterworth, J. Caines, H. Sanchez, M. Calderon de la Barca Campbell, J. M. Cebra, D. Chakaberia, I. Chaloupka, P. Chang, Z. Chatterjee, A. Chattopadhyay, S. Chen, J. H. Chen, X. Cheng, J. Cherney, M. Christie, W. Contin, G. Crawford, H. J. Das, S. De Silva, L. C. Debbe, R. R. Dedovich, T. G. Deng, J. Derevschikov, A. A. di Ruzza, B. Didenko, L. Dilks, C. Dong, X. Drachenberg, J. L. Draper, J. E. Du, C. M. Dunkelberger, L. E. Dunlop, J. C. Efimov, L. G. Engelage, J. Eppley, G. Esha, R. Evdokimov, O. Eyser, O. Fatemi, R. Fazio, S. Federic, P. Fedorisin, J. Feng, Z. Filip, P. Fisyak, Y. Flores, C. E. Fulek, L. Gagliardi, C. A. Gaillard, L. Garand, D. Geurts, F. Gibson, A. Girard, M. Greiner, L. Grosnick, D. Gunarathne, D. S. Guo, Y. Gupta, A. Gupta, S. Guryn, W. Hamad, A. I. Hamed, A. Haque, R. Harris, J. W. He, L. Heppelmann, S. Heppelmann, S. Hirsch, A. Hoffmann, G. W. Horvat, S. Huang, T. Huang, B. Huang, X. Huang, H. Z. Huck, P. Humanic, T. J. Igo, G. Jacobs, W. W. Jang, H. Jentsch, A. Jia, J. Jiang, K. Jones, P. G. Judd, E. G. Kabana, S. Kalinkin, D. Kang, K. Kauder, K. Ke, H. W. Keane, D. Kechechyan, A. Khan, Z. H. Kikola, D. P. Kisel, I. Kisiel, A. Kochenda, L. Koetke, D. D. Kosarzewski, L. K. Kraishan, A. F. Kravtsov, P. Krueger, K. Kumar, L. Lamont, M. A. C. Landgraf, J. M. Landry, K. D. Lauret, J. Lebedev, A. Lednicky, R. Lee, J. H. Li, C. Li, Y. Li, W. Li, X. Li, X. Lin, T. Lisa, M. A. Liu, F. Ljubicic, T. Llope, W. J. Lomnitz, M. Longacre, R. S. Luo, S. Luo, X. Ma, L. Ma, R. Ma, G. L. Ma, Y. G. Magdy, N. Majka, R. Manion, A. Margetis, S. Markert, C. Matis, H. S. McDonald, D. McKinzie, S. Meehan, K. Mei, J. C. Miller, Z. W. Minaev, N. G. Mioduszewski, S. Mishra, D. Mohanty, B. Mondal, M. M. Morozov, D. A. Mustafa, M. K. Nandi, B. K. Nattrass, C. Nasim, Md. Nayak, T. K. Nigmatkulov, G. Niida, T. Nogach, L. V. Noh, S. Y. Novak, J. Nurushev, S. B. Odyniec, G. Ogawa, A. Oh, K. Okorokov, V. A. Olvitt, D., Jr. Page, B. S. Pak, R. Pan, Y. X. Pandit, Y. Panebratsev, Y. Pawlik, B. Pei, H. Perkins, C. Pile, P. Pluta, J. Poniatowska, K. Porter, J. Posik, M. Poskanzer, A. M. Pruthi, N. K. Putschke, J. Qiu, H. Quintero, A. Ramachandran, S. Ray, R. L. Ritter, H. G. Roberts, J. B. Rogachevskiy, O. V. Romero, J. L. Ruan, L. Rusnak, J. Rusnakova, O. Sahoo, N. R. Sahu, P. K. Sakrejda, I. Salur, S. Sandweiss, J. Sarkar, A. Schambach, J. Scharenberg, R. P. Schmah, A. M. Schmidke, W. B. Schmitz, N. Seger, J. Seyboth, P. Shah, N. Shahaliev, E. Shanmuganathan, P. V. Shao, M. Sharma, B. Sharma, A. Sharma, M. K. Shen, W. Q. Shi, Z. Shi, S. S. Shou, Q. Y. Sichtermann, E. P. Sikora, R. Simko, M. Singha, S. Skoby, M. J. Smirnov, N. Smirnov, D. Solyst, W. Song, L. Sorensen, P. Spinka, H. M. Srivastava, B. Stanislaus, T. D. S. Stepanov, M. Stock, R. Strikhanov, M. Stringfellow, B. Sumbera, M. Summa, B. Sun, Y. Sun, Z. Sun, X. M. Surrow, B. Svirida, D. N. Tang, Z. Tang, A. H. Tarnowsky, T. Tawfik, A. Thader, J. Thomas, J. H. Timmins, A. R. Tlusty, D. Todoroki, T. Tokarev, M. Trentalange, S. Tribble, R. E. Tribedy, P. Tripathy, S. K. Tsai, O. D. Ullrich, T. Underwood, D. G. Upsal, I. Van Buren, G. van Nieuwenhuizen, G. Vandenbroucke, M. Varma, R. Vasiliev, A. N. Vertesi, R. Videbaek, F. Vokal, S. Voloshin, S. A. Vossen, A. Wang, H. Wang, Y. Wang, G. Wang, Y. Wang, J. S. Wang, F. Webb, G. Webb, J. C. Wen, L. Westfall, G. D. Wieman, H. Wissink, S. W. Witt, R. Wu, Y. Xiao, Z. G. Xie, W. Xie, G. Xin, K. Xu, Y. F. Xu, Q. H. Xu, N. Xu, J. Xu, H. Xu, Z. Yang, Y. Yang, Q. Yang, S. Yang, Y. Yang, Y. Yang, C. Ye, Z. Ye, Z. Yi, L. Yip, K. Yoo, I. -K. Yu, N. Zbroszczyk, H. Zha, W. Zhang, S. Zhang, X. P. Zhang, Y. Zhang, S. Zhang, J. B. Zhang, J. Zhang, J. Zhang, Z. Zhao, J. Zhong, C. Zhou, L. Zhu, X. Zoulkarneeva, Y. Zyzak, M. CA STAR Collaboration TI Near-side azimuthal and pseudorapidity correlations using neutral strange baryons and mesons in d plus Au, Cu plus Cu, and Au plus Au collisions at root S-NN=200 GeV SO PHYSICAL REVIEW C LA English DT Article ID PROTON-PROTON COLLISIONS; TRANSVERSE-MOMENTUM; ROOT-S(NN)=2.76 TEV; PARTICLE-PRODUCTION; PBPB COLLISIONS; DEPENDENCE; ALICE; SUPPRESSION; DETECTOR; ENERGY AB We present measurements of the near side of triggered di-hadron correlations using neutral strange baryons ( A, (A) over bar) and mesons (K-s(0)) at intermediate transverse momentum ( 3 < p(T) < 6 GeV/c) to look for possible flavor and baryon-meson dependence. This study is performed in d+Au, Cu+Cu, and Au+Au collisions at root S-NN = 200 GeV measured by the STAR experiment at RHIC. The near-side di-hadron correlation contains two structures, a peak which is narrow in azimuth and pseudorapidity consistent with correlations from jet fragmentation, and a correlation in azimuth which is broad in pseudorapidity. The particle composition of the jet-like correlation is determined using identified associated particles. The dependence of the conditional yield of the jet-like correlation on the trigger particle momentum, associated particle momentum, and centrality for correlations with unidentified trigger particles are presented. The neutral strange particle composition in jet-like correlations with unidentified charged particle triggers is not well described by PYTHIA. However, the yield of unidentified particles in jet-like correlations with neutral strange particle triggers is described reasonably well by the same model. C1 [Adamczyk, L.; Fulek, L.; Sikora, R.] AGH Univ Sci & Technol, FPACS, PL-30059 Krakow, Poland. [Krueger, K.; Spinka, H. M.; Underwood, D. G.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Arkhipkin, D.; Aschenauer, E. C.; Bland, L. C.; Chakaberia, I.; Christie, W.; Debbe, R. R.; di Ruzza, B.; Didenko, L.; Dunlop, J. C.; Eyser, O.; Fazio, S.; Fisyak, Y.; Guryn, W.; Jia, J.; Ke, H. W.; Lamont, M. A. C.; Landgraf, J. M.; Lauret, J.; Lebedev, A.; Lee, J. H.; Ljubicic, T.; Longacre, R. S.; Ma, R.; Ogawa, A.; Page, B. S.; Pak, R.; Pile, P.; Ruan, L.; Schmidke, W. B.; Smirnov, D.; Sorensen, P.; Tang, A. H.; Todoroki, T.; Tribedy, P.; Ullrich, T.; Van Buren, G.; van Nieuwenhuizen, G.; Videbaek, F.; Wang, H.; Webb, G.; Webb, J. C.; Xu, Z.; Yip, K.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Crawford, H. J.; Engelage, J.; Judd, E. G.; Perkins, C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Sanchez, M. Calderon de la Barca; Cebra, D.; Draper, J. E.; Flores, C. E.; Heppelmann, S.; Meehan, K.; Romero, J. L.] Univ Calif Davis, Davis, CA 95616 USA. [Dunkelberger, L. E.; Esha, R.; Huang, H. Z.; Igo, G.; Landry, K. D.; Nasim, Md.; Pan, Y. X.; Trentalange, S.; Tsai, O. D.; Wang, G.; Wen, L.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Bai, X.; Feng, Z.; Huck, P.; Liu, F.; Luo, X.; Pei, H.; Shi, S. S.; Sun, X. M.; Wang, Y.; Xu, J.; Yang, Y.; Yu, N.; Zhang, J. B.] Cent China Normal Univ, Wuhan 430079, Hubei, Peoples R China. [Evdokimov, O.; Huang, B.; Khan, Z. H.; Luo, S.; Miller, Z. W.; Pandit, Y.; Ye, Z.] Univ Illinois, Chicago, IL 60607 USA. [Cherney, M.; De Silva, L. C.; Seger, J.] Creighton Univ, Omaha, NE 68178 USA. [Bielcik, J.; Chaloupka, P.; Rusnakova, O.] Czech Tech Univ, FNSPE, Prague 11519, Czech Republic. [Bielcikova, J.; Federic, P.; Rusnak, J.; Simko, M.; Sumbera, M.; Vertesi, R.] AS CR, Nucl Phys Inst, Prague 25068, Czech Republic. [Kisel, I.; Stock, R.; Zyzak, M.] FIAS, D-60438 Frankfurt, Germany. [Das, S.; Sahu, P. K.; Tripathy, S. K.] Inst Phys, Bhubaneswar 751005, Orissa, India. [Nandi, B. K.; Sarkar, A.; Varma, R.] Indian Inst Technol, Mumbai 400076, Maharashtra, India. [Jacobs, W. W.; Kalinkin, D.; Lin, T.; Skoby, M. J.; Solyst, W.; Vossen, A.; Wissink, S. W.] Indiana Univ, Bloomington, IN 47408 USA. [Alekseev, I.; Bordyuzhin, I. G.; Svirida, D. N.] Alikhanov Inst Theoret & Expt Phys, Moscow 117218, Russia. [Bhasin, A.; Gupta, A.; Gupta, S.; Sharma, A.; Sharma, M. K.] Univ Jammu, Jammu 180001, India. [Agakishiev, G.; Aparin, A.; Averichev, G. S.; Bunzarov, I.; Dedovich, T. G.; Efimov, L. G.; Fedorisin, J.; Filip, P.; Kechechyan, A.; Lednicky, R.; Panebratsev, Y.; Rogachevskiy, O. V.; Shahaliev, E.; Tokarev, M.; Vokal, S.; Zoulkarneeva, Y.] Joint Inst Nucl Res, Dubna, Russia. [Bouchet, J.; Hamad, A. I.; Kabana, S.; Keane, D.; Lomnitz, M.; Margetis, S.; Quintero, A.; Shanmuganathan, P. V.; Singha, S.; Wu, Y.] Kent State Univ, Kent, OH 44242 USA. [Adkins, J. K.; Fatemi, R.; Ramachandran, S.] Univ Kentucky, Lexington, KY 40506 USA. [Jang, H.; Noh, S. Y.] Korea Inst Sci & Technol Informat, Taejon 305701, South Korea. [Chen, X.; Du, C. M.; Sun, Z.; Wang, J. S.; Xu, H.; Yang, Y.; Zhang, J.] Chinese Acad Sci, Inst Modern Phys, Lanzhou, Gansu 730000, Peoples R China. [Contin, G.; Dong, X.; Greiner, L.; Manion, A.; Matis, H. S.; McKinzie, S.; Mustafa, M. K.; Odyniec, G.; Porter, J.; Poskanzer, A. M.; Qiu, H.; Ritter, H. G.; Sakrejda, I.; Salur, S.; Schmah, A. M.; Shi, Z.; Sichtermann, E. P.; Thader, J.; Thomas, J. H.; Wieman, H.; Xu, N.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Schmitz, N.; Seyboth, P.] Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. [Novak, J.; Tarnowsky, T.; Westfall, G. D.] Michigan State Univ, E Lansing, MI 48824 USA. [Brandin, A. V.; Kochenda, L.; Kravtsov, P.; Nigmatkulov, G.; Okorokov, V. A.; Strikhanov, M.] Natl Res Nucl Univ MEPhI, Moscow 115409, Russia. [Bairathi, V.; Haque, R.; Mishra, D.; Mohanty, B.] Natl Inst Sci Educ & Res, Bhubaneswar 751005, Orissa, India. [Huang, T.; Yang, Y.] Natl Cheng Kung Univ, Tainan 70101, Taiwan. [Campbell, J. M.; Humanic, T. J.; Lisa, M. A.; Upsal, I.] Ohio State Univ, Columbus, OH 43210 USA. [Pawlik, B.] Inst Nucl Phys PAN, PL-31342 Krakow, Poland. [Aggarwal, M. M.; Attri, A.; Bhati, A. K.; Kumar, L.; Pruthi, N. K.; Sharma, B.] Panjab Univ, Chandigarh 160014, India. [Dilks, C.; Heppelmann, S.; Summa, B.] Penn State Univ, University Pk, PA 16802 USA. [Derevschikov, A. A.; Minaev, N. G.; Morozov, D. A.; Nogach, L. V.; Nurushev, S. B.; Vasiliev, A. N.] Inst High Energy Phys, Protvino 142281, Russia. [Garand, D.; He, L.; Hirsch, A.; Scharenberg, R. P.; Srivastava, B.; Stepanov, M.; Stringfellow, B.; Wang, F.; Xie, W.; Zhao, J.] Purdue Univ, W Lafayette, IN 47907 USA. [Oh, K.; Yoo, I. -K.] Pusan Natl Univ, Pusan 46241, South Korea. [Brandenburg, J. D.; Butterworth, J.; Eppley, G.; Geurts, F.; Roberts, J. B.; Tlusty, D.; Xin, K.] Rice Univ, Houston, TX 77251 USA. [Guo, Y.; Jiang, K.; Li, C.; Li, X.; Shao, M.; Sun, Y.; Tang, Z.; Xie, G.; Yang, Q.; Yang, S.; Yang, C.; Zha, W.; Zhang, Y.; Zhang, S.; Zhou, L.] Univ Sci & Technol China, Hefei 230026, Anhui, Peoples R China. [Deng, J.; Mei, J. C.; Xu, Q. H.; Zhang, J.] Shandong Univ, Jinan 250100, Shandong, Peoples R China. [Chen, J. H.; Li, W.; Ma, L.; Ma, G. L.; Ma, Y. G.; Shah, N.; Shen, W. Q.; Shou, Q. Y.; Xu, Y. F.; Zhang, S.; Zhang, Z.; Zhong, C.] Chinese Acad Sci, Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. [Magdy, N.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Gunarathne, D. S.; Kraishan, A. F.; Li, X.; Olvitt, D., Jr.; Posik, M.; Surrow, B.; Vandenbroucke, M.] Temple Univ, Philadelphia, PA 19122 USA. [Chang, Z.; Gagliardi, C. A.; Hamed, A.; Mioduszewski, S.; Mondal, M. M.; Sahoo, N. R.; Tribble, R. E.] Texas A&M Univ, College Stn, TX 77843 USA. [Barnby, L. S.; Bombara, M.; Gaillard, L.; Jones, P. G.] Univ Birmingham, Birmingham, W Midlands, England. [Bhattarai, P.; Hoffmann, G. W.; Jentsch, A.; Markert, C.; Ray, R. L.; Schambach, J.] Univ Texas Austin, Austin, TX 78712 USA. [Bellwied, R.; McDonald, D.; Song, L.; Timmins, A. R.] Univ Houston, Houston, TX 77204 USA. [Ashraf, M. U.; Cheng, J.; Huang, X.; Kang, K.; Li, Y.; Wang, Y.; Xiao, Z. G.; Zhang, X. P.; Zhu, X.] Tsinghua Univ, Beijing 100084, Peoples R China. [Witt, R.] US Naval Acad, Annapolis, MD 21402 USA. [Drachenberg, J. L.; Gibson, A.; Grosnick, D.; Koetke, D. D.; Stanislaus, T. D. S.] Valparaiso Univ, Valparaiso, IN 46383 USA. [Ahammed, Z.; Chatterjee, A.; Chattopadhyay, S.; Nayak, T. K.] Ctr Variable Energy Cyclotron, Kolkata 700064, India. [Girard, M.; Kikola, D. P.; Kisiel, A.; Kosarzewski, L. K.; Poniatowska, K.; Zbroszczyk, H.] Warsaw Univ Technol, PL-00661 Warsaw, Poland. [Kauder, K.; Llope, W. J.; Niida, T.; Putschke, J.; Voloshin, S. A.] Wayne State Univ, Detroit, MI 48201 USA. [Pluta, J.; Tawfik, A.] WLCAPP, Cairo 11571, Egypt. [Abelev, B.; Caines, H.; Harris, J. W.; Horvat, S.; Majka, R.; Nattrass, C.; Sandweiss, J.; Smirnov, N.; Yi, L.] Yale Univ, New Haven, CT 06520 USA. RP Abelev, B (reprint author), Yale Univ, New Haven, CT 06520 USA. RI Fazio, Salvatore /G-5156-2010; Xin, Kefeng/O-9195-2016; Yi, Li/Q-1705-2016; Barnby, Lee/G-2135-2010; Alekseev, Igor/J-8070-2014; Svirida, Dmitry/R-4909-2016; Nattrass, Christine/J-6752-2016; Okorokov, Vitaly/C-4800-2017; Ma, Yu-Gang/M-8122-2013; Gunarathne, Devika/C-4903-2017 OI Xin, Kefeng/0000-0003-4853-9219; Yi, Li/0000-0002-7512-2657; Barnby, Lee/0000-0001-7357-9904; Alekseev, Igor/0000-0003-3358-9635; Nattrass, Christine/0000-0002-8768-6468; Okorokov, Vitaly/0000-0002-7162-5345; Ma, Yu-Gang/0000-0002-0233-9900; Gunarathne, Devika/0000-0002-7155-7418 FU RHIC Operations Group and RCF at BNL; NERSC Center at LBNL; KISTI Center in Korea; Open Science Grid consortium; Office of Nuclear Physics within the U.S. DOE Office of Science; U.S. NSF; Ministry of Education and Science of the Russian Federation; NSFC of China; CAS of China; MoST of China; MoE of China; National Research Foundation of Korea; NCKU (Taiwan); MSMT of the Czech Republic; FIAS of Germany; DAE of India; DST of India; UGC of India; National Science Centre of Poland; National Research Foundation; Ministry of Science, Education and Sports of the Republic of Croatia; RosAtom of Russia; GA of the Czech Republic FX We thank the RHIC Operations Group and RCF at BNL, the NERSC Center at LBNL, the KISTI Center in Korea, and the Open Science Grid consortium for providing resources and support. This work was supported in part by the Office of Nuclear Physics within the U.S. DOE Office of Science, the U.S. NSF, the Ministry of Education and Science of the Russian Federation, NSFC, CAS, MoST, and MoE of China, the National Research Foundation of Korea, NCKU (Taiwan), GA and MSMT of the Czech Republic, FIAS of Germany, DAE, DST, and UGC of India, the National Science Centre of Poland, National Research Foundation, the Ministry of Science, Education and Sports of the Republic of Croatia, and RosAtom of Russia. NR 50 TC 0 Z9 0 U1 12 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 28 PY 2016 VL 94 IS 1 AR 014910 DI 10.1103/PhysRevC.94.014910 PG 9 WC Physics, Nuclear SC Physics GA DT4ZN UT WOS:000381490400004 ER PT J AU Guidoboni, G Stephenson, E Andrianov, S Augustyniak, W Bagdasarian, Z Bai, M Baylac, M Bernreuther, W Bertelli, S Berz, M Boker, J Bohme, C Bsaisou, J Chekmenev, S Chiladze, D Ciullo, G Contalbrigo, M de Conto, JM Dymov, S Engels, R Esser, FM Eversmann, D Felden, O Gaisser, M Gebel, R Gluckler, H Goldenbaum, F Grigoryev, K Grzonka, D Hahnraths, T Heberling, D Hejny, V Hempelmann, N Hetze, J Hinder, F Hipple, R Holscher, D Ivanov, A Kacharava, A Kamerdzhiev, V Kamys, B Keshelashvili, I Khoukaz, A Koop, I Krause, HJ Krewald, S Kulikov, A Lehrach, A Lenisa, P Lomidze, N Lorentz, B Maanen, P Macharashvili, G Magiera, A Maier, R Iviakino, K Marianski, B Mchedlishvili, D Meissner, UG Mey, S Morse, W Mueller, F Nass, A Natour, G Nikolaev, N Nioradze, M Nowakowski, K Orlov, Y Pesce, A Prasuhn, D Pretz, J Rathmann, F Ritman, J Rosenthal, M Rudy, Z Saleev, A Sefzick, T Senriertzidis, Y Senichev, Y Shmakova, V Silenko, A Simon, M Slim, J Soltner, H Stah, A Stassen, R Statera, M Stockhorst, H Straatmann, H Stroher, H Tabidze, M Talman, R Engblom, PT Trinke, F Trzcinski, A Uzikov, Y Valdati, Y Valetov, E Vassiliev, A Weidemann, C Wilkin, C Wronska, A Wustner, P Zakrzewska, M Zupranski, P Zyuzin, D AF Guidoboni, G. Stephenson, E. Andrianov, S. Augustyniak, W. Bagdasarian, Z. Bai, M. Baylac, M. Bernreuther, W. Bertelli, S. Berz, M. Boeker, J. Boehme, C. Bsaisou, J. Chekmenev, S. Chiladze, D. Ciullo, G. Contalbrigo, M. de Conto, J. -M. Dymov, S. Engels, R. Esser, F. M. Eversmann, D. Felden, O. Gaisser, M. Gebel, R. Glueckler, H. Goldenbaum, F. Grigoryev, K. Grzonka, D. Hahnraths, T. Heberling, D. Hejny, V. Hempelmann, N. Hetze, J. Hinder, F. Hipple, R. Hoelscher, D. Ivanov, A. Kacharava, A. Kamerdzhiev, V. Kamys, B. Keshelashvili, I. Khoukaz, A. Koop, I. Krause, H. -J. Krewald, S. Kulikov, A. Lehrach, A. Lenisa, P. Lomidze, N. Lorentz, B. Maanen, P. macharashvili, G. Magiera, A. Maier, R. Iviakino, K. Marianski, B. Mchedlishvili, D. Meissner, Ulf-G. Mey, S. Morse, W. Mueller, F. Nass, A. Natour, G. Nikolaev, N. Nioradze, M. Nowakowski, K. Orlov, Y. Pesce, A. Prasuhn, D. Pretz, J. Rathmann, F. Ritman, J. Rosenthal, M. Rudy, Z. Saleev, A. Sefzick, T. Senriertzidis, Y. Senichev, Y. Shmakova, V. Silenko, A. Simon, M. Slim, J. Soltner, H. Stah, A. Stassen, R. Statera, M. Stockhorst, H. Straatmann, H. Stroeher, H. Tabidze, M. Talman, R. Engblom, P. Thorngren Trinke, F. Trzcinski, A. Uzikov, Yu. Valdati, Yu. Valetov, E. Vassiliev, A. Weidemann, C. Wilkin, C. Wronska, A. Wuestner, P. Zakrzewska, M. Zupranski, P. Zyuzin, D. CA JEDI Collaboration TI How to Reach a Thousand-Second in-Plane Polarization Lifetime with 0.97-GeV/c Deuterons in a Storage Ring SO PHYSICAL REVIEW LETTERS LA English DT Article ID ANOMALOUS MAGNETIC-MOMENTS; ELECTRIC-DIPOLE MOMENTS; SENSITIVITY AB We observe a deuteron beam polarization lifetime near 1000 s in the horizontal plane of a magnetic storage ring (COSY). This long spin coherence time is maintained through a combination of beam bunching, electron cooling, sextupole field corrections, and the suppression of collective effects through beam current limits. This record lifetime is required for a storage ring search for an intrinsic electric dipole moment on the deuteron at a statistical sensitivity level approaching 10(-29) e cm. C1 [Guidoboni, G.; Bertelli, S.; Ciullo, G.; Contalbrigo, M.; Lenisa, P.; Morse, W.; Pesce, A.; Statera, M.; Engblom, P. Thorngren] Univ Ferrara, I-44100 Ferrara, Italy. [Guidoboni, G.; Bertelli, S.; Ciullo, G.; Contalbrigo, M.; Lenisa, P.; Morse, W.; Pesce, A.; Statera, M.; Engblom, P. Thorngren] INFN, I-44100 Ferrara, Italy. [Stephenson, E.] Indiana Univ, Ctr Spacetime Symmetries, Bloomington, IN 47405 USA. [Andrianov, S.; Ivanov, A.] St Petersburg State Univ, Fac Appl Math & Control Proc, St Petersburg 198504, Russia. [Augustyniak, W.; Marianski, B.; Trzcinski, A.; Zupranski, P.] Natl Ctr Nucl Res, Dept Nucl Phys, PL-00681 Warsaw, Poland. [Bagdasarian, Z.; Chiladze, D.; Ivanov, A.; Lomidze, N.; macharashvili, G.; Mchedlishvili, D.; Nioradze, M.; Tabidze, M.] Tbilisi State Univ, High Energy Phys Inst, Tbilisi 0186, Rep of Georgia. [Bagdasarian, Z.; Bai, M.; Boeker, J.; Boehme, C.; Bsaisou, J.; Chiladze, D.; Dymov, S.; Engels, R.; Felden, O.; Gebel, R.; Goldenbaum, F.; Grzonka, D.; Hahnraths, T.; Hejny, V.; Hetze, J.; Hinder, F.; Kacharava, A.; Kamerdzhiev, V.; Keshelashvili, I.; Krewald, S.; Lehrach, A.; Lorentz, B.; Maier, R.; Mchedlishvili, D.; Meissner, Ulf-G.; Mey, S.; Mueller, F.; Natour, G.; Prasuhn, D.; Rathmann, F.; Ritman, J.; Rosenthal, M.; Sefzick, T.; Senichev, Y.; Simon, M.; Stassen, R.; Stockhorst, H.; Stroeher, H.; Trinke, F.; Weidemann, C.; Zyuzin, D.] Forschungszentrum Julich, Inst Kernphys, D-52425 Julich, Germany. [Bai, M.; Bernreuther, W.; Heberling, D.; Lehrach, A.; Maier, R.; Meissner, Ulf-G.; Nass, A.; Pretz, J.; Ritman, J.; Stah, A.; Stroeher, H.] Forschungszentrum Julich, JARA FAME Forces & Matter Experiments, D-52056 Aachen, Germany. [Bai, M.; Bernreuther, W.; Heberling, D.; Lehrach, A.; Maier, R.; Meissner, Ulf-G.; Nass, A.; Pretz, J.; Ritman, J.; Stah, A.; Stroeher, H.] Rhein Westfal TH Aachen, D-52056 Aachen, Germany. [Baylac, M.; de Conto, J. -M.] Univ Grenoble Alpes, CNRSIN2P3, LPSC, F-38000 Grenoble, France. [Bernreuther, W.] Rhein Westfal TH Aachen, Inst Theoret Teilchenphys & Kosmol, D-52056 Aachen, Germany. [Berz, M.; Hipple, R.; Iviakino, K.; Valetov, E.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Bsaisou, J.; Meissner, Ulf-G.] Forschungszentrum Julich, Inst Adv Simulat, D-52425 Julich, Germany. [Chekmenev, S.; Eversmann, D.; Grigoryev, K.; Hempelmann, N.; Hinder, F.; Maanen, P.; Mey, S.; Nass, A.; Pretz, J.; Rosenthal, M.; Stah, A.; Trinke, F.] Rhein Westfal TH Aachen, Phys Inst B 3, D-52056 Aachen, Germany. [Dymov, S.; Kulikov, A.; macharashvili, G.; Shmakova, V.; Uzikov, Yu.] Joint Inst Nucl Res, Lab Nucl Problems, Dubna 141980, Russia. [Esser, F. M.; Glueckler, H.; Soltner, H.; Straatmann, H.; Wuestner, P.] Forschungszentrum Julich, Zentralinst Engn Elekt & Analyt, D-52425 Julich, Germany. [Gaisser, M.; Senriertzidis, Y.] Inst for Basic Sci Korea, Ctr Axion & Precis Phys Res, 291 Daehak Ro, Daejeon 305701, South Korea. [Heberling, D.; Hoelscher, D.; Slim, J.] Rhein Westfal TH Aachen, Inst Hochfrequenztech, D-52056 Aachen, Germany. [Kamys, B.; Magiera, A.; Nowakowski, K.; Rudy, Z.; Wronska, A.; Zakrzewska, M.] Jagiellonian Univ, Inst Phys, PL-30348 Krakow, Poland. [Khoukaz, A.] Univ Munster, Inst Kernphys, D-48149 Munster, Germany. [Koop, I.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. [Krause, H. -J.] Forschungszentrum Julich, Peter Grunberg Inst, D-52425 Julich, Germany. [Meissner, Ulf-G.; Valdati, Yu.] Univ Bonn, Helmholtz Inst Strahlen & Kernphys, D-53115 Bonn, Germany. [Meissner, Ulf-G.] Univ Bonn, Bethe Ctr Theoret Phys, D-53115 Bonn, Germany. Brookhaven Natl Lab, Upton, NY 11973 USA. [Nikolaev, N.] LD Landau Inst Theoret Phys, Chernogolovka 142432, Russia. [Nikolaev, N.] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Russia. [Orlov, Y.; Talman, R.] Cornell Univ, Ithaca, NY 14850 USA. [Saleev, A.] Samara State Aerosp Univ, Samara 443086, Russia. [Senriertzidis, Y.] Korea Adv Inst Sci & Technol, Dept Phys, Daejeon 305701, South Korea. [Silenko, A.] Belarusian State Univ, Res Inst Nucl Problems, Minsk 220030, Byelarus. [Silenko, A.] Joint Inst Nucl Res, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. [Engblom, P. Thorngren] KTH Royal Inst Technol, Dept Phys, SE-10691 Stockholm, Sweden. [Valdati, Yu.; Vassiliev, A.] Petersburg Nucl Phys Inst, Gatchina 188300, Russia. [Wilkin, C.] UCL, Dept Phys & Astron, London WC1E 6BT, England. RP Guidoboni, G (reprint author), Univ Ferrara, I-44100 Ferrara, Italy.; Guidoboni, G (reprint author), INFN, I-44100 Ferrara, Italy. RI Wronska, Aleksandra/O-6368-2015; Andrianov, Serge/J-3608-2013; Semertzidis, Yannis K./N-1002-2013; Rathmann, Frank/A-7377-2008; Krause, Hans-Joachim/G-5247-2012; OI Wronska, Aleksandra/0000-0003-0126-3315; Rathmann, Frank/0000-0003-0824-2103; Krause, Hans-Joachim/0000-0002-7526-9894; Weidemann, Christian/0000-0002-2115-6667; Bagdasarian, Zara/0000-0003-0877-496X; Lehrach, Andreas/0000-0002-6991-2257 FU Forschungszentrum Julich via COSY-FFE; EU Integrated Infrastructure Initiative [FP7-10 INFRASTRUCTURES-1, 227431]; Shota Rustaveli National Science Foundation of the Republic of Georgia; Chinese Academy of Sciences (CAS) President's International Fellowship Initiative (PIFI) [2015VMA076]; Brookhaven Science Associates, LLC [DE-SC0012709]; South Korean Institute for Basic Sciences (KAIST) [IBS-R017-D1-2016-a00]; University of Ferrara [FONDI 5 X 1000 ANNO 2011]; Russian Science Foundation [16-12-10151] FX The authors wish to thank other members of the Storage Ring EDM Collaboration [29] for their help with this experiment. We also wish to acknowledge the staff of COSY for providing good working conditions and for their support of the technical aspects of this experiment. This work has been financially supported by the Forschungszentrum Julich via COSY-FFE, the EU Integrated Infrastructure Initiative (FP7-10 INFRASTRUCTURES-2012-1, Grant Agreement No. 227431), and the Shota Rustaveli National Science Foundation of the Republic of Georgia. The work of U. G. M. was also supported by the Chinese Academy of Sciences (CAS) President's International Fellowship Initiative (PIFI) (Grant No. 2015VMA076). This manuscript has been authorized by the Brookhaven Science Associates, LLC, under Contract No. DE-SC0012709 with the U.S. Department of Energy. This work was partially supported by the South Korean Institute for Basic Sciences (KAIST) Grant No. IBS-R017-D1-2016-a00. G. G. acknowledges the support of Travel Grant No. FONDI 5 X 1000 ANNO 2011 from the University of Ferrara. N. N. and A. Saleev acknowledge support from the Russian Science Foundation Grant No. 16-12-10151. NR 27 TC 1 Z9 1 U1 9 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 28 PY 2016 VL 117 IS 5 AR 054801 DI 10.1103/PhysRevLett.117.054801 PG 6 WC Physics, Multidisciplinary SC Physics GA DT4SH UT WOS:000381470600003 PM 27517774 ER PT J AU Dar, RD Shaffer, SM Singh, A Razooky, BS Simpson, ML Raj, A Weinberger, LS AF Dar, Roy D. Shaffer, Sydney M. Singh, Abhyudai Razooky, Brandon S. Simpson, Michael L. Raj, Arjun Weinberger, Leor S. TI Transcriptional Bursting Explains the Noise-Versus-Mean Relationship in mRNA and Protein Levels SO PLOS ONE LA English DT Article ID GENE-EXPRESSION; STOCHASTIC NOISE AB Recent analysis demonstrates that the HIV-1 Long Terminal Repeat (HIV LTR) promoter exhibits a range of possible transcriptional burst sizes and frequencies for any mean-expression level. However, these results have also been interpreted as demonstrating that cell-tocell expression variability (noise) and mean are uncorrelated, a significant deviation from previous results. Here, we re-examine the available mRNA and protein abundance data for the HIV LTR and find that noise in mRNA and protein expression scales inversely with the mean along analytically predicted transcriptional burst-sizemanifolds. We then experimentally perturb transcriptional activity to test a prediction of the multiple burst-size model: that increasing burst frequency will cause mRNA noise to decrease along given burst-size lines as mRNA levels increase. The data show that mRNA and protein noise decrease as mean expression increases, supporting the canonical inverse correlation between noise and mean. C1 [Dar, Roy D.] Univ Illinois, Dept Bioengn, Urbana, IL 61820 USA. [Dar, Roy D.] Univ Illinois, Carl R Woese Inst Genom Biol, Urbana, IL 61820 USA. [Dar, Roy D.] Univ Illinois, Ctr Biophys & Quantitat Biol, Urbana, IL 61820 USA. [Shaffer, Sydney M.; Raj, Arjun] Univ Penn, Dept Bioengn, Philadelphia, PA 19104 USA. [Singh, Abhyudai] Univ Delaware, Dept Elect & Comp Engn, Newark, DE USA. [Razooky, Brandon S.] Rockefeller Univ, 1230 York Ave, New York, NY 10021 USA. [Simpson, Michael L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. [Simpson, Michael L.] Univ Tennessee, Bredesen Ctr Interdisciplinary Res & Grad Educ, Knoxville, TN USA. [Simpson, Michael L.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Weinberger, Leor S.] Gladstone Inst, Virol & Immunol, San Francisco, CA USA. [Weinberger, Leor S.] Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94143 USA. RP Dar, RD (reprint author), Univ Illinois, Dept Bioengn, Urbana, IL 61820 USA.; Dar, RD (reprint author), Univ Illinois, Carl R Woese Inst Genom Biol, Urbana, IL 61820 USA.; Dar, RD (reprint author), Univ Illinois, Ctr Biophys & Quantitat Biol, Urbana, IL 61820 USA. EM roydar@illinois.edu OI Raj, Arjun/0000-0002-2915-6960 FU NIH NIAID Career Transition Award [AI120746]; NIH NIAID F30 Fellowship [1F30AI114475-01A1]; Merck Postdoctoral Fellowship at The Rockefeller University; University of Tennessee/Oak Ridge National Laboratory Joint Institute for Biological Sciences; NIH [R01AI109593, DP2OD006677] FX RDD was supported by an NIH NIAID Career Transition Award (AI120746). SMS acknowledges an NIH NIAID F30 Fellowship (1F30AI114475-01A1). BSR acknowledges support from a Merck Postdoctoral Fellowship at The Rockefeller University. MLS acknowledges support from the University of Tennessee/Oak Ridge National Laboratory Joint Institute for Biological Sciences. AR acknowledges NSF CAREER 1350601 and NIH DP2OD008514. We acknowledge support from NIH awards R01AI109593 and DP2OD006677. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.; We thank Siddarth Dey, Jonathan Foley, David Schafer, and Adam Arkin for conductive discussions and contributing data towards this research. RDD was supported by an NIH NIAID Career Transition Award (AI120746). SMS acknowledges an NIH NIAID F30 Fellowship (1F30AI114475-01A1). BSR acknowledges support from a Merck Postdoctoral Fellowship at The Rockefeller University. MLS acknowledges support from the University of Tennessee/Oak Ridge National Laboratory Joint Institute for Biological Sciences. AR acknowledges NSF CAREER 1350601 and NIH DP2OD008514. We acknowledge support from NIH awards R01AI109593 and DP2OD006677. NR 12 TC 0 Z9 0 U1 7 U2 7 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 28 PY 2016 VL 11 IS 7 AR e0158298 DI 10.1371/journal.pone.0158298 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT5IL UT WOS:000381516100007 PM 27467384 ER PT J AU Xia, YZ Gao, YF Pharr, GM Bei, HB AF Xia, Yuzhi Gao, Yanfei Pharr, George M. Bei, Hongbin TI Single versus successive pop-in modes in nanoindentation tests of single crystals SO JOURNAL OF MATERIALS RESEARCH LA English DT Article DE nanoindentation; defects ID SMALL STRESSED VOLUMES; DISLOCATION NUCLEATION; INSTRUMENTED INDENTATION; SPHERICAL INDENTATION; ELASTIC-DEFORMATION; STOCHASTIC-MODEL; HARDNESS; SIMULATIONS; BEHAVIOR; PLASTICITY AB From recent nanoindentation experiments, two types of pop-in modes have been identified: a single pop-in with a large displacement excursion and a number of pop-ins with comparable and small displacement excursions. Theoretical analyses are developed here to study the roles played by indenter tip radius, pre-existing defect density, heterogeneous nucleation source type, and lattice resistance on the pop-in modes. The evolution of dislocation structures in earlier pop-ins provides input to modeling a stochastic, heterogeneous mechanism that may be responsible for the subsequent pop-ins. It is found that when the first pop-in occurs near theoretical shear stress, the pop-in mode is determined by the lattice resistance and tip radius. When the first pop-in occurs at low shear stress, whether the successive pop-in mode occurs depends on how the heterogeneous dislocation nucleation source density increases as compared to the increase of the total dislocation density. The above transitions are found to correlate well with the ratio of indenter tip radius to the mean spacing of dislocation nucleation sources. C1 [Xia, Yuzhi; Gao, Yanfei; Pharr, George M.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Gao, Yanfei; Pharr, George M.; Bei, Hongbin] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Xia, Yuzhi] 3M Co, St Paul, MN 55144 USA. RP Xia, YZ (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Xia, YZ (reprint author), 3M Co, St Paul, MN 55144 USA. EM yuzhi.peter.xia@gmail.com RI Gao, Yanfei/F-9034-2010; OI Gao, Yanfei/0000-0003-2082-857X; Bei, Hongbin/0000-0003-0283-7990 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; Joint Institute for Advanced Materials, University of Tennessee FX This work was sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (HB, GMP, YFG), and by a graduate fellowship from the Joint Institute for Advanced Materials, University of Tennessee (YZX). NR 40 TC 0 Z9 0 U1 10 U2 13 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 EI 2044-5326 J9 J MATER RES JI J. Mater. Res. PD JUL 28 PY 2016 VL 31 IS 14 BP 2065 EP 2075 DI 10.1557/jmr.2016.193 PG 11 WC Materials Science, Multidisciplinary SC Materials Science GA DU7FV UT WOS:000382379900009 ER PT J AU Genorio, B Staszak-Jirkovsky, J Assary, RS Connell, JG Strmcnik, D Diesendruck, CE Lopes, PP Stamenkovic, VR Moore, JS Curtiss, LA Markovic, NM AF Genorio, Bostjan Staszak-Jirkovsky, Jakub Assary, Rajeev S. Connell, Justin G. Strmcnik, Dusan Diesendruck, Charles E. Lopes, Pietro P. Stamenkovic, Vojislav R. Moore, Jeffrey S. Curtiss, Larry A. Markovic, Nenad M. TI Superoxide (Electro)Chemistry on Well-Defined Surfaces in Organic Environments SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID OXYGEN REDUCTION; APROTIC-SOLVENTS; AIR BATTERIES; PLATINUM; STABILITY; OXIDATION; DIOXYGEN; ION; DECOMPOSITION; REACTIVITY AB Efficient chemical transformations in energy conversion and storage systems depend on understanding superoxide anion (O-2(-)) electrochemistry at atomic and molecular levels. Here, a combination of experimental and theoretical techniques are used for rationalizing, and ultimately understanding, the complexity of superoxide anion (electro)-chemistry in organic environments. By exploring the O-2 + e(-) <-> O-2(-) reaction on well-characterized metal single crystals (Au, Pt, Ir), Pt single crystal modified with a single layer of graphene (Graphene@Pt(111)), and glassy carbon (GC) in 1,2 dimethoxyethane (DME) electrolytes, we demonstrate that (i) the reaction is an outer-sphere process; (ii) the reaction product O-2(-) can "attack" any part of the DME molecule, i.e., the C-O bond via nucleophilic reaction and the C-H bond via radical hydrogen abstraction; (iii) the adsorption of carbon based decomposition products and the extent of formation of a "solid electrolyte interface" ("SEI") increases in the same order as the reactivity of the substrate, i.e., Pt(hkl)/Ir(hkl) >> Au(hkl)/GC > Gaphene@Pt(111); and (iv) the formation of the "SEI" layer leads to irreversible superoxide electrochemistry on Pt(hkl) and Ir(hkl) surfaces. We believe this fundamental insight provides a pathway for the rational design of stable organic solvents that are urgently needed for the development of a new generation of reliable and affordable battery systems. C1 [Genorio, Bostjan; Staszak-Jirkovsky, Jakub; Assary, Rajeev S.; Connell, Justin G.; Strmcnik, Dusan; Lopes, Pietro P.; Stamenkovic, Vojislav R.; Curtiss, Larry A.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Genorio, Bostjan] Univ Ljubljana, Fac Chem & Chem Technol, SI-1000 Ljubljana, Slovenia. [Diesendruck, Charles E.; Moore, Jeffrey S.] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. RP Markovic, NM (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM nmmarkovic@anl.gov RI Lopes, Pietro/E-2724-2013; OI Lopes, Pietro/0000-0003-3211-470X; Diesendruck, Charles/0000-0001-5576-1366 FU Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Basic Energy Sciences; U.S. Department of Energy, Basic Energy Science, Materials Science and Engineering Division; [DE-AC02-06CH11357] FX This work was supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract no. DE-AC02-06CH11357. Work related to electrochemistry in aqueous solutions was supported by the U.S. Department of Energy, Basic Energy Science, Materials Science and Engineering Division. We gratefully acknowledge the computing resources provided on "Fusion," a 320-node computing cluster operated by the Laboratory Computing Resource Center at Argonne National Laboratory. NR 29 TC 2 Z9 2 U1 18 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 28 PY 2016 VL 120 IS 29 BP 15909 EP 15914 DI 10.1021/acs.jpcc.5b12230 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS4EX UT WOS:000380735300043 ER PT J AU Fang, Y Liu, F Klippenstein, SJ Lester, MI AF Fang, Yi Liu, Fang Klippenstein, Stephen J. Lester, Marsha I. TI Direct observation of unimolecular decay of CH3CH2CHOO Criegee intermediates to OH radical products SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID GAS-PHASE; TORCH CAMPAIGN; OZONE; DISSOCIATION; OZONOLYSIS; CHEMISTRY; HOX AB The unimolecular decay of carbonyl oxide intermediates, known as Criegee intermediates, produced in alkene ozonolysis is a significant source of OH radicals in the troposphere. Here, the rate of appearance of OH radical products is examined directly in the time-domain for a prototypical alkyl-substituted Criegee intermediate, CH3CH2CHOO, following vibrational activation under collision-free conditions. Complementary statistical Rice-Ramsperger-Kassel-Marcus calculations of the microcanonical unimolecular decay rate for CH3CH2CHOO are also carried out at energies in the vicinity of the barrier for 1,4 hydrogen atom transfer that leads to OH products. Tunneling through the barrier, derived from high level electronic structure calculations, contributes significantly to the decay rate. Infrared transitions of CH3CH2CHOO are identified in the CH stretch overtone region, which are detected by ultraviolet laser-induced fluorescence of the resultant OH products. The features observed are attributed to CH vibrational excitations and conformational forms utilizing insights from theory. Both experiment and theory yield unimolecular decay rates for CH3CH2CHOO of ca. 10(7) s(-1), which are slower than those obtained for syn-CH3CHOO or (CH3)(2)COO reported previously [Fang et al., J. Chem. Phys. 144, 061102 (2016)] at similar energies. Master equation modeling is also utilized to predict the thermal decay rate of CH3CH2CHOO under atmospheric conditions, giving a rate of 279 s(-1) at 298 K. Published by AIP Publishing. C1 [Fang, Yi; Liu, Fang; Lester, Marsha I.] Univ Penn, Dept Chem, Philadelphia, PA 19104 USA. [Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Lester, MI (reprint author), Univ Penn, Dept Chem, Philadelphia, PA 19104 USA. EM milester@sas.upenn.edu FU National Science Foundation [CHE-1362835]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences at Argonne [DE-AC02-06CH11357] FX This research was supported through the National Science Foundation under Grant No. CHE-1362835 (M.I.L.). This material is also based on work supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences at Argonne under Contract No. DE-AC02-06CH11357 (S.J.K.). NR 28 TC 4 Z9 4 U1 22 U2 31 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2016 VL 145 IS 4 AR 044312 DI 10.1063/1.4958992 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DT7PX UT WOS:000381679800027 PM 27475366 ER PT J AU Li, WL Kunin, A Matthews, E Yoshikawa, N Dessent, CEH Neumark, DM AF Li, Wei-Li Kunin, Alice Matthews, Edward Yoshikawa, Naruo Dessent, Caroline E. H. Neumark, Daniel M. TI Photodissociation dynamics of the iodide-uracil (I-U) complex SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DISSOCIATIVE ELECTRON-ATTACHMENT; DNA-STRAND BREAKS; BOUND EXCITED-STATES; RNA BASES; PHOTOELECTRON-SPECTROSCOPY; RELAXATION DYNAMICS; WATER CLUSTERS; BASIS-SETS; GAS-PHASE; ANIONS AB Photofragment action spectroscopy and femtosecond time-resolved photoelectron imaging are utilized to probe the dissociation channels in iodide-uracil (I-center dot U) binary clusters upon photoexcitation. The photofragment action spectra show strong I- and weak [U-H](-) ion signal upon photoexcitation. The action spectra show two bands for I- and [U-H](-) production peaking around 4.0 and 4.8 eV. Time-resolved experiments measured the rate of I- production resulting from excitation of the two bands. At 4.03 eV and 4.72 eV, the photoelectron signal from I- exhibits rise times of 86 +/- 7 ps and 36 +/- 3 ps, respectively. Electronic structure calculations indicate that the lower energy band, which encompasses the vertical detachment energy (4.11 eV) of I-U, corresponds to excitation of a dipole-bound state of the complex, while the higher energy band is primarily a pi-pi* excitation on the uracil moiety. Although the nature of the two excited states is very different, the long lifetimes for I- production suggest that this channel results from internal conversion to the I-center dot U ground state followed by evaporation of I-. This hypothesis was tested by comparing the dissociation rates to Rice-Ramsperger-Kassel-Marcus calculations. Published by AIP Publishing. C1 [Li, Wei-Li; Kunin, Alice; Neumark, Daniel M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Matthews, Edward; Yoshikawa, Naruo; Dessent, Caroline E. H.] Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England. [Neumark, Daniel M.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Neumark, DM (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Dessent, CEH (reprint author), Univ York, Dept Chem, York YO10 5DD, N Yorkshire, England.; Neumark, DM (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM caroline.dessent@york.ac.uk; dneumark@berkeley.edu RI Neumark, Daniel/B-9551-2009; OI Neumark, Daniel/0000-0002-3762-9473; Kunin, Alice/0000-0002-3002-8317 FU National Science Foundation [CHE-1361412]; DoD; Air Force Office of Scientific Research; National Defense Science and Engineering Graduate (NDSEG) Fellowship [32 CFR 168a]; European Research Council [208589-BIOIONS]; STFC; EPSRC Laser Loan Pool [13250030]; University of York; Department of Chemistry at the University of York FX The work described in this paper was funded by the National Science Foundation under Grant No. CHE-1361412. A.K. gratefully acknowledges that this research was conducted with government support under and awarded by DoD, Air Force Office of Scientific Research, National Defense Science and Engineering Graduate (NDSEG) Fellowship, 32 CFR 168a. C.E.H.D. acknowledges support from the European Research Council Grant No. 208589-BIOIONS, the STFC for the provision of equipment from the EPSRC Laser Loan Pool (Grant No. 13250030), and the University of York and Department of Chemistry at the University of York for provision of funds for the Horizon OPO laser system. NR 54 TC 1 Z9 1 U1 10 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2016 VL 145 IS 4 AR 044319 DI 10.1063/1.4959858 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DT7PX UT WOS:000381679800034 PM 27475373 ER PT J AU Li, Z Bian, X Yang, X Karniadakis, GE AF Li, Zhen Bian, Xin Yang, Xiu Karniadakis, George Em TI A comparative study of coarse-graining methods for polymeric fluids: Mori-Zwanzig vs. iterative Boltzmann inversion vs. stochastic parametric optimization SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DISSIPATIVE PARTICLE DYNAMICS; DIFFERENTIAL-EQUATIONS; SIMULATION; POTENTIALS; BIOLOGY; THEOREM; MOTION; MELTS AB We construct effective coarse-grained (CG) models for polymeric fluids by employing two coarse-graining strategies. The first one is a forward-coarse-graining procedure by the Mori-Zwanzig (MZ) projection while the other one applies a reverse-coarse-graining procedure, such as the iterative Boltzmann inversion (IBI) and the stochastic parametric optimization (SPO). More specifically, we perform molecular dynamics (MD) simulations of star polymer melts to provide the atomistic fields to be coarse-grained. Each molecule of a star polymer with internal degrees of freedom is coarsened into a single CG particle and the effective interactions between CG particles can be either evaluated directly from microscopic dynamics based on the MZ formalism, or obtained by the reverse methods, i.e., IBI and SPO. The forward procedure has no free parameters to tune and recovers the MD system faithfully. For the reverse procedure, we find that the parameters in CG models cannot be selected arbitrarily. If the free parameters are properly defined, the reverse CG procedure also yields an accurate effective potential. Moreover, we explain how an aggressive coarse-graining procedure introduces the many-body effect, which makes the pairwise potential invalid for the same system at densities away from the training point. From this work, general guidelines for coarse-graining of polymeric fluids can be drawn. Published by AIP Publishing. C1 [Li, Zhen; Bian, Xin; Karniadakis, George Em] Brown Univ, Div Appl Math, Providence, RI 02912 USA. [Yang, Xiu] Pacific Northwest Natl Lab, Richland, WA 99352 USA. RP Karniadakis, GE (reprint author), Brown Univ, Div Appl Math, Providence, RI 02912 USA. EM george_karniadakis@brown.edu RI Li, Zhen/B-2722-2013; Bian, Xin/N-2596-2014 OI Li, Zhen/0000-0002-0936-6928; Bian, Xin/0000-0002-7641-4715 FU DOE Center on Mathematics for Mesoscopic Modeling of Materials [CM4]; U.S. Army Research Laboratory; Argonne Leadership Computing Facility, DOE Office of Science User Facility [DE-AC05-00OR22725, DE-AC02-06CH11357]; [W911NF-12-2-0023] FX We acknowledge support from the DOE Center on Mathematics for Mesoscopic Modeling of Materials (CM4). This work was also sponsored by the U.S. Army Research Laboratory and was accomplished under Cooperative Agreement No. W911NF-12-2-0023. An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract No. DE-AC02-06CH11357. This research also used resources of the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract No. DE-AC05-00OR22725. Z. Li would like to thank Professor Bruce Caswell and Dr. Xuejin Li for helpful discussions. NR 54 TC 2 Z9 2 U1 4 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2016 VL 145 IS 4 AR 044102 DI 10.1063/1.4959121 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DT7PX UT WOS:000381679800004 PM 27475343 ER PT J AU Mao, YZ Horn, PR Mardirossian, N Head-Gordon, T Skylaris, CK Head-Gordon, M AF Mao, Yuezhi Horn, Paul R. Mardirossian, Narbe Head-Gordon, Teresa Skylaris, Chris-Kriton Head-Gordon, Martin TI Approaching the basis set limit for DFT calculations using an environment-adapted minimal basis with perturbation theory: Formulation, proof of concept, and a pilot implementation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; CONSISTENT BASIS-SETS; GENERALIZED-GRADIENT-APPROXIMATION; POLARIZED ATOMIC ORBITALS; GAUSSIAN-BASIS SETS; DUAL BASIS-SETS; CORRELATED MOLECULAR CALCULATIONS; ELECTRONIC-STRUCTURE CALCULATIONS; FAST MULTIPOLE METHOD; AUXILIARY BASIS-SETS AB Recently developed density functionals have good accuracy for both thermochemistry (TC) and non-covalent interactions (NC) if very large atomic orbital basis sets are used. To approach the basis set limit with potentially lower computational cost, a new self-consistent field (SCF) scheme is presented that employs minimal adaptive basis (MAB) functions. The MAB functions are optimized on each atomic site by minimizing a surrogate function. High accuracy is obtained by applying a perturbative correction (PC) to the MAB calculation, similar to dual basis approaches. Compared to exact SCF results, using this MAB-SCF (PC) approach with the same large target basis set produces <0.15 kcal/mol root-mean-square deviations for most of the tested TC datasets, and <0.1 kcal/mol for most of the NC datasets. The performance of density functionals near the basis set limit can be even better reproduced. With further improvement to its implementation, MAB-SCF (PC) is a promising lower-cost substitute for conventional large-basis calculations as a method to approach the basis set limit of modern density functionals. Published by AIP Publishing. C1 [Mao, Yuezhi; Horn, Paul R.; Mardirossian, Narbe; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. [Head-Gordon, Teresa] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Head-Gordon, Teresa] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Head-Gordon, Teresa] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Head-Gordon, Teresa; Head-Gordon, Martin] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Skylaris, Chris-Kriton] Univ Southampton, Sch Chem, Southampton SO17 1BJ, Hants, England. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA.; Head-Gordon, M (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU U.S. National Science Foundation [CHE-1363320]; EPSRC [EP/K039156/1] FX This work was supported by Grant No. CHE-1363320 from the U.S. National Science Foundation. C.K.S. would like to acknowledge support from EPSRC Grant No. EP/K039156/1. NR 138 TC 1 Z9 1 U1 7 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2016 VL 145 IS 4 AR 044109 DI 10.1063/1.4959125 PG 17 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DT7PX UT WOS:000381679800011 PM 27475350 ER PT J AU Ting, CL Sorensen-Unruh, KE Stevens, MJ Frischknecht, AL AF Ting, Christina L. Sorensen-Unruh, Karen E. Stevens, Mark J. Frischknecht, Amalie L. TI Nonequilibrium simulations of model ionomers in an oscillating electric field SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SULFONATED POLYSTYRENE IONOMERS; MOLECULAR-DYNAMICS SIMULATIONS; MOBILE ION CONCENTRATION; MOLTEN SODIUM-CHLORIDE; DIELECTRIC-SPECTROSCOPY; COMPUTER-SIMULATION; MELTS; CONDUCTIVITY; COPOLYMERS; MORPHOLOGY AB We perform molecular dynamics simulations of a coarse-grained model of ionomer melts in an applied oscillating electric field. The frequency-dependent conductivity and susceptibility are calculated directly from the current density and polarization density, respectively. At high frequencies, we find a peak in the real part of the conductivity due to plasma oscillations of the ions. At lower frequencies, the dynamic response of the ionomers depends on the ionic aggregate morphology in the system, which consists of either percolated or isolated aggregates. We show that the dynamic response of the model ionomers to the applied oscillating field can be understood by comparison with relevant time scales in the systems, obtained from independent calculations. Published by AIP Publishing. C1 [Ting, Christina L.; Sorensen-Unruh, Karen E.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Stevens, Mark J.; Frischknecht, Amalie L.] Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. RP Stevens, MJ (reprint author), Sandia Natl Labs, Ctr Integrated Nanotechnol, POB 5800, Albuquerque, NM 87185 USA. EM msteve@sandia.gov; alfrisc@sandia.gov RI Frischknecht, Amalie/N-1020-2014 OI Frischknecht, Amalie/0000-0003-2112-2587 FU Harry S. Truman Fellowship in National Security Science and Engineering - Sandia LDRD program; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank James Runt (Penn State) for helpful discussions. C.L.T. is thankful for support from the Harry S. Truman Fellowship in National Security Science and Engineering, funded by the Sandia LDRD program. This work was performed, in part, at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multi-program laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 37 TC 0 Z9 0 U1 3 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD JUL 28 PY 2016 VL 145 IS 4 AR 044902 DI 10.1063/1.4959120 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DT7PX UT WOS:000381679800053 PM 27475392 ER PT J AU Guo, MY Kallman, E Sorensen, LK Delcey, MG Pinjari, RV Lundberg, M AF Guo, Meiyuan Kallman, Erik Sorensen, Lasse Kragh Delcey, Mickael G. Pinjari, Rahul V. Lundberg, Marcus TI Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID CHARGE-TRANSFER EXCITATIONS; AB-INITIO CALCULATIONS; L-EDGE XAS; PRE-EDGE; FLUORESCENCE SPECTROSCOPY; ABSORPTION SPECTROSCOPY; PERTURBATION-THEORY; RAMAN-SCATTERING; IRON COMPLEXES; MULTIPLET AB For first-row transition metals, high-resolution 3d electronic structure information can be obtained using resonant inelastic X-ray scattering (RIXS). In the hard X-ray region, a K pre-edge (1s -> 3d) excitation can be followed by monitoring the dipole-allowed K alpha (2p -> 1s) or K beta (3p -> 1s) emission, processes labeled 1s2p or 1s3p RIXS. Here the restricted active space (RAS) approach, which is a molecular orbital method, is used for the first time to study hard X-ray RIXS processes. This is achieved by including the two sets of core orbitals in different partitions of the active space. Transition intensities are calculated using both first- and second-order expansions of the wave vector, including, but not limited to, electric dipoles and quadrupoles. The accuracy of the approach is tested for 1s2p RIXS of iron hexacyanides [Fe(CN)(6)](n-) in ferrous and ferric oxidation states. RAS simulations accurately describe the multiplet structures and the role of 2p and 3d spin-orbit coupling on energies and selection rules. Compared to experiment, relative energies of the two [Fe(CN)(6)](3-) resonances deviate by 0.2 eV in both incident energy and energy transfer directions, and multiplet splittings in [Fe(CN)(6)](4-) are reproduced within 0.1 eV. These values are similar to what can be expected for valence excitations. The development opens the modeling of hard X-ray scattering processes for both solution catalysts and enzymatic systems. C1 [Guo, Meiyuan; Kallman, Erik; Sorensen, Lasse Kragh; Delcey, Mickael G.; Pinjari, Rahul V.; Lundberg, Marcus] Uppsala Univ, Dept Chem, Angstrom Lab, Box 538, SE-75121 Uppsala, Sweden. [Delcey, Mickael G.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Delcey, Mickael G.] Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Dept Chem, Berkeley, CA 94720 USA. [Pinjari, Rahul V.] Swami Ramanand Teerth Marathwada Univ, Sch Chem Sci, Nanded 431606, Maharashtra, India. RP Lundberg, M (reprint author), Uppsala Univ, Dept Chem, Angstrom Lab, Box 538, SE-75121 Uppsala, Sweden. EM marcus.lundberg@kemi.uu.se FU Marcus and Amalia Wallenberg Foundation; Swedish Research Council; Knut and Alice Wallenberg Foundation [KAW-2013.0020] FX We acknowledge financial support from the Marcus and Amalia Wallenberg Foundation, the Swedish Research Council, and the Knut and Alice Wallenberg Foundation (Grant No. KAW-2013.0020). The computations were performed on resources provided by SNIC through Uppsala Multidisciplinary Center for Advanced Computational Science (UPPMAX) and the National Supercomputer Centre at Linkoping University (Triolith). NR 53 TC 0 Z9 0 U1 8 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 28 PY 2016 VL 120 IS 29 BP 5848 EP 5855 DI 10.1021/acs.jpca.6b05139 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DS4DA UT WOS:000380730400008 PM 27398775 ER PT J AU Cheng, CT Chan, MN Wilson, KR AF Cheng, Chiu Tung Chan, Man Nin Wilson, Kevin R. TI Importance of Unimolecular HO2 Elimination in the Heterogeneous OH Reaction of Highly Oxygenated Tartaric Acid Aerosol SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID SITU CHEMICAL-CHARACTERIZATION; TIME-MASS-SPECTROMETRY; ORGANIC AEROSOL; ALKOXY RADICALS; VAPOR-PRESSURES; DICARBOXYLIC-ACIDS; AQUEOUS-SOLUTION; RATE CONSTANTS; ION-SOURCE; OXIDATION AB Oxygenated organic molecules are abundant in atmospheric aerosols and are transformed by oxidation reactions near the aerosol surface by gas-phase oxidants such as hydroxyl (OH) radicals. To gain better insights into how the structure of an organic molecule, particularly in the presence of hydroxyl groups, controls the heterogeneous reaction mechanisms of oxygenated organic compounds, this study investigates the OH-radical initiated oxidation of aqueous tartaric acid (C4H6O6) droplets using an aerosol flow tube reactor. The molecular composition of the aerosols before and after reaction is characterized by a soft atmospheric pressure ionization source (Direct Analysis in Real Time) coupled with a high-resolution mass spectrometer. The aerosol mass spectra reveal that four major reaction products are formed: a single C-4 functionalization product (C4H4O6) and three C-3 fragmentation products (C3H4O4, C3H2O4, and C3H2O5). The C-4 functionalization product does not appear to originate from peroxy radical self-reactions but instead forms via an alpha-hydroxylperoxy radical produced by a hydrogen atom abstraction by OH at the tertiary carbon site. The proximity of a hydroxyl group to peroxy group enhances the unimolecular HO2 elimination from the a-hydroxylperoxy intermediate. This alcohol-to-ketone conversion yields 2-hydroxy-3-oxosuccinic acid (C4H4O6), the major reaction product. While in general, C-C bond scission reactions are expected to dominate the chemistry of organic compounds with high average carbon oxidation states (OSC), our results show that molecular structure can play a larger role in the heterogeneous transformation of tartaric acid (OSC = 1.5). These results are also compared with two structurally related dicarboxylic acids (succinic acid and 2,3-dimethylsuccinic acid) to elucidate how the identity and location of functional groups (methyl and hydroxyl groups) alter heterogeneous reaction mechanisms. C1 [Cheng, Chiu Tung; Chan, Man Nin] Chinese Univ Hong Kong, Earth Syst Sci Programme, Fac Sci, Hong Kong, Hong Kong, Peoples R China. [Chan, Man Nin] Chinese Univ Hong Kong, Inst Environm Energy & Sustainabil, Hong Kong, Hong Kong, Peoples R China. [Wilson, Kevin R.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Chan, MN (reprint author), Chinese Univ Hong Kong, Earth Syst Sci Programme, Fac Sci, Hong Kong, Hong Kong, Peoples R China.; Chan, MN (reprint author), Chinese Univ Hong Kong, Inst Environm Energy & Sustainabil, Hong Kong, Hong Kong, Peoples R China.; Wilson, KR (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM mnchan@cuhk.edu.hk; krwilson@lbl.gov FU Chinese University of Hong Kong [4053089, 3132765]; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division of the U.S. Department of Energy [DE-AC02-05CH11231]; Department of Energy, Office of Science Early Career Award FX C.T.C. and M.N.C. are supported by a Direct Grant for Research (4053089) and One-Time Funding Allocation of Direct Grant (3132765), The Chinese University of Hong Kong. K.R.W. and the experimental research facilities are supported by the Department of Energy, Office of Science Early Career Award, and the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 49 TC 2 Z9 2 U1 7 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD JUL 28 PY 2016 VL 120 IS 29 BP 5887 EP 5896 DI 10.1021/acs.jpca.6b05289 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DS4DA UT WOS:000380730400012 PM 27397411 ER PT J AU Liu, JY Hu, J Cao, HB Zhu, YL Chuang, A Graf, D Adams, DJ Radmanesh, SMA Spinu, L Chiorescu, I Mao, ZQ AF Liu, Jinyu Hu, Jin Cao, Huibo Zhu, Yanglin Chuang, Alyssa Graf, D. Adams, D. J. Radmanesh, S. M. A. Spinu, L. Chiorescu, I. Mao, Zhiqiang TI Nearly massless Dirac fermions hosted by Sb square net in BaMnSb2 SO SCIENTIFIC REPORTS LA English DT Article ID RESOLVED PHOTOEMISSION-SPECTROSCOPY; CRYSTAL-STRUCTURE; SEMIMETAL CD3AS2; ARCS; DISCOVERY; SRMNBI2; CAMNBI2; PHASE; TAAS; NODE AB Layered compounds AMnBi(2) (A = Ca, Sr, Ba, or rare earth element) have been established as Dirac materials. Dirac electrons generated by the two-dimensional (2D) Bi square net in these materials are normally massive due to the presence of a spin-orbital coupling (SOC) induced gap at Dirac nodes. Here we report that the Sb square net in an isostructural compound BaMnSb2 can host nearly massless Dirac fermions. We observed strong Shubnikov-de Haas (SdH) oscillations in this material. From the analyses of the SdH oscillations, we find key signatures of Dirac fermions, including light effective mass (similar to 0.052m(0); m(0), mass of free electron), high quantum mobility (1280 cm(2)V(-1)S(-1)) and a pi Berry phase accumulated along cyclotron orbit. Compared with AMnBi(2), BaMnSb2 also exhibits much more significant quasi two-dimensional (2D) electronic structure, with the out-of-plane transport showing nonmetallic conduction below 120 K and the ratio of the out-of-plane and in-plane resistivity reaching similar to 670. Additionally, BaMnSb2 also exhibits a G-type antiferromagnetic order below 283 K. The combination of nearly massless Dirac fermions on quasi-2D planes with a magnetic order makes BaMnSb2 an intriguing platform for seeking novel exotic phenomena of massless Dirac electrons. C1 [Liu, Jinyu; Hu, Jin; Zhu, Yanglin; Chuang, Alyssa; Mao, Zhiqiang] Tulane Univ, Dept Phys & Engn Phys, New Orleans, LA 70018 USA. [Cao, Huibo] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Tallahassee, TN 37830 USA. [Graf, D.; Chiorescu, I.] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Adams, D. J.; Radmanesh, S. M. A.; Spinu, L.] Univ New Orleans, Dept Phys, New Orleans, LA 70148 USA. [Adams, D. J.; Radmanesh, S. M. A.; Spinu, L.] Univ New Orleans, Adv Mat Res Inst, New Orleans, LA 70148 USA. [Chiorescu, I.] Florida State Univ, Dept Phys, Tallahassee, FL 32306 USA. RP Mao, ZQ (reprint author), Tulane Univ, Dept Phys & Engn Phys, New Orleans, LA 70018 USA. EM zmao@tulane.edu FU U.S. Department of Energy under EPSCoR [DE-SC0012432]; Louisiana Board of Regents; National Science Foundation [DMR-1157490]; State of Florida; Scientific User Facilities Division, Office of Science, Basic Energy Sciences, U.S. Department of Energy FX The work at Tulane is supported by the U.S. Department of Energy under EPSCoR Grant No. DE-SC0012432 with additional support from the Louisiana Board of Regents (support for a graduate student, materials, travel to NHMFL). The work at NHMFL is supported by National Science Foundation Cooperative Agreement No. DMR-1157490 and the State of Florida (high field measurements). The work at ORNL HFIR was sponsored by the Scientific User Facilities Division, Office of Science, Basic Energy Sciences, U.S. Department of Energy. NR 54 TC 1 Z9 1 U1 31 U2 42 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 28 PY 2016 VL 6 AR 30525 DI 10.1038/srep30525 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS7LD UT WOS:000380964100001 PM 27466151 ER PT J AU Azad, A Rajwa, B Pothen, A AF Azad, Ariful Rajwa, Bartek Pothen, Alex TI flowVS: channel-specific variance stabilization in flow cytometry SO BMC BIOINFORMATICS LA English DT Article DE Variance stabilization; Flow cytometry; Bartlett's test; Microarrays ID TRANSFORMATIONS; NORMALIZATION; MODEL; IDENTIFICATION; MICROARRAY; PATTERNS; DISPLAY; SYSTEM AB Background: Comparing phenotypes of heterogeneous cell populations from multiple biological conditions is at the heart of scientific discovery based on flow cytometry (FC). When the biological signal is measured by the average expression of a biomarker, standard statistical methods require that variance be approximately stabilized in populations to be compared. Since the mean and variance of a cell population are often correlated in fluorescence-based FC measurements, a preprocessing step is needed to stabilize the within-population variances. Results: We present a variance-stabilization algorithm, called flowVS, that removes the mean-variance correlations from cell populations identified in each fluorescence channel. flowVS transforms each channel from all samples of a data set by the inverse hyperbolic sine (asinh) transformation. For each channel, the parameters of the transformation are optimally selected by Bartlett's likelihood-ratio test so that the populations attain homogeneous variances. The optimum parameters are then used to transform the corresponding channels in every sample. flowVS is therefore an explicit variance-stabilization method that stabilizes within-population variances in each channel by evaluating the homoskedasticity of clusters with a likelihood-ratio test. With two publicly available datasets, we show that flowVS removes the mean-variance dependence from raw FC data and makes the within-population variance relatively homogeneous. We demonstrate that alternative transformation techniques such as flowTrans, flowScape, logicle, and FCSTrans might not stabilize variance. Besides flow cytometry, flowVS can also be applied to stabilize variance in microarray data. With a publicly available data set we demonstrate that flowVS performs as well as the VSN software, a state-of-the-art approach developed for microarrays. Conclusions: The homogeneity of variance in cell populations across FC samples is desirable when extracting features uniformly and comparing cell populations with different levels of marker expressions. The newly developed flowVS algorithm solves the variance-stabilization problem in FC and microarrays by optimally transforming data with the help of Bartlett's likelihood-ratio test. On two publicly available FC datasets, flowVS stabilizes within-population variances more evenly than the available transformation and normalization techniques. flowVS-based variance stabilization can help in performing comparison and alignment of phenotypically identical cell populations across different samples. flowVS and the datasets used in this paper are publicly available in Bioconductor. C1 [Azad, Ariful] Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Rajwa, Bartek] Purdue Univ, Bindley Biosci Ctr, W Lafayette, IN 47907 USA. [Pothen, Alex] Purdue Univ, Dept Comp Sci, W Lafayette, IN 47907 USA. RP Azad, A (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM azad@lbl.gov RI Rajwa, Bartek/B-3169-2009; OI Rajwa, Bartek/0000-0001-7540-8236; Pothen, Alex/0000-0002-3421-3325 FU US Department of Energy [DE-FG02-13ER26135, DE-AC02-05CH11231]; National Science Foundation [CCF-1218916]; National Institute of Biomedical Imaging and Bioengineering (NIBIB) [5R21FB015707]; IBM Fellowship FX This work is supported in part by the US Department of Energy (DE-FG02-13ER26135 and DE-AC02-05CH11231), the National Science Foundation (CCF-1218916), the National Institute of Biomedical Imaging and Bioengineering (NIBIB) under Grant Number 5R21FB015707, and an IBM Fellowship. NR 47 TC 2 Z9 2 U1 2 U2 6 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD JUL 28 PY 2016 VL 17 AR 291 DI 10.1186/s12859-016-1083-9 PG 14 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA DS1CD UT WOS:000380332500001 PM 27465477 ER PT J AU Seol, D Park, S Varenyk, OV Lee, S Lee, HN Morozovska, AN Kim, Y AF Seol, Daehee Park, Seongjae Varenyk, Olexandr V. Lee, Shinbuhm Lee, Ho Nyung Morozovska, Anna N. Kim, Yunseok TI Determination of ferroelectric contributions to electromechanical response by frequency dependent piezoresponse force microscopy SO Scientific Reports LA English DT Article ID THIN-FILMS; NANOSCALE; NANOCAPACITORS; POLARIZATION; SPECTROSCOPY; TEMPERATURE; CERAMICS; DENSITY; FUTURE AB Hysteresis loop analysis via piezoresponse force microscopy (PFM) is typically performed to probe the existence of ferroelectricity at the nanoscale. However, such an approach is rather complex in accurately determining the pure contribution of ferroelectricity to the PFM. Here, we suggest a facile method to discriminate the ferroelectric effect from the electromechanical (EM) response through the use of frequency dependent ac amplitude sweep with combination of hysteresis loops in PFM. Our combined study through experimental and theoretical approaches verifies that this method can be used as a new tool to differentiate the ferroelectric effect from the other factors that contribute to the EM response. C1 [Seol, Daehee; Park, Seongjae; Kim, Yunseok] Sungkyunkwan Univ SKKU, Sch Adv Mat Sci & Engn, Suwon 440746, South Korea. [Varenyk, Olexandr V.; Morozovska, Anna N.] Natl Acad Sci Ukraine, Inst Phys, 46 Pr Nauki, UA-03028 Kiev, Ukraine. [Lee, Shinbuhm; Lee, Ho Nyung] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Kim, Y (reprint author), Sungkyunkwan Univ SKKU, Sch Adv Mat Sci & Engn, Suwon 440746, South Korea. EM yunseokkim@skku.edu RI Lee, Ho Nyung/K-2820-2012; LEE, SHINBUHM/A-9494-2011 OI Lee, Ho Nyung/0000-0002-2180-3975; LEE, SHINBUHM/0000-0002-4907-7362 FU National Research Foundation of Korea (NRF) - Ministry of Science, ICT & Future Planning [NRF-2014R1A1A1008061, NRF-2014R1A4A1008474]; National Academy of Sciences of Ukraine [35-02-15, 07-06-15] FX This work was supported the Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (NRF-2014R1A1A1008061 and NRF-2014R1A4A1008474). O.V.V. and A.N.M. acknowledge National Academy of Sciences of Ukraine (grants 35-02-15 and 07-06-15). The synthesis of ferroelectric films was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. NR 49 TC 2 Z9 2 U1 6 U2 9 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 28 PY 2016 VL 6 AR 30579 DI 10.1038/srep30579 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS7QF UT WOS:000380977300001 PM 27466086 ER PT J AU Zhang, H Liu, T Zhang, Z Payne, SH Zhang, B McDermott, JE Zhou, JY Petyuk, VA Chen, L Ray, D Sun, SS Yang, F Chen, LJ Wang, J Shah, P Cha, SW Aiyetan, P Woo, S Tian, Y Gritsenko, MA Clauss, TR Choi, C Monroe, ME Thomas, S Nie, S Wu, CC Moore, RJ Yu, KH Tabb, DL Fenyo, D Bafna, V Wang, Y Rodriguez, H Boja, ES Hiltke, T Rivers, RC Sokoll, L Zhu, H Shih, IM Cope, L Pandey, A Zhang, B Snyder, MP Levine, DA Smith, RD Chan, DW Rodland, KD AF Zhang, Hui Liu, Tao Zhang, Zhen Payne, Samuel H. Zhang, Bai McDermott, Jason E. Zhou, Jian-Ying Petyuk, Vladislav A. Chen, Li Ray, Debjit Sun, Shisheng Yang, Feng Chen, Lijun Wang, Jing Shah, Punit Cha, Seong Won Aiyetan, Paul Woo, Sunghee Tian, Yuan Gritsenko, Marina A. Clauss, Therese R. Choi, Caitlin Monroe, Matthew E. Thomas, Stefani Nie, Song Wu, Chaochao Moore, Ronald J. Yu, Kun-Hsing Tabb, David L. Fenyo, David Bafna, Vineet Wang, Yue Rodriguez, Henry Boja, Emily S. Hiltke, Tara Rivers, Robert C. Sokoll, Lori Zhu, Heng Shih, Ie-Ming Cope, Leslie Pandey, Akhilesh Zhang, Bing Snyder, Michael P. Levine, Douglas A. Smith, Richard D. Chan, Daniel W. Rodland, Karin D. CA CPTAC Investigators TI Integrated Proteogenomic Characterization of Human High-Grade Serous Ovarian Cancer SO CELL LA English DT Article ID EPITHELIAL OVARIAN; PHASE-II; HOMOLOGOUS RECOMBINATION; HISTONE DEACETYLASE; PROTEIN EXPRESSION; NETWORK ANALYSIS; NEXT-GENERATION; CARCINOMA; TUMORS; REPAIR AB To provide a detailed analysis of the molecular components and underlying mechanisms associated with ovarian cancer, we performed a comprehensive mass-spectrometry-based proteomic characterization of 174 ovarian tumors previously analyzed by The Cancer Genome Atlas (TCGA), of which 169 were high-grade serous carcinomas (HGSCs). Integrating our proteomic measurements with the genomic data yielded a number of insights into disease, such as how different copy-number alternations influence the proteome, the proteins associated with chromosomal instability, the sets of signaling pathways that diverse genome rearrangements converge on, and the ones most associated with short overall survival. Specific protein acetylations associated with homologous recombination deficiency suggest a potential means for stratifying patients for therapy. In addition to providing a valuable resource, these findings provide a view of how the somatic genome drives the cancer proteome and associations between protein and post-translational modification levels and clinical outcomes in HGSC. C1 [Zhang, Hui; Zhang, Zhen; Zhang, Bai; Zhou, Jian-Ying; Chen, Li; Sun, Shisheng; Chen, Lijun; Shah, Punit; Aiyetan, Paul; Tian, Yuan; Choi, Caitlin; Thomas, Stefani; Sokoll, Lori; Zhu, Heng; Chan, Daniel W.] Johns Hopkins Med Inst, Dept Pathol, Baltimore, MD 21231 USA. [Liu, Tao; Payne, Samuel H.; McDermott, Jason E.; Petyuk, Vladislav A.; Ray, Debjit; Yang, Feng; Gritsenko, Marina A.; Clauss, Therese R.; Monroe, Matthew E.; Nie, Song; Wu, Chaochao; Moore, Ronald J.; Smith, Richard D.; Rodland, Karin D.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Wang, Jing; Tabb, David L.; Zhang, Bing] Vanderbilt Univ, Dept Biomed Informat, Sch Med, Nashville, TN 37203 USA. [Cha, Seong Won; Woo, Sunghee] Univ Calif San Diego, Dept Elect & Comp Engn, San Diego, CA 92093 USA. [Yu, Kun-Hsing] Stanford Univ, Biomed Informat Training Program, Sch Med, Stanford, CA 94305 USA. [Yu, Kun-Hsing; Snyder, Michael P.] Stanford Univ, Dept Genet, Sch Med, Stanford, CA 94305 USA. [Fenyo, David] NYU, Sch Med, Ctr Hlth Informat & Bioinformat, New York, NY 10016 USA. [Fenyo, David] NYU, Sch Med, Dept Biochem & Mol Pharmacol, New York, NY 10016 USA. [Bafna, Vineet] Univ Calif San Diego, Dept Comp Sci & Engn, San Diego, CA 92093 USA. [Wang, Yue] Virginia Polytech Inst & State Univ, Bradley Dept Elect & Comp Engn, Arlington, VA 22203 USA. [Rodriguez, Henry; Boja, Emily S.; Hiltke, Tara; Rivers, Robert C.] NCI, Off Canc Clin Prote Res, Bethesda, MD 20892 USA. [Shih, Ie-Ming] Johns Hopkins Med Inst, Dept Gynecol & Obstet, Baltimore, MD 21231 USA. [Cope, Leslie] Johns Hopkins Med Inst, Dept Oncol, Baltimore, MD 21231 USA. [Pandey, Akhilesh] Johns Hopkins Med Inst, McKusick Nathans Inst Genet Med, Baltimore, MD 21287 USA. [Levine, Douglas A.] NYU, Laura & Isaac Perlmutter Canc Ctr, Dept Gynecol Oncol, Langone Med Ctr, New York, NY 10016 USA. RP Chan, DW (reprint author), Johns Hopkins Med Inst, Dept Pathol, Baltimore, MD 21231 USA.; Rodland, KD (reprint author), Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA. EM dchan@jhmi.edu; karin.rodland@pnnl.gov RI Smith, Richard/J-3664-2012; OI Smith, Richard/0000-0002-2381-2349; Fenyo, David/0000-0001-5049-3825 FU National Cancer Institute (NCI) [U24CA160019, U24CA160036]; NIH [P41GM103493]; DOE [DE-AC05-76RL01830] FX This work was supported by National Cancer Institute (NCI) CPTAC awards U24CA160019 and U24CA160036 and by NIH grant P41GM103493. The PNNL proteomics work described herein was performed in the Environmental Molecular Sciences Laboratory, a U.S. Department of Energy (DOE) National Scientific User Facility located at PNNL in Richland, WA. PNNL is a multi-program national laboratory operated by the Battelle Memorial Institute for the DOE under contract DE-AC05-76RL01830. Genomics data for this study were generated by the TCGA Pilot Project, established by the NCI and the National Human Genome Research Institute. NR 44 TC 21 Z9 21 U1 15 U2 19 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0092-8674 EI 1097-4172 J9 CELL JI Cell PD JUL 28 PY 2016 VL 166 IS 3 BP 755 EP 765 DI 10.1016/j.cell.2016.05.069 PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA DS2ED UT WOS:000380546500024 PM 27372738 ER PT J AU Hou, GL Li, LJ Li, SH Sun, ZM Gao, X Wang, XB AF Hou, Gao-Lei Li, Lei-Jiao Li, Shu-Hui Sun, Zhong-Ming Gao, Xiang Wang, Xue-Bin TI Regioisomer-specific electron affinities and electronic structures of C-70 para-adducts at polar and equatorial positions with (bromo) benzyl radicals: photoelectron spectroscopy and theoretical study SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID OPEN-CIRCUIT VOLTAGE; PLASTIC SOLAR-CELLS; ORGANIC PHOTOVOLTAICS; DERIVATIVES; FULLERENES; EFFICIENCY; C-60(-); ORIGIN; ANIONS AB Negative ion photoelectron spectroscopy shows interesting regioisomer-specific electron affinities (EAs) of 2,5- and 7,23-para-adducts of C-70 [(ArCH2)(2)C-70] (Ar = Ph, o=, m=, and p-BrC6H4). Their EA values are larger than that of C-70 by 5-150 meV with the 2,5-polar adducts' EAs being higher than their corresponding 7,23-equatorial counterparts, exhibiting appreciable EA tunable ranges and regioisomeric specificity. Density functional theory (DFT) calculations reproduce both the experimental EA values and EA trends very well. C1 [Hou, Gao-Lei; Wang, Xue-Bin] Pacific Northwest Natl Lab, Div Phys Sci, 902 Battelle Blvd,POB 999,MS K8-88, Richland, WA 99352 USA. [Li, Lei-Jiao; Sun, Zhong-Ming] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, 5625 Renmin St, Changchun 130022, Jilin, Peoples R China. [Li, Shu-Hui; Gao, Xiang] Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Electroanalyt Chem, 5625 Renmin St, Changchun 130022, Jilin, Peoples R China. RP Wang, XB (reprint author), Pacific Northwest Natl Lab, Div Phys Sci, 902 Battelle Blvd,POB 999,MS K8-88, Richland, WA 99352 USA.; Sun, ZM (reprint author), Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Rare Earth Resource Utilizat, 5625 Renmin St, Changchun 130022, Jilin, Peoples R China.; Gao, X (reprint author), Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Electroanalyt Chem, 5625 Renmin St, Changchun 130022, Jilin, Peoples R China. EM szm@ciac.ac.cn; xgao@ciac.ac.cn; xuebin.wang@pnnl.gov FU U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences; National Natural Science Foundation of China [21571662, 21472183, 51402286]; Jilin Province technical innovation talented personal and team foundation Grant [20160519004JH]; DOE's Office of Biological and Environmental Research FX This work was supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, the Division of Chemical Sciences, Geosciences, and Biosciences, and performed using EMSL, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE. The theoretical calculations were conducted on Computing Center of Jilin Province. The authors are grateful for the financial support from the National Natural Science Foundation of China (Grant No. 21571662, 21472183 and 51402286) and Jilin Province technical innovation talented personal and team foundation (Grant No. 20160519004JH). NR 33 TC 0 Z9 0 U1 8 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD JUL 28 PY 2016 VL 18 IS 28 BP 18683 EP 18686 DI 10.1039/c6cp03978b PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DR5JK UT WOS:000379939100006 PM 27375165 ER PT J AU Alkan, F Holmes, ST Iuliucci, RJ Mueller, KT Dybowski, C AF Alkan, Fahri Holmes, Sean T. Iuliucci, Robbie J. Mueller, Karl T. Dybowski, Cecil TI Spin-orbit effects on the Sn-119 magnetic-shielding tensor in solids: a ZORA/DFT investigation SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID NMR CHEMICAL-SHIFTS; ORDER REGULAR APPROXIMATION; DENSITY-FUNCTIONAL THEORY; INCLUDING ATOMIC ORBITALS; BOND-VALENCE METHOD; HEAVY-NUCLEI; CRYSTAL-STRUCTURE; STATE NMR; 2-COMPONENT HAMILTONIANS; COORDINATION CHEMISTRY AB Periodic-boundary and cluster calculations of the magnetic-shielding tensors of Sn-119 sites in various co-ordination and stereochemical environments are reported. The results indicate a significant difference between the predicted NMR chemical shifts for tin(II) sites that exhibit stereochemically-active lone pairs and tin(IV) sites that do not have stereochemically-active lone pairs. The predicted magnetic shieldings determined either with the cluster model treated with the ZORA/Scalar Hamiltonian or with the GIPAW formalism are dependent on the oxidation state and the co-ordination geometry of the tin atom. The inclusion of relativistic effects at the spin-orbit level removes systematic differences in computed magnetic-shielding parameters between tin sites of differing stereochemistries, and brings computed NMR shielding parameters into significant agreement with experimentally-determined chemical-shift principal values. Slight improvement in agreement with experiment is noted in calculations using hybrid exchangecorrelation functionals. C1 [Alkan, Fahri; Holmes, Sean T.; Dybowski, Cecil] Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. [Iuliucci, Robbie J.] Washington & Jefferson Coll, Dept Chem, Washington, PA 15301 USA. [Mueller, Karl T.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Mueller, Karl T.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99352 USA. RP Alkan, F; Dybowski, C (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. EM alkan@udel.edu; dybowski@udel.edu FU National Science Foundation [CHE-0956006, CHE-1213451] FX C. D. acknowledges the support of the National Science Foundation under Grant CHE-0956006 and K. T. M. acknowledges the support of the National Science Foundation under Grant CHE-1213451. Authors acknowledge the Pennsylvania State University Center for Nanoscale Science for access to Accelrys MATERIALS STUDIO and use of the Lionxj cluster. NR 90 TC 1 Z9 1 U1 19 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD JUL 28 PY 2016 VL 18 IS 28 BP 18914 EP 18922 DI 10.1039/c6cp03807g PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DR5JK UT WOS:000379939100030 PM 27354312 ER PT J AU Zhang, L Cole, JM AF Zhang, Lei Cole, Jacqueline M. TI Can nitro groups really anchor onto TiO2? Case study of dye-to-TiO2 adsorption using azo dyes with NO2 substituents SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SENSITIZED SOLAR-CELLS; DENSITY-FUNCTIONAL THEORY; ORGANIC-DYES; OPTOELECTRONIC PROPERTIES; CONVERSION-EFFICIENCY; ABSORPTION-SPECTRUM; COUMARIN DYES; TD-DFT; PORPHYRIN; ENERGY AB The nitro group has recently been suggested as a new type of anchor for dye-sensitized solar cells (DSSCs) and has shown promising optoelectronic properties. Considering the excellent electron withdrawing ability of the nitro group and wider materials selection brought about by this substituent, it is helpful to evaluate the interfacial structures and photophysics of more organic dyes where NO2 poses as the dye-to-TiO2 anchor. A computational study on a family of azo dyes bearing a nitro group is presented, where the effect of certain side groups on their optical properties is examined. Both isolated dye molecules and dye/TiO2 nanocomposites are studied via density functional theory and timedependent density functional theory, with complementary experimental UV/vis absorption spectroscopy and photovoltaic device testing. Results demonstrate that these nitro-containing dyes prefer a monodentate anchoring mode on a TiO2 cluster. These nitro dyes reveal weak, but non-negligible, adsorption onto TiO2; yet, very low photovoltaic performance once incorporated into a DSSC device. This poor delivery of nitro groups as DSSC anchors is ostensibly inconsistent with previous findings; but is rationalized via the "auxiliary anchor" concept. C1 [Zhang, Lei] Nanjing Univ Informat Sci & Technol, Dept Phys, Nanjing 210044, Jiangsu, Peoples R China. [Zhang, Lei; Cole, Jacqueline M.] Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England. [Cole, Jacqueline M.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Cole, Jacqueline M.] STFC Rutherford Appleton Lab, ISIS Neutron & Muon Facil, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England. [Cole, Jacqueline M.] Univ Cambridge, Dept Chem Engn & Biotechnol, Charles Babbage Rd, Cambridge CB3 0FS, England. RP Cole, JM (reprint author), Univ Cambridge, Cavendish Lab, JJ Thomson Ave, Cambridge CB3 0HE, England.; Cole, JM (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA.; Cole, JM (reprint author), STFC Rutherford Appleton Lab, ISIS Neutron & Muon Facil, Harwell Sci & Innovat Campus, Didcot OX11 0QX, Oxon, England.; Cole, JM (reprint author), Univ Cambridge, Dept Chem Engn & Biotechnol, Charles Babbage Rd, Cambridge CB3 0FS, England. EM jmc61@cam.ac.uk RI Cole, Jacqueline/C-5991-2008; OI Zhang, Lei/0000-0001-6873-7314 FU 1851 Royal Commission; DOE Office of Science, Office of Basic Energy Sciences [DE-AC02-299 06CH11357]; EPSRC UK National Service for Computational Chemistry Software (NSCCS), based at Imperial College London FX J. M. C. thanks the 1851 Royal Commission for the 2014 Design Fellowship and Argonne National Laboratory, IL, USA, where work done was supported by DOE Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-299 06CH11357. L. Z. thanks the Startup Foundation for Introducing Talent of NUIST. Dr Xiaogang (Larry) Liu, formerly from the Cavendish Laboratory, is also thanked for helpful discussions. The authors acknowledge support from the EPSRC UK National Service for Computational Chemistry Software (NSCCS), based at Imperial College London, and contributions from its staff in assisting with this work. NR 69 TC 4 Z9 4 U1 13 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD JUL 28 PY 2016 VL 18 IS 28 BP 19062 EP 19069 DI 10.1039/c6cp02294d PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DR5JK UT WOS:000379939100044 PM 27356762 ER PT J AU Bhowmick, A Sharma, SC Honma, H Head-Gordon, T AF Bhowmick, Asmit Sharma, Sudhir C. Honma, Hallie Head-Gordon, Teresa TI The role of side chain entropy and mutual information for improving the de novo design of Kemp eliminases KE07 and KE70 SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ENZYME ACTIVE-SITES; DIRECTED EVOLUTION; CONFORMATIONAL ENSEMBLES; DIHYDROFOLATE-REDUCTASE; COMPUTATIONAL DESIGN; CATALYSIS; PROTEINS; REORGANIZATION; RECOGNITION; CHALLENGES AB Side chain entropy and mutual entropy information between residue pairs have been calculated for two de novo designed Kemp eliminase enzymes, KE07 and KE70, and for their most improved versions at the end of laboratory directed evolution (LDE). We find that entropy, not just enthalpy, helped to destabilize the preference for the reactant state complex of the designed enzyme as well as favoring stabilization of the transition state complex for the best LDE enzymes. Furthermore, residues with the highest side chain couplings as measured by mutual information, when experimentally mutated, were found to diminish or annihilate catalytic activity, some of which were far from the active site. In summary, our findings demonstrate how side chain fluctuations and their coupling can be an important design feature for de novo enzymes, and furthermore could be utilized in the computational steps in lieu of or in addition to the LDE steps in future enzyme design projects. C1 [Bhowmick, Asmit; Head-Gordon, Teresa] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Sharma, Sudhir C.; Head-Gordon, Teresa] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Honma, Hallie; Head-Gordon, Teresa] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Head-Gordon, Teresa] Lawrence Berkeley Natl Labs, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, T (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Head-Gordon, T (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Head-Gordon, T (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA.; Head-Gordon, T (reprint author), Lawrence Berkeley Natl Labs, Div Chem Sci, Berkeley, CA 94720 USA. EM thg@berkeley.edu FU Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Laboratory Directed Research and Development Program of Lawrence Berkeley National Laboratory under U.S. Department of Energy Contract No. DE-AC02-05CH11231. NR 52 TC 0 Z9 0 U1 2 U2 2 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD JUL 28 PY 2016 VL 18 IS 28 BP 19386 EP 19396 DI 10.1039/c6cp03622h PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DR5JK UT WOS:000379939100078 PM 27374812 ER PT J AU Altieri, AS Ladner, JE Li, Z Robinson, H Sallman, ZF Marino, JP Kelman, Z AF Altieri, Amanda S. Ladner, Jane E. Li, Zhuo Robinson, Howard Sallman, Zahur F. Marino, John P. Kelman, Zvi TI A small protein inhibits proliferating cell nuclear antigen by breaking the DNA clamp SO NUCLEIC ACIDS RESEARCH LA English DT Article ID X-RAY-SCATTERING; MACROMOLECULAR STRUCTURES; FLAP ENDONUCLEASE-1; SLIDING CLAMPS; THERMOCOCCUS-KODAKARENSIS; STRUCTURAL BASIS; PCNA; REPLICATION; POLYMERASE; COMPLEX AB Proliferating cell nuclear antigen (PCNA) forms a trimeric ring that encircles duplex DNA and acts as an anchor for a number of proteins involved in DNA metabolic processes. PCNA has two structurally similar domains (I and II) linked by a long loop (inter-domain connector loop, IDCL) on the outside of each monomer of the trimeric structure that makes up the DNA clamp. All proteins that bind to PCNA do so via a PCNA-interacting peptide (PIP) motif that binds near the IDCL. A small protein, called TIP, binds to PCNA and inhibits PCNA-dependent activities although it does not contain a canonical PIP motif. The X-ray crystal structure of TIP bound to PCNA reveals that TIP binds to the canonical PIP interaction site, but also extends beyond it through a helix that relocates the IDCL. TIP alters the relationship between domains I and II within the PCNA monomer such that the trimeric ring structure is broken, while the individual domains largely retain their native structure. Small angle X-ray scattering (SAXS) confirms the disruption of the PCNA trimer upon addition of the TIP protein in solution and together with the X-ray crystal data, provides a structural basis for the mechanism of PCNA inhibition by TIP. C1 [Altieri, Amanda S.; Ladner, Jane E.; Li, Zhuo; Sallman, Zahur F.; Marino, John P.; Kelman, Zvi] Univ Maryland, Inst Biosci & Biotechnol Res, 9600 Gudelsky Dr, Rockville, MD 20850 USA. [Altieri, Amanda S.; Ladner, Jane E.; Li, Zhuo; Sallman, Zahur F.; Marino, John P.; Kelman, Zvi] NIST, 9600 Gudelsky Dr, Rockville, MD 20850 USA. [Li, Zhuo] State Ocean Adm, Inst Oceanog 3, 184 Daxue Rd, Xiamen 361005, Fujian, Peoples R China. [Robinson, Howard] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Sallman, Zahur F.; Kelman, Zvi] Univ Maryland, Inst Biosci & Biotechnol Res, Biomol Labeling Lab, 9600 Gudelsky Dr, Rockville, MD 20850 USA. RP Kelman, Z (reprint author), Univ Maryland, Inst Biosci & Biotechnol Res, 9600 Gudelsky Dr, Rockville, MD 20850 USA.; Kelman, Z (reprint author), NIST, 9600 Gudelsky Dr, Rockville, MD 20850 USA.; Kelman, Z (reprint author), Univ Maryland, Inst Biosci & Biotechnol Res, Biomol Labeling Lab, 9600 Gudelsky Dr, Rockville, MD 20850 USA. EM zkelman@umd.edu FU National Institute of Standards and Technology FX National Institute of Standards and Technology. NR 45 TC 2 Z9 2 U1 4 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 EI 1362-4962 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD JUL 27 PY 2016 VL 44 IS 13 BP 6232 EP 6241 DI 10.1093/nar/gkw351 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA DV5VR UT WOS:000382999300022 PM 27141962 ER PT J AU Bui, N Meshot, ER Kim, S Pena, J Gibson, PW Wu, KJ Fornasiero, F AF Ngoc Bui Meshot, Eric R. Kim, Sangil Pena, Jose Gibson, Phillip W. Wu, Kuang Jen Fornasiero, Francesco TI Ultrabreathable and Protective Membranes with Sub-5 nm Carbon Nanotube Pores SO ADVANCED MATERIALS LA English DT Article ID FAST WATER TRANSPORT; FAST MASS-TRANSPORT; BIOLOGICAL PROTECTION; BREATHABLE MEMBRANES; DIFFUSION; FLOW; FABRICS; FLUX; PERFORMANCE; SELECTIVITY AB Small-diameter carbon nanotubes (CNTs) are shown to enable exceptionally fast transport of water vapor under a concentration gradient driving force. Thanks to this property, membranes having sub-5 nm CNTs as conductive pores feature outstanding breathability while maintaining a high degree of protection from biothreats by size exclusion. C1 [Ngoc Bui; Meshot, Eric R.; Kim, Sangil; Pena, Jose; Wu, Kuang Jen; Fornasiero, Francesco] Lawrence Livermore Natl Lab, Phys & Life Sci, Livermore, CA 94550 USA. [Gibson, Phillip W.] US Army Natick Soldier Res, Ctr Dev & Engn, Natick, MA 01760 USA. RP Fornasiero, F (reprint author), Lawrence Livermore Natl Lab, Phys & Life Sci, Livermore, CA 94550 USA. EM fornasiero1@llnl.gov RI Gibson, Phillip/D-2398-2010 OI Gibson, Phillip/0000-0002-6172-4438 FU Chemical and Biological Technologies Department of the Defense Threat Reduction Agency (DTRA-CB) [BA12PHM123]; Laboratory Directed Research and Development Program at LLNL [13-ERD-030]; US Department of Energy [DE-AC52-07NA27344]; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was enabled by financial support from the Chemical and Biological Technologies Department of the Defense Threat Reduction Agency (DTRA-CB) via grant BA12PHM123 in the "Dynamic Multifunctional Materials for a Second Skin D[MS]2" program. F.F. acknowledges partial support from the Laboratory Directed Research and Development Program at LLNL under project tracking code 13-ERD-030. Work at LLNL was performed under the auspices of the US Department of Energy under contract DE-AC52-07NA27344. A portion of this work was performed at the Molecular Foundry, which was supported by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under contract DE-AC02-05CH11231. X-ray characterization was performed at Beamline 7.3.3 of the Advanced Light Source, which was supported by the Director of the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 75 TC 0 Z9 0 U1 25 U2 25 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD JUL 27 PY 2016 VL 28 IS 28 BP 5871 EP + DI 10.1002/adma.201600740 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 DU7NJ UT WOS:000382400900010 PM 27159328 ER PT J AU Guo, EJ Cramer, J Kehlberger, A Ferguson, CA MacLaren, DA Jakob, G Klaui, M AF Guo, Er-Jia Cramer, Joel Kehlberger, Andreas Ferguson, Ciaran A. MacLaren, Donald A. Jakob, Gerhard Klaeui, Mathias TI Influence of Thickness and Interface on the Low-Temperature Enhancement of the Spin Seebeck Effect in YIG Films SO PHYSICAL REVIEW X LA English DT Article ID INSULATOR AB The temperature-dependent longitudinal spin Seebeck effect (LSSE) in heavy metal (HM)/Y3Fe5O12 (YIG) hybrid structures is investigated as a function of YIG film thickness, magnetic field strength, and different HM detection materials. The LSSE signal shows a large enhancement with reductions in temperature, leading to a pronounced peak at low temperatures. We find that the LSSE peak temperature strongly depends on the film thickness as well as on the magnetic field. Our result can be well explained in the framework of magnon-driven LSSE by taking into account the temperature-dependent effective propagation length of thermally excited magnons in the bulk of the material. We further demonstrate that the LSSE peak is significantly shifted by changing the interface coupling to an adjacent detection layer, revealing a more complex behavior beyond the currently discussed bulk effect. By direct microscopic imaging of the interface, we correlate the observed temperature dependence with the interface structure between the YIG and the adjacent metal layer. Our results highlight the role of interface effects on the temperature-dependent LSSE in HM/YIG system, suggesting that the temperature-dependent spin current transparency strikingly relies on the interface conditions. C1 [Guo, Er-Jia; Cramer, Joel; Kehlberger, Andreas; Jakob, Gerhard; Klaeui, Mathias] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Guo, Er-Jia] Oak Ridge Natl Lab, Quantum Condensed Mater Div, Oak Ridge, TN 37830 USA. [Ferguson, Ciaran A.; MacLaren, Donald A.] Univ Glasgow, Sch Phys & Astron, SUPA, Glasgow G12 8QQ, Lanark, Scotland. RP Klaui, M (reprint author), Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. EM klaeui@uni-mainz.de RI Jakob, Gerhard/D-8978-2013; Klaui, Mathias/B-6972-2009; Guo, Er-Jia/F-5229-2012 OI Jakob, Gerhard/0000-0001-9466-0840; Klaui, Mathias/0000-0002-4848-2569; Guo, Er-Jia/0000-0001-5702-225X FU Deutsche Forschungsgemeinschaft (DFG) "Spin Caloric Transport" [SPP 1538]; Graduate School of Excellence Materials Science in Mainz (MAINZ); EU project (IFOX) [NMP3-LA-2012246102]; EU project (INSPIN) [FP7-ICT-2013-X 612759]; EU project (MASPIC) [ERC-2007-StG 208162]; DAAD Spintronics network (SpinNet) [56268455]; Transregional Collaborative Research Center (SFB/TRR) "Spin+ X-Spin its collective environment" [173]; Engineering and Physical Sciences Research Council of the UK [EP/I00419X/1]; Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory FX The authors would like to express their thanks to Dr. Alexander Serga and Professor Burkard Hillebrands at TU Kaiserslautern for providing a portion of the LPE YIG samples and to Professor Gerrit E. W. Bauer, Dr. Joe Barker, Professor Ulrich Nowak, Professor R. Duine, and Dr. Sebastian T. B. Goennenwein for valuable discussions. This work was supported by Deutsche Forschungsgemeinschaft (DFG) SPP 1538 "Spin Caloric Transport," the Graduate School of Excellence Materials Science in Mainz (MAINZ), the EU projects (IFOX, NMP3-LA-2012246102, INSPIN FP7-ICT-2013-X 612759, MASPIC ERC-2007-StG 208162), DAAD Spintronics network (SpinNet), project No. 56268455, and Transregional Collaborative Research Center (SFB/TRR) 173 "Spin+ X-Spin its collective environment", and through the provision of a fellowship to D. A. M., the Engineering and Physical Sciences Research Council of the UK (EP/I00419X/1). During the completion of this manuscript, E.-J. G. was supported by the Laboratory Directed Research and Development (LDRD) Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. DOE. NR 53 TC 7 Z9 7 U1 15 U2 20 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2160-3308 J9 PHYS REV X JI Phys. Rev. X PD JUL 27 PY 2016 VL 6 IS 3 AR 031012 DI 10.1103/PhysRevX.6.031012 PG 11 WC Physics, Multidisciplinary SC Physics GA DT4SS UT WOS:000381471800002 ER PT J AU Zou, T Cao, HB Liu, GQ Peng, J Gottschalk, M Zhu, M Zhao, Y Leao, JB Tian, W Mao, ZQ Ke, X AF Zou, T. Cao, H. B. Liu, G. Q. Peng, J. Gottschalk, M. Zhu, M. Zhao, Y. Leao, J. B. Tian, W. Mao, Z. Q. Ke, X. TI Pressure-induced electronic and magnetic phase transitions in a Mott insulator: Ti-doped Ca3Ru2O7 bilayer ruthenate SO PHYSICAL REVIEW B LA English DT Article ID COLOSSAL MAGNETORESISTANCE; SUPERCONDUCTIVITY; SR2RUO4; METAL; CA2-XSR(X)RUO4; CA2RUO4 AB We report the hydrostatic pressure-induced electronic and magnetic phase transitions in a Mott insulator, a bilayer ruthenate Ca-3(Ru0.97Ti0.03)(2)O-7, via electronic transport and single crystal neutron diffraction measurements. The system undergoes an insulator-metal transition at a very small hydrostatic pressure approximate to 0.04GPa, followed by a magnetic phase transition around 0.3 GPa, suggesting that the low energy charge fluctuation and magnetic ordering couple to the pressure separately in this compound. The ab initio calculations show that the suppressed RuO6 flattening induced by the pressure reduces the orbital polarization and gives rise to an insulator-metal transition preceding the magnetic phase transition. C1 [Zou, T.; Gottschalk, M.; Zhu, M.; Ke, X.] Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. [Cao, H. B.; Tian, W.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Liu, G. Q.] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo 315201, Zhejiang, Peoples R China. [Peng, J.; Mao, Z. Q.] Tulane Univ, Dept Phys & Engn Phys, New Orleans, LA 70118 USA. [Peng, J.] Nanjing Univ, Sch Phys, Lab Solid State Microstruct, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Zhao, Y.; Leao, J. B.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Zhao, Y.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. RP Ke, X (reprint author), Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. EM ke@pa.msu.edu RI Tian, Wei/C-8604-2013 OI Tian, Wei/0000-0001-7735-3187 FU Michigan State University; U.S. Department of Energy (DOE) under Experimental Program to Stimulate Competitive Research (EPSCoR) Grant [DE-SC0012432]; Louisiana Board of Regents; Scientific User Facilities Division, Office of Basic Energy Sciences, DOE; National Natural Science Foundation of China [11304149, 11204326, 11474296] FX X.K. acknowledges the start-up funds from Michigan State University. Work at Tulane University was supported by the U.S. Department of Energy (DOE) under Experimental Program to Stimulate Competitive Research (EPSCoR) Grant No. DE-SC0012432 with additional support from the Louisiana Board of Regents (support for crystal growth). Work at ORNL was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, DOE. J.P. was supported by the National Natural Science Foundation of China (Grant No. 11304149), and G.L. was supported by the National Natural Science Foundation of China (Grants No. 11204326 and No. 11474296). The identification of any commercial product or trade name does not imply endorsement or recommendation by the National Institute of Standards and Technology. NR 33 TC 0 Z9 0 U1 14 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 27 PY 2016 VL 94 IS 4 AR 041115 DI 10.1103/PhysRevB.94.041115 PG 5 WC Physics, Condensed Matter SC Physics GA DT4XR UT WOS:000381485200001 ER PT J AU Hung, Y Tawfik, H Mahajan, D AF Hung, Y. Tawfik, H. Mahajan, D. TI Durability and characterization studies of chromium carbide coated aluminum fuel cell stack SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Metallic bipolar plates; PEM fuel cells; Contact resistance; Chromium carbide; HVOF; Characterization ID METALLIC BIPOLAR PLATES; STAINLESS-STEEL; CORROSION-RESISTANCE; COMPOSITE; PERFORMANCE; FABRICATION; PROTECTION; BEHAVIOR; PEMFC; LAYER AB Corrosion and interfacial contact resistance measurements were performed on chromium carbide coated aluminum 6061 and as-received aluminum 6061 samples. The coating was thermally sprayed onto the aluminum sample using the High Velocity Oxygen Fuel (HVOF) thermal spray technique. The chromium carbide coating consists of Cr3C2 top layer and Cr-C-Ni intermediate layer. The coating thickness was approximately 150 mu m. A three-cell stack with chromium carbide coated aluminum bipolar plates was also fabricated for the durability and characterization studies. The coating thicknesses on the lands of the ribs and the walls of the valleys were approximately 300 mu m and 150 mu m, respectively. The stack was operated at the temperatures of 37 degrees C for 250 h and 80 degrees C for additional 500 h. The scanning electron 'microscopy (SEM) and energy dispersive x-ray spectroscopy (EDX) analysis shows that the thickness, chemistry, and surface morphology of the coating material remained consistent after 750 h of operation. The inductively coupled plasma optical emission spectroscopy (ICP-OES) analysis was performed on the samples of membrane electrode assembly (MEA) and byproduct water that was produced during the fuel cell electrochemical reaction. (C) 2016 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved. C1 [Hung, Y.; Tawfik, H.] Farmingdale State Coll, Farmingdale, NY 11735 USA. [Tawfik, H.; Mahajan, D.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Tawfik, H.; Mahajan, D.] SUNY Stony Brook, Stony Brook, NY 11794 USA. RP Hung, Y (reprint author), 2350 Broadhollow Rd, Farmingdale, NY 11735 USA. EM hungy@farmingdale.edu; tawfikhh@farmingdale.edu; devinder.mahajan@stonybrook.edu NR 36 TC 0 Z9 0 U1 5 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 EI 1879-3487 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD JUL 27 PY 2016 VL 41 IS 28 BP 12273 EP 12284 DI 10.1016/j.ijhydene.2016.05.136 PG 12 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA DS2QC UT WOS:000380627600042 ER PT J AU Voronina, L Masson, A Kamrath, M Schubert, F Clemmer, D Baldauf, C Rizzo, TR AF Voronina, Liudmila Masson, Antoine Kamrath, Michael Schubert, Franziska Clemmer, David Baldauf, Carsten Rizzo, Thomas R. TI Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas Phase SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID INTRINSICALLY DISORDERED PROTEINS; ION MOBILITY MEASUREMENTS; DENSITY-FUNCTIONAL THEORY; MASS-SPECTROMETRY; NEUROPEPTIDE BRADYKININ; INFRARED-SPECTROSCOPY; TRANS ISOMERIZATION; BIOMOLECULAR IONS; NMR; CIS AB The dynamic nature of intrinsically disordered peptides makes them a challenge to characterize by solution-phase techniques. In order to gain insight into the relation between the disordered state and the environment, we explore the conformational space of the N terminal 1-5 fragment of bradykinin (BK[1-5](2+)) in the gas phase by combining drift tube ion mobility, cold-ion spectroscopy, and first principles simulations. The ion-mobility distribution of BK[1-5](2+) consists of two well-separated peaks. We demonstrate that the conformations within the peak with larger cross-section are kinetically trapped, while the more compact peak contains low-energy structures. This is a result of cis-trans isomerization of the two prolyl-peptide bonds in BK[1-5](2+). Density-functional theory calculations reveal that the compact structures have two very different geometries with cis trans and trans cis backbone conformations. Using the experimental CCSs to guide the conformational search, we find that the kinetically trapped species have a trans trans configuration. This is consistent with NMR measurements performed in a solution, which show that 82% of the molecules adopt a trans trans configuration and behave as a random coil. C1 [Voronina, Liudmila; Masson, Antoine; Kamrath, Michael; Rizzo, Thomas R.] EPFL SB ISIC LCPM, Lab Chim Phys Mol, Ecole Polytech Fed Lausanne, Stn 6, CH-1015 Lausanne, Switzerland. [Schubert, Franziska; Baldauf, Carsten] Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany. [Clemmer, David] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [Masson, Antoine] Lawrence Berkeley Natl Lab, Div Earth Sci, 1 Cyclotron Rd,MS74R316C, Berkeley, CA 94720 USA. RP Rizzo, TR (reprint author), EPFL SB ISIC LCPM, Lab Chim Phys Mol, Ecole Polytech Fed Lausanne, Stn 6, CH-1015 Lausanne, Switzerland.; Baldauf, C (reprint author), Max Planck Gesell, Fritz Haber Inst, D-14195 Berlin, Germany. EM baldauf@fhi-berlin.mpg.de; Thomas.Rizzo@epfl.ch RI Rizzo, Thomas/D-1554-2011 OI Rizzo, Thomas/0000-0003-2796-905X FU EPFL; Swiss National Science Foundation [200020_152804]; joint EPFL-Max Planck Center for Molecular Nanotechnology FX We are grateful to the EPFL, the Swiss National Science Foundation (Grant Number 200020_152804) and the joint EPFL-Max Planck Center for Molecular Nanotechnology for the financial support of this work. The authors also thank Dr. Pascal Mieville and Dr. Luc Patiny for the NMR data. CB thanks Dr. Mariana Rossi for sharing her knowledge about theoretical vibrational spectroscopy and Prof. Matthias Scheffler for his continuous support. NR 94 TC 3 Z9 3 U1 13 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 27 PY 2016 VL 138 IS 29 BP 9224 EP 9233 DI 10.1021/jacs.6b04550 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA DS4CW UT WOS:000380730000042 PM 27366919 ER PT J AU Hu, J Wu, LJ Kuttiyiel, KA Goodman, KR Zhang, CX Zhu, YM Vukmirovic, MB White, MG Sasaki, K Adzic, RR AF Hu, Jue Wu, Lijun Kuttiyiel, Kurian A. Goodman, Kenneth R. Zhang, Chengxu Zhu, Yimei Vukmirovic, Miomir B. White, Michael G. Sasaki, Kotaro Adzic, Radoslav R. TI Increasing Stability and Activity of Core-Shell Catalysts by Preferential Segregation of Oxide on Edges and Vertexes: Oxygen Reduction on Ti-Au@Pt/C SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID FUEL-CELL CATALYSTS; MONOLAYER ELECTROCATALYSTS; ENHANCED ACTIVITY; HIGH-PERFORMANCE; ACID-SOLUTIONS; MONO LAYER; PLATINUM; NANOPARTICLES; METAL; GOLD AB We describe a new class of core shell nanoparticle catalysts having edges and vertexes covered by refractory metal oxide that preferentially segregates onto these catalyst sites. The monolayer shell is deposited on the oxide-free core atoms. The oxide on edges and vertexes induces high catalyst stability and activity. The catalyst and synthesis are exemplified by fabrication of Au nanoparticles doped by Ti atoms that segregate as oxide onto low coordination sites of edges and vertexes. Pt monolayer shell deposited on Au sites has the mass and specific activities for the oxygen reduction reaction about 13 and 5 times higher than those of commercial Pt/C catalysts. The durability tests show no activity loss after 10 000 potential cycles from 0.6 to 1.0 V. The superior activity and durability of the Ti-Au@Pt catalyst originate from protective titanium oxide located at the most dissolution-prone edge and vertex sites and Au-supported active and stable Pt shell. C1 [Hu, Jue; Kuttiyiel, Kurian A.; Vukmirovic, Miomir B.; White, Michael G.; Sasaki, Kotaro; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Wu, Lijun; Zhu, Yimei] Brookhaven Natl Lab, Dept Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Hu, Jue; Zhang, Chengxu] Chinese Acad Sci, Inst Plasma Phys, POB 1126, Hefei 230031, Anhui, Peoples R China. [Goodman, Kenneth R.; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP Adzic, RR (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA.; Zhang, CX (reprint author), Chinese Acad Sci, Inst Plasma Phys, POB 1126, Hefei 230031, Anhui, Peoples R China. EM chxzhang@ipp.ac.cn; adzic@bnl.gov FU U.S. Department of Energy [DE-SC0012704]; National Nature Science Foundation of Anhui Province [1508085QA10]; Youth Innovation Promotion Association of Chinese Academy of Sciences [2015265] FX This manuscript has been authored by employees of Brookhaven Science Associates, LLC, under Contract No. DE-SC0012704 with the U.S. Department of Energy. J.H. acknowledges the support by the National Nature Science Foundation of Anhui Province (No. 1508085QA10) and the Youth Innovation Promotion Association of Chinese Academy of Sciences (No. 2015265). NR 52 TC 6 Z9 6 U1 54 U2 80 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 27 PY 2016 VL 138 IS 29 BP 9294 EP 9300 DI 10.1021/jacs.6b04999 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DS4CW UT WOS:000380730000049 PM 27362731 ER PT J AU Zhang, XL Wu, J Wang, J Shen, TT Li, H Lu, J Gu, YZ Kang, YN Wong, CH Ngan, CY Shao, ZF Wu, J Zhao, XD AF Zhang, Xiao-Li Wu, Jun Wang, Jian Shen, Tingting Li, Hua Lu, Jun Gu, Yunzhao Kang, Yani Wong, Chee-Hong Ngan, Chew Yee Shao, Zhifeng Wu, Ji Zhao, Xiaodong TI Integrative epigenomic analysis reveals unique epigenetic signatures involved in unipotency of mouse female germline stem cells SO GENOME BIOLOGY LA English DT Article DE Female germline stem cell; Epigenome; ChIP-Seq ID DNA METHYLATION; GENE-EXPRESSION; SEX DETERMINATION; GENOME; CHROMATIN; MICE; PLURIPOTENCY; ENHANCERS; OVARIES; 5-HYDROXYMETHYLCYTOSINE AB Background: Germline stem cells play an essential role in establishing the fertility of an organism. Although extensively characterized, the regulatory mechanisms that govern the fundamental properties of mammalian female germline stem cells remain poorly understood. Results: We generate genome-wide profiles of the histone modifications H3K4me1, H3K27ac, H3K4me3, and H3K27me3, DNA methylation, and RNA polymerase II occupancy and perform transcriptome analysis in mouse female germline stem cells. Comparison of enhancer regions between embryonic stem cells and female germline stem cells identifies the lineage-specific enhancers involved in germline stem cell features. Additionally, our results indicate that DNA methylation primarily contributes to female germline stem cell unipotency by suppressing the somatic program and is potentially involved in maintenance of sexual identity when compared with male germline stem cells. Moreover, we demonstrate down-regulation of Prmt5 triggers differentiation and thus uncover a role for Prmt5 in maintaining the undifferentiated status of female germline stem cells. Conclusions: The genome-wide epigenetic signatures and the transcription regulators identified here provide an invaluable resource for understanding the fundamental features of mouse female germline stem cells. C1 [Zhang, Xiao-Li; Wu, Jun; Shen, Tingting; Li, Hua; Lu, Jun; Gu, Yunzhao; Kang, Yani; Shao, Zhifeng; Zhao, Xiaodong] Shanghai Jiao Tong Univ, Sch Biomed Engn, Shanghai Ctr Syst Biomed, Bio ID Ctr, Shanghai 200240, Peoples R China. [Wang, Jian; Wu, Ji] Shanghai Jiao Tong Univ, Bio X Inst, Shanghai 200240, Peoples R China. [Wong, Chee-Hong; Ngan, Chew Yee] Lawrence Berkeley Natl Lab, Joint Genome Inst, Sequencing Technol Grp, Walnut Creek, CA 94598 USA. [Wu, Ji] Ningxia Med Univ, Minist Educ, Key Lab Fertil Preservat & Maintenance, Yinchuan 750004, Peoples R China. RP Zhao, XD (reprint author), Shanghai Jiao Tong Univ, Sch Biomed Engn, Shanghai Ctr Syst Biomed, Bio ID Ctr, Shanghai 200240, Peoples R China.; Wu, J (reprint author), Shanghai Jiao Tong Univ, Bio X Inst, Shanghai 200240, Peoples R China.; Wu, J (reprint author), Ningxia Med Univ, Minist Educ, Key Lab Fertil Preservat & Maintenance, Yinchuan 750004, Peoples R China. EM jiwu@sjtu.edu.cn; xiaodongzhao@sjtu.edu.cn RI Shao, Zhifeng/B-6075-2013 FU Development Program for Basic Research of China [2013CB967402]; Longhua Medical Project of State Clinical Research Center of TCM in Longhua Hospital [LYTD-21, JDZX2012123]; National Natural Science Foundation of China [91229123, 91019004] FX This work was supported by Development Program for Basic Research of China [2013CB967402], Longhua Medical Project of State Clinical Research Center of TCM in Longhua Hospital [LYTD-21 and JDZX2012123] and State Key and National Natural Science Foundation of China [91229123 and 91019004]. NR 58 TC 0 Z9 0 U1 2 U2 3 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PD JUL 27 PY 2016 VL 17 DI 10.1186/s13059-016-1023-z PG 12 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA DS5WV UT WOS:000380854600001 ER PT J AU Singh, S Freeland, JW Fitzsimmons, MR Jeen, H Biswas, A AF Singh, Surendra Freeland, J. W. Fitzsimmons, M. R. Jeen, H. Biswas, A. TI Composition dependence of charge and magnetic length scales in mixed valence manganite thin films SO SCIENTIFIC REPORTS LA English DT Article ID X-RAY-SCATTERING; ROUGH SURFACES; NEUTRON-SCATTERING; GRAZING-INCIDENCE; MULTILAYERS; REFLECTION; TRANSITION; PHYSICS; OXIDES; CO AB Mixed-valence manganese oxides present striking properties like the colossal magnetoresistance, metal-insulator transition (MIT) that may result from coexistence of ferromagnetic, metallic and insulating phases. Percolation of such phase coexistence in the vicinity of MIT leads to first-order transition in these manganites. However the length scales over which the electronic and magnetic phases are separated across MIT which appears compelling for bulk systems has been elusive in (La1-yPry)(1-x)CaxMnO3 films. Here we show the in-plane length scale over which charge and magnetism are correlated in (La0.4Pr0.6)(1-x)CaxMnO3 films with x = 0.33 and 0.375, across the MIT temperature. We combine electrical transport (resistance) measurements, x-ray absorption spectroscopy (XAS), x-ray magnetic circular dichroism (XMCD), and specular/off-specular x-ray resonant magnetic scattering (XRMS) measurements as a function of temperature to elucidate relationships between electronic, magnetic and morphological structure of the thin films. Using off-specular XRMS we obtained the charge-charge and charge-magnetic correlation length of these LPCMO films across the MIT. We observed different charge-magnetic correlation length for two films which increases below the MIT. The different correlation length shown by two films may be responsible for different macroscopic (transport and magnetic) properties. C1 [Singh, Surendra] Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400085, Maharashtra, India. [Freeland, J. W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Fitzsimmons, M. R.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN USA. [Jeen, H.; Biswas, A.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Jeen, H.] Pusan Natl Univ, Dept Phys, Busan 609735, South Korea. RP Singh, S (reprint author), Bhabha Atom Res Ctr, Div Solid State Phys, Bombay 400085, Maharashtra, India. EM surendra@barc.gov.in FU Office of Basic Energy Science (BES), U.S. Department of Energy (DOE), BES-DMS - DOE's Office of BES; US DOE [DE-AC02-06CH11357]; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; National Science Foundation [DMR 1410237] FX This work was supported by the Office of Basic Energy Science (BES), U.S. Department of Energy (DOE), BES-DMS funded by the DOE's Office of BES, the National Science Foundation (DMR 1410237) (AB). Use of the Advanced Photon Source at Argonne National Laboratories was supported by the US DOE under contract DE-AC02-06CH11357. This research partially supported by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. NR 49 TC 0 Z9 0 U1 8 U2 15 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 27 PY 2016 VL 6 AR 29632 DI 10.1038/srep29632 PG 13 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS0ZJ UT WOS:000380325200001 PM 27461993 ER PT J AU Cao, SS Luo, T Qin, GY Wang, XN AF Cao, Shanshan Luo, Tan Qin, Guang-You Wang, Xin-Nian TI Linearized Boltzmann transport model for jet propagation in the quark-gluon plasma: Heavy quark evolution SO PHYSICAL REVIEW C LA English DT Article ID PB-PB COLLISIONS; RADIATIVE ENERGY-LOSS; TRANSVERSE-MOMENTUM; ROOT-S(NN)=2.76 TEV; ELLIPTIC FLOW; QCD; FLAVOR; SUPPRESSION; DEPENDENCE; MATTER AB A linearized Boltzmann transport (LBT) model coupled with hydrodynamical background is established to describe the evolution of jet shower partons and medium excitations in high energy heavy-ion collisions. We extend the LBT model to include both elastic and inelastic processes for light and heavy partons in the quark-gluon plasma. A hybrid model of fragmentation and coalescence is developed for the hadronization of heavy quarks. Within this framework, we investigate how heavy flavor observables depend on various ingredients, such as different energy loss and hadronization mechanisms, the momentum and temperature dependences of the transport coefficients, and the radial flow of the expanding fireball. Our model calculations show good descriptions of the D meson suppression and elliptic flow observed at the Larege Hadron Collider and the Relativistic Heavy-Ion Collider. The prediction for the Pb-Pb collisions at root s(NN) = 5.02 TeV is provided. C1 [Cao, Shanshan; Luo, Tan; Wang, Xin-Nian] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Luo, Tan; Qin, Guang-You; Wang, Xin-Nian] Cent China Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. [Luo, Tan; Qin, Guang-You; Wang, Xin-Nian] Cent China Normal Univ, Key Lab Quark & Lepton Phys MOE, Wuhan 430079, Peoples R China. RP Cao, SS (reprint author), Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. FU U.S. Department of Energy [DE-AC02-05CH11231]; Natural Science Foundation of China (NSFC) [11221504, 11375072]; Chinese Ministry of Science and Technology [2014DFG02050]; Major State Basic Research Development Program in China [2014CB845404] FX We are grateful to Long-Gang Pang for providing the hydrodynamic profiles of Pb-Pb collisions at root sNN = 5.02 TeV and to Jun Tao for valuable discussions. This work is funded by the Director, Office of Energy Research, Office of High Energy and Nuclear Physics, Division of Nuclear Physics of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 within the framework of the JET Collaboration; by the Natural Science Foundation of China (NSFC) under Grants No. 11221504 and No. 11375072; by the Chinese Ministry of Science and Technology under Grant No. 2014DFG02050; and by the Major State Basic Research Development Program in China (No. 2014CB845404). NR 86 TC 1 Z9 1 U1 2 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 26 PY 2016 VL 94 IS 1 AR 014909 DI 10.1103/PhysRevC.94.014909 PG 13 WC Physics, Nuclear SC Physics GA DT4YV UT WOS:000381488500001 ER PT J AU Lehmann, CS Picon, A Bostedt, C Rudenko, A Marinelli, A Moonshiram, D Osipov, T Rolles, D Berrah, N Bomme, C Bucher, M Doumy, G Erk, B Ferguson, KR Gorkhover, T Ho, PJ Kanter, EP Krassig, B Krzywinski, J Lutman, AA March, AM Ray, D Young, L Pratt, ST Southworth, SH AF Lehmann, C. S. Picon, A. Bostedt, C. Rudenko, A. Marinelli, A. Moonshiram, D. Osipov, T. Rolles, D. Berrah, N. Bomme, C. Bucher, M. Doumy, G. Erk, B. Ferguson, K. R. Gorkhover, T. Ho, P. J. Kanter, E. P. Krassig, B. Krzywinski, J. Lutman, A. A. March, A. M. Ray, D. Young, L. Pratt, S. T. Southworth, S. H. TI Ultrafast x-ray-induced nuclear dynamics in diatomic molecules using femtosecond x-ray-pump-x-ray-probe spectroscopy SO PHYSICAL REVIEW A LA English DT Article ID FREE-ELECTRON LASER; K-SHELL PHOTOABSORPTION; CHARGE-TRANSFER; CROSS-SECTIONS; AUGER-SPECTRA; PHOTOIONIZATION; LOCALIZATION; COINCIDENCE; NITROGEN; PULSES AB The capability of generating two intense, femtosecond x-ray pulses with a controlled time delay opens the possibility of performing time-resolved experiments for x-ray-induced phenomena. We have applied this capability to study the photoinduced dynamics in diatomic molecules. In molecules composed of low-Z elements, K-shell ionization creates a core-hole state in which the main decay mode is an Auger process involving two electrons in the valence shell. After Auger decay, the nuclear wave packets of the transient two-valence-hole states continue evolving on the femtosecond time scale, leading either to separated atomic ions or long-lived quasibound states. By using an x-ray pump and an x-ray probe pulse tuned above the K-shell ionization threshold of the nitrogen molecule, we are able to observe ion dissociation in progress by measuring the time-dependent kinetic energy releases of different breakup channels. We simulated the measurements on N-2 with a molecular dynamics model that accounts for K-shell ionization, Auger decay, and the time evolution of the nuclear wave packets. In addition to explaining the time-dependent feature in the measured kinetic energy release distributions from the dissociative states, the simulation also reveals the contributions of quasibound states. C1 [Lehmann, C. S.; Picon, A.; Bostedt, C.; Moonshiram, D.; Bucher, M.; Doumy, G.; Ho, P. J.; Kanter, E. P.; Krassig, B.; March, A. M.; Young, L.; Pratt, S. T.; Southworth, S. H.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Bostedt, C.] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. [Rudenko, A.; Rolles, D.] Kansas State Univ, Dept Phys, JR Macdonald Lab, Manhattan, KS 66506 USA. [Marinelli, A.; Osipov, T.; Bucher, M.; Ferguson, K. R.; Gorkhover, T.; Krzywinski, J.; Lutman, A. A.; Ray, D.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Rolles, D.; Bomme, C.; Erk, B.] Deutsch Elektronen Synchrotron DESY, D-22607 Hamburg, Germany. [Berrah, N.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Young, L.] Univ Chicago, James Franck Inst, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Young, L.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Lehmann, C. S.] Univ Marburg, Fachbereich Chem, Marburg, Germany. RP Picon, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM antonio.picon.alvarez@gmail.com RI Moonshiram, Dooshaye/J-5138-2014; Rudenko, Artem/C-7412-2009 OI Moonshiram, Dooshaye/0000-0002-9075-3035; Rudenko, Artem/0000-0002-9154-8463 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division [DE-AC02-06CH11357, DE-FG02-86ER13491, DE-SC0012376]; Helmholtz Gemeinschaft through the Young Investigator Program; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515] FX A.P. and S.H.S. acknowledge discussions with Masahiro Ehara and Kiyoshi Ueda about the core-excited potentials. This material is based upon work supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division and supported the Argonne group under Contract No. DE-AC02-06CH11357, A.R. and D.R. under Contract No. DE-FG02-86ER13491, and N.B. under Contract No. DE-SC0012376. D.R. also acknowledges support from the Helmholtz Gemeinschaft through the Young Investigator Program. Use of the Linac Coherent Light Source (LCLS), 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 60 TC 2 Z9 2 U1 9 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9926 EI 2469-9934 J9 PHYS REV A JI Phys. Rev. A PD JUL 26 PY 2016 VL 94 IS 1 AR 013426 DI 10.1103/PhysRevA.94.013426 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA DT4TL UT WOS:000381473900005 ER PT J AU Mrozek, M Wojciechowski, AM Rudnicki, DS Zachorowski, J Kehayias, P Budker, D Gawlik, W AF Mrozek, M. Wojciechowski, A. M. Rudnicki, D. S. Zachorowski, J. Kehayias, P. Budker, D. Gawlik, W. TI Coherent population oscillations with nitrogen-vacancy color centers in diamond SO PHYSICAL REVIEW B LA English DT Article ID SPECTRAL HOLE; SLOW LIGHT; ABSORPTION-LINE; SPIN QUBITS; PUMP-PROBE; SPECTROSCOPY; SATURATION; WAVES AB We present results of our research on two-field (two-frequency) microwave spectroscopy in nitrogen-vacancy (NV-) color centers in a diamond. Both fields are tuned to transitions between the spin sublevels of the NV- ensemble in the (3)A(2) ground state (one field has a fixed frequency while the second one is scanned). Particular attention is focused on the case where two microwave fields drive the same transition between two NV- ground state sublevels (m(s) = 0 <-> m(s) = + 1). In this case, the observed spectra exhibit a complex narrow structure composed of three Lorentzian resonances positioned at the pump-field frequency. The resonance widths and amplitudes depend on the lifetimes of the levels involved in the transition. We attribute the spectra to coherent population oscillations induced by the two nearly degenerate microwave fields, which we have also observed in real time. The observations agree well with a theoretical model and can be useful for investigation of the NV relaxation mechanisms. C1 [Mrozek, M.; Wojciechowski, A. M.; Rudnicki, D. S.; Zachorowski, J.; Gawlik, W.] Jagiellonian Univ, Inst Phys, Lojasiewicza 11, PL-30348 Krakow, Poland. [Kehayias, P.; Budker, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Budker, D.] Johannes Gutenberg Univ Mainz, Helmholtz Inst Mainz, D-55099 Mainz, Germany. [Budker, D.] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Wojciechowski, A. M.] Tech Univ Denmark, Dept Phys, DK-2800 Lyngby, Denmark. RP Mrozek, M (reprint author), Jagiellonian Univ, Inst Phys, Lojasiewicza 11, PL-30348 Krakow, Poland. RI Wojciechowski, Adam/F-8434-2011 OI Wojciechowski, Adam/0000-0003-1805-6718 FU Polish National Science Center (NCN) [2012/07/B/ST2/00251]; AFOSR/DARPA QuASAR program; DFG [FO 703/2-1] FX This research was supported by the Polish National Science Center (NCN Grant No. 2012/07/B/ST2/00251). D.B. acknowledges the support by the AFOSR/DARPA QuASAR program, and by DFG through the DIP program (Grant No. FO 703/2-1). The authors acknowledge stimulating discussion with Arlene Wilson-Gordon, Vladimir Akulin, Moshe Cooper, Ron Folman, Janusz Mlynarczyk, and Harazi Sivan. NR 46 TC 0 Z9 0 U1 17 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 26 PY 2016 VL 94 IS 3 AR 035204 DI 10.1103/PhysRevB.94.035204 PG 11 WC Physics, Condensed Matter SC Physics GA DT4WO UT WOS:000381482200002 ER PT J AU Oleksiak, MD Soltis, JA Conato, MT Penn, RL Rimer, JD AF Oleksiak, Matthew D. Soltis, Jennifer A. Conato, Marlon T. Penn, R. Lee Rimer, Jeffrey D. TI Nucleation of FAU and LTA Zeolites from Heterogeneous Aluminosilicate Precursors SO CHEMISTRY OF MATERIALS LA English DT Article ID SOLVENT-FREE SYNTHESIS; METAL-OXIDE NANOTUBES; HYDROTHERMAL SYNTHESIS; ELECTRON-MICROSCOPY; CRYSTAL MORPHOLOGY; 2-STEP NUCLEATION; ROOM-TEMPERATURE; CRYSTALLIZATION; MECHANISM; GROWTH AB The nucleation of many natural, biogenic, and synthetic crystals involves the initial formation of metastable precursors that provides a kinetic pathway for an amorphous-to-crystalline transformation. This nonclassical mechanism is believed to be the dominant crystallization pathway for microporous zeolites. Despite significant research on zeolite growth mechanisms, molecular level details regarding the assembly, physicochemical properties, and structural evolution of amorphous (alumino)silicate precursors remain elusive Here we use a combination of diffraction, scattering, and microscopy techniques to characterize the amorphous precursors that assemble and evolve during the synthesis of zeolites FAU and LTA - two materials that are widely used in commercial applications such as catalysis, adsorption, separations, and ion-exchange. Nucleation occurs by a two-step mechanism involving the initial formation of aggregates that serve as heterogeneous sites for nucleation. Using colloidal silica as a reagent, we observe that precursors are comprised of heterogeneous silica and alumina domains due in part to the negligible dissolution of silica during room temperature aging. This indicates substantial Si-O-Si bond breakage must occur during hydrothermal treatment with concomitant exchange of soluble alumina species to achieve a final crystalline product with a Si/Al ratio = 1.0-2.5. All syntheses were performed with molar compositions of Si/Al >= 2.0, which favors the formation of FAU; however, we observe that certain growth conditions are capable of creating a "false" environment (i.e., Al-rich regions) that favors LTA nucleation, followed by intercrystalline transformation to FAU. Time-resolved ex situ transmission electron microscopy of extracted solids during zeolite crystallization indicates that nucleation occurs on the exterior surface of precursors. This observation is consistent with our proposed hypothesis that posits exterior surfaces are more energetically favorable sites for nucleation compared to the particle interior on the basis of confinement effects. Given that numerous zeolite syntheses involve the initial formation of metastable precursors with heterogeneous composition, the pathway for nucleation proposed in this study may prove to be generalizable to other zeolite structures and related materials. C1 [Oleksiak, Matthew D.; Conato, Marlon T.; Rimer, Jeffrey D.] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. [Soltis, Jennifer A.; Penn, R. Lee] Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. [Conato, Marlon T.] Univ Philippines, Inst Chem, Quezon City 1101, Philippines. [Soltis, Jennifer A.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99354 USA. RP Rimer, JD (reprint author), Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. EM jrimer@central.uh.edu OI Soltis, Jennifer/0000-0002-7442-0193; Oleksiak, Matthew/0000-0002-0419-2092 FU National Science Foundation [1151098, 0957696]; Welch Foundation [E-1794]; U of MN Nanostructural Materials and Processes Program; NSF via MRSEC program; US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences FX We are grateful to Dr. Siva Chinta for useful discussions. This work was supported by funding from the National Science Foundation (Award 1151098), The Welch Foundation (Award E-1794), U of MN Nanostructural Materials and Processes Program, and the National Science Foundation (Award 0957696). Parts of this work were carried out in the Characterization Facility at the U of MN, a member of the NSF-funded Materials Research Facilities Network (www.mrfn.org) via the MRSEC program. Electron microscopy was partially supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. NR 71 TC 1 Z9 1 U1 24 U2 44 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD JUL 26 PY 2016 VL 28 IS 14 BP 4906 EP 4916 DI 10.1021/acs.chemmater.6b01000 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA DS2FE UT WOS:000380576700006 ER PT J AU Hasan, MM Dey, S Nafsin, N Mardinly, J Dholabhai, PP Uberuaga, BP Castro, RHR AF Hasan, Md M. Dey, Sanchita Nafsin, Nazia Mardinly, John Dholabhai, Pratik P. Uberuaga, Blas P. Castro, Ricardo H. R. TI Improving the Thermodynamic Stability of Aluminate Spinel Nanoparticles with Rare Earths SO CHEMISTRY OF MATERIALS LA English DT Article ID WATER-ADSORPTION MICROCALORIMETRY; NANOCRYSTALLINE DOPED CERIA; VACANCY FORMATION ENERGIES; REDUCING GRAIN-BOUNDARY; EFFECTIVE IONIC-RADII; MGAL2O4 SPINEL; ATOMISTIC SIMULATION; SOLUTE SEGREGATION; SURFACE SEGREGATION; HIGH-TEMPERATURES AB Surface energy is a key parameter to understand and predict the stability of catalysts. In this work, the surface energy of MgAl2O4, an important base material for catalyst support, was reduced by using dopants prone to form surface excess (surface segregation): Y3+, Gd3+, and La3+. The energy reduction was predicted by atomistic simulations of spinel surfaces and experimentally demonstrated by using microcalorimetry. The surface energy of undoped MgAl2O4 was directly measured as 1.65 +/- 0.04 J/m(2) and was reduced by adding 2 mol % of the dopants to 1.55 +/- 0.04 J/m(2) for Y-doping, 1.45 +/- 0.05 J/m(2) for Gd-doping, and 1.26 +/- 0.06 J/m(2) for La-doping. Atomistic simulations are qualitatively consistent with the experiments, reinforcing the link between the role of dopants in stabilizing the surface and the energy of segregation. Surface segregation was experimentally assessed using electron energy loss spectroscopy mapping in a scanning transmission electron microscopy image. The reduced energy resulted in coarsening inhibition for the doped samples and, hence, systematically smaller particle sizes (larger surface areas), meaning increased stability for catalytic applications. Moreover, both experiment and modeling reveal preferential dopant segregation to specific surfaces, which leads to the preponderance of {111} surface planes and suggests a strategy to enhance the area of desired surfaces in nanoparticles for better catalyst support activity. C1 [Hasan, Md M.; Dey, Sanchita; Nafsin, Nazia; Castro, Ricardo H. R.] Univ Calif Davis, Dept Mat Sci & Engn, Davis, CA 95616 USA. [Hasan, Md M.; Dey, Sanchita; Nafsin, Nazia; Castro, Ricardo H. R.] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. [Mardinly, John] Arizona State Univ, John Cowley Ctr HREM, LE CSSS, Tempe, AZ 85281 USA. [Dholabhai, Pratik P.; Uberuaga, Blas P.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Castro, RHR (reprint author), Univ Calif Davis, Dept Mat Sci & Engn, Davis, CA 95616 USA.; Castro, RHR (reprint author), Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. EM rhrcastro@ucdavis.edu FU U.S. Department of Energy [BES ER46795]; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; National Nuclear Security Administration of the (U.S.) Department of Energy [DE-AC52-06NA25396] FX R.H.R.C. would like to thank the U.S. Department of Energy, BES ER46795, for support of this work. B.P.U. acknowledges support by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the (U.S.) Department of Energy under Contract DE-AC52-06NA25396. NR 53 TC 0 Z9 0 U1 8 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 EI 1520-5002 J9 CHEM MATER JI Chem. Mat. PD JUL 26 PY 2016 VL 28 IS 14 BP 5163 EP 5171 DI 10.1021/acs.chemmater.6b02577 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA DS2FE UT WOS:000380576700035 ER PT J AU Lee, C Li, Y Lee, W Lee, Y Choi, J Kim, T Wang, C Gomez, ED Woo, HY Kim, BJ AF Lee, Changyeon Li, Yuxiang Lee, Wonho Lee, Youngmin Choi, Joonhyeong Kim, Taesu Wang, Cheng Gomez, Enrique D. Woo, Han Young Kim, Bumjoon J. TI Correlation between Phase-Separated Domain Sizes of Active Layer and Photovoltaic Performances in All-Polymer Solar Cells SO MACROMOLECULES LA English DT Article ID POWER CONVERSION EFFICIENCY; MOLECULAR-ORIENTATION; BULK HETEROJUNCTIONS; ELECTRON-TRANSPORT; BLEND MORPHOLOGY; ADDITIVE-FREE; ACCEPTOR; AGGREGATION; MOBILITY; DONOR AB The control of the bulk-heterojunction (BHJ) morphology in polymer/polymer blends remains a critical hurdle for optimizing all-polymer solar cells (all-PSCs). The relationship between donor/acceptor phase separation, domain size, and the resulting photovoltaic characteristics of PDFQx3T and P(NDI2OD-T2)-based all-PSCs was investigated. We varied the film-processing solvents (chloroform, chlorobenzene, o-dichlorobenzene, and p-xylene), thereby manipulating the phase separation of all-polymer blends with the domain size in the range of 30-300 nm. The different volatility and solubility of the solvents strongly influenced the aggregation of the polymers and the BHJ morphology of polymer blends. Domain sizes of all-polymer blends were closely correlated with the short-circuit current density (J(SC)) of the devices, while the open-circuit voltage (0.80 V) and fill factor (0.60) were unaffected. All-PSCs with the smallest domain size of similar to 30 nm in the active layer (using chloroform), which is commensurate with the domain size of highly efficient polymer/fullerene solar cells, had the highest J(SC) and power conversion efficiency of 5.11% due to large interfacial areas and efficient exciton separation. Our results suggest that the BHJ morphology was not fully optimized for most of the previous high-performance all-PSC systems, and their photovoltaic performance can be further improved by fine-engineering the film morphology, i.e., domain size, domain purity, and polymer packing structure. C1 [Lee, Changyeon; Lee, Wonho; Choi, Joonhyeong; Kim, Taesu; Kim, Bumjoon J.] Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, Daejeon 306701, South Korea. [Li, Yuxiang; Woo, Han Young] Korea Univ, Dept Chem, Seoul 136701, South Korea. [Lee, Youngmin; Gomez, Enrique D.] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. [Lee, Youngmin; Gomez, Enrique D.] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. [Wang, Cheng] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Kim, BJ (reprint author), Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, Daejeon 306701, South Korea.; Woo, HY (reprint author), Korea Univ, Dept Chem, Seoul 136701, South Korea.; Gomez, ED (reprint author), Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA.; Gomez, ED (reprint author), Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA. EM edg12@psu.edu; hywoo@korea.ac.kr; bumjoonkim@kaist.ac.kr RI Kim, Bumjoon J./C-1714-2011; Wang, Cheng/A-9815-2014 FU National Research Foundation - Korean Government [2012M3A6A7055540, 2015M1A2A2057506, 2015R1A2A1A15055605]; Research Projects of the KAIST-KUSTAR; CRH (Climate Change Research Hub) of KAIST; Office of Naval Research, United States [N000141410532] FX This research was supported by the National Research Foundation Grant (2012M3A6A7055540, 2015M1A2A2057506, and 2015R1A2A1A15055605), funded by the Korean Government. This research was supported by the Research Projects of the KAIST-KUSTAR and the CRH (Climate Change Research Hub) of KAIST. Y.L. and E.D.G. acknowledge funding from the Office of Naval Research, United States, under Contract N000141410532. NR 59 TC 4 Z9 4 U1 16 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD JUL 26 PY 2016 VL 49 IS 14 BP 5051 EP 5058 DI 10.1021/acs.macromol.6b01069 PG 8 WC Polymer Science SC Polymer Science GA DS2FG UT WOS:000380576900006 ER PT J AU Cai, ZX Li, LW Lo, WY Zhao, DL Wu, QH Zhang, N Su, YA Chen, W Yu, LP AF Cai, Zhengxu Li, Lianwei Lo, Wai-Yip Zhao, Donglin Wu, Qinghe Zhang, Na Su, Yu-An Chen, Wei Yu, Luping TI Controlled Self-Assembly of Cyclophane Amphiphiles: From 1D Nanofibers to Ultrathin 2D Topological Structures SO MACROMOLECULES LA English DT Article ID CONJUGATED DIBLOCK COPOLYMERS; COVALENT ORGANIC FRAMEWORKS; SUPRAMOLECULAR ASSEMBLIES; POLYMERS; NANOMATERIALS; RECOGNITION; ELECTRONICS; CHEMISTRY; TRANSPORT; OLIGOMERS AB A novel series of amphiphilic TC-PEG molecules were designed and synthesized based on the orthogonal cyclophane unit. These molecules were able to self-assemble from 1D nanofibers and nanobelts to 2D ultrathin nanosheets (3 nm thick) in a controlled way by tuning the length of PEG side chains. The special structure of the cyclophane moiety allowed control in construction of nanostructures through programmed noncovalent interactions (hydrophobic hydrophilic interaction and pi-pi interaction). The self-assembled nanostructures were characterized by combining real space imaging (TEM, SEM, and AFM) and reciprocal space scattering (GIWAXS) techniques. This unique supramolecular system may provide a new strategy for the design of materials with tunable nanomorphology and functionality. C1 [Cai, Zhengxu; Li, Lianwei; Lo, Wai-Yip; Zhao, Donglin; Wu, Qinghe; Zhang, Na; Yu, Luping] Univ Chicago, Dept Chem, 929 E 57th St, Chicago, IL 60637 USA. [Cai, Zhengxu; Li, Lianwei; Lo, Wai-Yip; Zhao, Donglin; Wu, Qinghe; Zhang, Na; Yu, Luping] Univ Chicago, James Franck Inst, 929 E 57th St, Chicago, IL 60637 USA. [Su, Yu-An; Chen, Wei] Argonne Natl Lab, Div Mat Sci, 9700 Cass Ave, Lemont, IL 60439 USA. [Chen, Wei] Univ Chicago, Inst Mol Engn, 5640 South Ellis Ave, Chicago, IL 60637 USA. RP Yu, LP (reprint author), Univ Chicago, Dept Chem, 929 E 57th St, Chicago, IL 60637 USA.; Yu, LP (reprint author), Univ Chicago, James Franck Inst, 929 E 57th St, Chicago, IL 60637 USA.; Chen, W (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 Cass Ave, Lemont, IL 60439 USA.; Chen, W (reprint author), Univ Chicago, Inst Mol Engn, 5640 South Ellis Ave, Chicago, IL 60637 USA. EM wchen@anl.gov; lupingyu@uchicago.edu RI Chen, Wei/G-6055-2011; Zhang, Na/J-8312-2016 OI Chen, Wei/0000-0001-8906-4278; Zhang, Na/0000-0001-7680-0504 FU NSF [DMR-1505130, DMR-1263006]; US Department of Energy, Office of Science, Materials Sciences and Engineering Division; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was mainly supported by NSF (DMR-1505130) and partially by NSF (DMR-1263006). This work also benefited from NSF MRSEC at the University of Chicago. W.C. gratefully acknowledges financial support from the US Department of Energy, Office of Science, Materials Sciences and Engineering Division. We also thank Dr. Joseph Strzalka and Dr. Zhang Jiang for the assistance with GIWAXS measurements. Use of the Advanced Photon Source (APS) at the Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract DE-AC02-06CH11357. NR 40 TC 0 Z9 0 U1 30 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD JUL 26 PY 2016 VL 49 IS 14 BP 5172 EP 5178 DI 10.1021/acs.macromol.6b00860 PG 7 WC Polymer Science SC Polymer Science GA DS2FG UT WOS:000380576900019 ER PT J AU Pesko, DM Webb, MA Jung, YY Zheng, Q Miller, TF Coates, GW Balsara, NP AF Pesko, Danielle M. Webb, Michael A. Jung, Yukyung Zheng, Qi Miller, Thomas F., III Coates, Geoffrey W. Balsara, Nitash P. TI Universal Relationship between Conductivity and Solvation-Site Connectivity in Ether-Based Polymer Electrolytes SO MACROMOLECULES LA English DT Article ID METATHESIS ADMET POLYMERIZATION; MOLECULAR-DYNAMICS SIMULATIONS; AMORPHOUS POLY(ETHYLENE OXIDE); RECHARGEABLE LITHIUM BATTERIES; BLOCK-COPOLYMER ELECTROLYTES; IONIC-CONDUCTIVITY; UNSATURATED POLYETHERS; POLY(PROPYLENE OXIDE); COMPUTER-SIMULATIONS; TRANSPORT AB We perform a joint experimental and computational study of ion transport properties in a systematic set of linear polyethers synthesized via acyclic diene metathesis (ADMET) polymerization. We measure ionic conductivity, sigma, and glass transition temperature, T-g, in mixtures of polymer and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) salt. While T-g is known to be an important factor in the ionic conductivity of polymer electrolytes, recent work indicates that the number and proximity of lithium ion solvation sites in the polymer also play an important role, but this effect has yet to be systematically investigated. Here, adding aliphatic linkers to a poly(ethylene oxide) (PEO) backbone lowers T-g and dilutes the polar groups; both factors influence ionic conductivity. To isolate these effects, we introduce a two-step normalization scheme. In the first step, Vogel-Tammann-Fulcher (VTF) fits are used to calculate a temperature-dependent reduced conductivity, sigma(r)(T), which is defined as the conductivity of the electrolyte at a fixed value of T - T-g. In the second step, we compute a nondimensional parameter f(exp), defined as the ratio of the reduced molar conductivity of the electrolyte of interest to that of a reference polymer (PEO) at a fixed salt concentration. We find that f(exp) depends only on oxygen mole fraction, x(0), and is to a good approximation independent of temperature and salt concentration. Molecular dynamics simulations are performed on neat polymers to quantify the occurrences of motifs that are similar to those obtained in the vicinity of isolated lithium ions. We show that f(exp) is a linear function of the simulation-derived metric of connectivity between solvation sites. From the relationship between sigma(r) and f(exp) we derive a universal equation that can be used to predict the conductivity of ether-based polymer electrolytes at any salt concentration and temperature. C1 [Pesko, Danielle M.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Webb, Michael A.; Miller, Thomas F., III] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Jung, Yukyung; Zheng, Qi; Coates, Geoffrey W.] Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. [Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Miller, TF (reprint author), CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA.; Coates, GW (reprint author), Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA.; Balsara, NP (reprint author), Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.; Balsara, NP (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM tfm@caltech.edu; gc39@cornell.edu; nbalsara@berkeley.edu OI Zheng, Qi/0000-0003-4886-7589 FU National Science Foundation under DMREF [NSF-CHE-1335486]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Resnick Sustainability Institute FX The authors gratefully acknowledge Zhen-Gang Wang for useful discussions. This research was supported by the National Science Foundation under DMREF Award NSF-CHE-1335486. DSC experiments were performed at the Molecular Foundry user facilities at Lawrence Berkeley National Laboratory supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. M.A.W. also acknowledges support from the Resnick Sustainability Institute NR 62 TC 2 Z9 2 U1 41 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 EI 1520-5835 J9 MACROMOLECULES JI Macromolecules PD JUL 26 PY 2016 VL 49 IS 14 BP 5244 EP 5255 DI 10.1021/acs.macromol.6b00851 PG 12 WC Polymer Science SC Polymer Science GA DS2FG UT WOS:000380576900026 ER PT J AU Khan, S Conte, I Carter, T Bayer, KU Molloy, JE AF Khan, Shahid Conte, Ianina Carter, Tom Bayer, K. Ulrich Molloy, Justin E. TI Multiple CaMKII Binding Modes to the Actin Cytoskeleton Revealed by Single-Molecule Imaging SO BIOPHYSICAL JOURNAL LA English DT Article ID PROTEIN-KINASE-II; LONG-TERM POTENTIATION; DENDRITIC SPINES; AUTONOMOUS CAMKII; ALPHA-ACTININ; FLUORESCENCE MICROSCOPY; PHOTOBLEACHING RECOVERY; CYTOPLASMIC VISCOSITY; SYNAPTIC PLASTICITY; HIPPOCAMPAL-NEURONS AB Localization of the Ca2+/calmodulin-dependent protein kinase II (CaMKII) to dendritic spine synapses is determined in part by the actin cytoskeleton. We determined binding of GFP-tagged CaMKII to tag-RFP-labeled actin cytoskeleton within live cells using total internal reflection fluorescence microscopy and single-molecule tracking. Stepwise photobleaching showed that CaMKII formed oligomeric complexes. Photoactivation experiments demonstrated that diffusion out of the evanescent field determined the track lifetimes. Latrunculin treatment triggered a coupled loss of actin stress fibers and the colocalized, long-lived CaMKII tracks. The CaMKII alpha (alpha) isoform, which was previously thought to lack F-actin interactions, also showed binding, but this was threefold weaker than that observed for CaMKII beta (beta). The beta E' splice variant bound more weakly than alpha, showing that binding by beta depends critically on the interdomain linker. The mutations beta T287D and alpha T286D, which mimic autophosphorylation states, also abolished F-actin binding. Autophosphorylation triggers autonomous CaMKII activity, but does not impair GluN2B binding, another important synaptic protein interaction of CaMKII. The CaMKII inhibitor tatCN21 or CaMKII mutations that inhibit GluN2B association by blocking binding of ATP (beta K43R and alpha K42M) or Ca2+/calmodulin (beta A303R) had no effect on the interaction with F-actin. These results provide the first rationale for the reduced synaptic spine localization of the alpha T286D mutant, indicating that transient F-actin binding contributes to the synaptic localization of the CaMKIIa isoform. The track lifetime distributions had a stretched exponential form consistent with a heterogeneously diffusing population. This heterogeneity suggests that CaMKII adopts different F-actin binding modes, which is most easily rationalized by multiple subunit contacts between the CaMKII dodecamer and the F-actin cytoskeleton that stabilize the initial weak (micromolar) monovalent interaction. C1 [Khan, Shahid] Lawrence Berkeley Natl Lab, Mol Biol Consortium, Berkeley, CA 94720 USA. [Conte, Ianina] St Georges Univ London, Cardiovasc & Cell Sci Res Inst, London, England. [Carter, Tom] St Georges Univ London, Cell Biol & Genet, London, England. [Bayer, K. Ulrich] Univ Colorado Denver, Dept Pharmacol, Aurora, CO USA. [Molloy, Justin E.] Francis Crick Inst, Mill Hill Lab, London, England. RP Khan, S (reprint author), Lawrence Berkeley Natl Lab, Mol Biol Consortium, Berkeley, CA 94720 USA. EM khan@mbc-als.org FU Royal Society Collaborative Exchange [U1175]; National Institutes of Health [R01-NS081248]; Molecular Biology Consortium; Cancer Research UK; UK Medical Research Council; Wellcome Trust FX This work was supported by grants from the Royal Society Collaborative Exchange (grant U1175), National Institutes of Health (grant R01-NS081248 to K.U.B.), Molecular Biology Consortium (S.K.), Francis Crick Institute which receives its core funding from Cancer Research UK, the UK Medical Research Council, and the Wellcome Trust (J.E.M.). The University of Colorado holds the patent rights for tatCN21, its derivatives, and its uses (PCT/US08/077934, Compositions and Methods for Improved CaMKII Inhibitors and Uses Thereof). K.U.B. is the owner of Neurexus Therapeutics, LLC. NR 85 TC 0 Z9 0 U1 10 U2 12 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 EI 1542-0086 J9 BIOPHYS J JI Biophys. J. PD JUL 26 PY 2016 VL 111 IS 2 BP 395 EP 408 DI 10.1016/j.bpj.2016.06.007 PG 14 WC Biophysics SC Biophysics GA DS1QO UT WOS:000380371500016 PM 27463141 ER PT J AU Gallagher, JE Wilkie, AA Cordner, A Hudgens, EE Ghio, AJ Birch, RJ Wade, TJ AF Gallagher, Jane E. Wilkie, Adrien A. Cordner, Alissa Hudgens, Edward E. Ghio, Andrew J. Birch, Rebecca J. Wade, Timothy J. TI Factors associated with self-reported health: implications for screening level community-based health and environmental studies SO BMC PUBLIC HEALTH LA English DT Article DE Self-reported health; Screening level health assessment; Clinical measures; Metal mixtures analyses; NHANES ID CELL DISTRIBUTION WIDTH; RATED HEALTH; LIFE-STYLE; SOCIOECONOMIC-STATUS; CUMULATIVE RISK; GENERAL HEALTH; US ADULTS; MORTALITY; INDEX; DETERMINANTS AB Background: Advocates for environmental justice, local, state, and national public health officials, exposure scientists, need broad-based health indices to identify vulnerable communities. Longitudinal studies show that perception of current health status predicts subsequent mortality, suggesting that self-reported health (SRH) may be useful in screening-level community assessments. This paper evaluates whether SRH is an appropriate surrogate indicator of health status by evaluating relationships between SRH and sociodemographic, lifestyle, and health care factors as well as serological indicators of nutrition, health risk, and environmental exposures. Methods: Data were combined from the 2003-2006 National Health and Nutrition Examination Surveys for 1372 nonsmoking 20-50 year olds. Ordinal and binary logistic regression was used to estimate odds ratios and 95 % confidence intervals of reporting poorer health based on measures of nutrition, health condition, environmental contaminants, and sociodemographic, health care, and lifestyle factors. Results: Poorer SRH was associated with several serological measures of nutrition, health condition, and biomarkers of toluene, cadmium, lead, and mercury exposure. Race/ethnicity, income, education, access to health care, food security, exercise, poor mental and physical health, prescription drug use, and multiple health outcome measures (e.g., diabetes, thyroid problems, asthma) were also associated with poorer SRH. Conclusion: Based on the many significant associations between SRH and serological assays of health risk, sociodemographic measures, health care access and utilization, and lifestyle factors, SRH appears to be a useful health indicator with potential relevance for screening level community-based health and environmental studies. C1 [Gallagher, Jane E.; Hudgens, Edward E.; Ghio, Andrew J.; Wade, Timothy J.] US EPA, Environm Publ Hlth Div, Natl Hlth & Environm Effects Res Lab, Mail Drop 58C, Res Triangle Pk, NC 27711 USA. [Wilkie, Adrien A.] US EPA, Oak Ridge Inst Sci & Educ, Environm Publ Hlth Div, Natl Hlth & Environm Effects Res Lab, Mail Drop 58C, Res Triangle Pk, NC 27711 USA. [Cordner, Alissa] Whitman Coll, Dept Sociol, 345 Boyer Ave, Walla Walla, WA 99362 USA. [Birch, Rebecca J.] Westat Corp, 1600 Res Blvd, Rockville, MD 20850 USA. RP Wade, TJ (reprint author), US EPA, Environm Publ Hlth Div, Natl Hlth & Environm Effects Res Lab, Mail Drop 58C, Res Triangle Pk, NC 27711 USA. EM Wade.Tim@epa.gov FU National Health and Environmental Effects Research Laboratory [EP-D-12-050]; National Center for Computational Toxicology within U.S. Environmental Protection Agency (EPA) Office of Research and Development FX This study was funded by the National Health and Environmental Effects Research Laboratory (contract number EP-D-12-050) and the National Center for Computational Toxicology within the U.S. Environmental Protection Agency (EPA) Office of Research and Development. This project was supported in part by an appointment to the Research Participation Program at the Office of Research and Development, U.S. EPA, administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and EPA. NR 50 TC 0 Z9 0 U1 8 U2 8 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2458 J9 BMC PUBLIC HEALTH JI BMC Public Health PD JUL 26 PY 2016 VL 16 AR 640 DI 10.1186/s12889-016-3321-5 PG 15 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA DR9QI UT WOS:000380230800007 PM 27460934 ER PT J AU Geng, HF Tran-Gyamfi, MB Lane, TW Sale, KL Yu, ET AF Geng, Haifeng Tran-Gyamfi, Mary B. Lane, Todd W. Sale, Kenneth L. Yu, Eizadora T. TI Changes in the Structure of the Microbial Community Associated with Nannochloropsis salina following Treatments with Antibiotics and Bioactive Compounds SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE correlation network; microbiota; algae ID PHAEOBACTER-GALLAECIENSIS; CLASS PROTEOBACTERIA; BIOLOGICAL NETWORKS; BIOFILM FORMATION; MARINE-BACTERIA; GROWTH; SEA; PHYTOPLANKTON; VISUALIZATION; CENTRALITY AB Open microalgae cultures host a myriad of bacteria, creating a complex system of interacting species that influence algal growth and health. Many algal microbiota studies have been conducted to determine the relative importance of bacterial taxa to algal culture health and physiological states, but these studies have not characterized the interspecies relationships in the microbial communities. We subjected Nanochroloropsis salina cultures to multiple chemical treatments (antibiotics and quorum sensing compounds) and obtained dense time-series data on changes to the microbial community using 16S gene amplicon metagenomic sequencing (21,029,577 reads for 23 samples) to measure microbial taxa-taxa abundance correlations. Short-term treatment with antibiotics resulted in substantially larger shifts in the microbiota structure compared to changes observed following treatment with signaling compounds and glucose. We also calculated operational taxonomic unit (OTU) associations and generated OTU correlation networks to provide an overview of possible bacterial OTU interactions. This analysis identified five major cohesive modules of microbiota with similar co-abundance profiles across different chemical treatments. The Eigengenes of OTU modules were examined for correlation with different external treatment factors. This correlation-based analysis revealed that culture age (time) and treatment types have primary effects on forming network modules and shaping the community structure. Additional network analysis detected Alteromonadeles and Alphaproteobacteria as having the highest centrality, suggesting these species are keystone OTUs in the microbial community. Furthermore, we illustrated that the chemical tropodithietic acid, which is secreted by several species in the Alphaproteobacteria taxon, is able to drastically change the structure of the microbiota within 3 h. Taken together, these results provide valuable insights into the structure of the microbiota associated with N. salina cultures and how these structures change in response to chemical perturbations. C1 [Geng, Haifeng; Lane, Todd W.; Yu, Eizadora T.] Sandia Natl Labs, Dept Syst Biol, Livermore, CA 94550 USA. [Tran-Gyamfi, Mary B.; Sale, Kenneth L.] Sandia Natl Labs, Dept Biomass Sci & Convers Technol, Livermore, CA USA. [Yu, Eizadora T.] Univ Philippines Diliman, Inst Chem, Quezon City, Philippines. RP Sale, KL (reprint author), Sandia Natl Labs, Dept Biomass Sci & Convers Technol, Livermore, CA USA. EM klsale@sandia.gov FU Laboratory Directed Research and Development Program at Sandia National Laboratories [DE-AC04-94AL85000]; U.S. Department of Energy (DOE) Genomic Science Program [SCW1039] FX This work was supported by the Laboratory Directed Research and Development Program at Sandia National Laboratories, which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. Additional funding was provided by the U.S. Department of Energy (DOE) Genomic Science Program under contract SCW1039. NR 65 TC 0 Z9 0 U1 28 U2 34 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JUL 26 PY 2016 VL 7 AR 1155 DI 10.3389/fmicb.2016.01155 PG 13 WC Microbiology SC Microbiology GA DS1IO UT WOS:000380349300001 PM 27507966 ER PT J AU Abdullah, SU Alexeev, Y Johnson, PE Rigby, NM Mackie, AR Dhaliwal, B Mills, ENC AF Abdullah, Syed Umer Alexeev, Yuri Johnson, Philip E. Rigby, Neil M. Mackie, Alan R. Dhaliwal, Balvinder Mills, E. N. Clare TI Ligand binding to an Allergenic Lipid Transfer Protein Enhances Conformational Flexibility resulting in an Increase in Susceptibility to Gastroduodenal Proteolysis SO SCIENTIFIC REPORTS LA English DT Article ID VITRO GASTROINTESTINAL DIGESTION; MULTIPLE SEQUENCE ALIGNMENTS; PRU P 1; MAJOR ALLERGEN; FOOD ALLERGENS; HYDROPHOBIC CAVITY; MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURE; BAKERS ASTHMA; STABILITY AB Non-specific lipid transfer proteins (LTPs) are a family of lipid-binding molecules that are widely distributed across flowering plant species, many of which have been identified as allergens. They are highly resistant to simulated gastroduodenal proteolysis, a property that may play a role in determining their allergenicity and it has been suggested that lipid binding may further increase stability to proteolysis. It is demonstrated that LTPs from wheat and peach bind a range of lipids in a variety of conditions, including those found in the gastroduodenal tract. Both LTPs are initially cleaved during gastroduodenal proteolysis at three major sites between residues 39-40, 56-57 and 79-80, with wheat LTP being more resistant to cleavage than its peach ortholog. The susceptibility of wheat LTP to proteolyic cleavage increases significantly upon lipid binding. This enhanced digestibility is likely to be due to the displacement of Tyr79 and surrounding residues from the internal hydrophobic cavity upon ligand binding to the solvent exposed exterior of the LTP, facilitating proteolysis. Such knowledge contributes to our understanding as to how resistance to digestion can be used in allergenicity risk assessment of novel food proteins, including GMOs. C1 [Abdullah, Syed Umer; Alexeev, Yuri; Johnson, Philip E.; Rigby, Neil M.; Mackie, Alan R.; Mills, E. N. Clare] Inst Food Res, Norwich Res Pk, Colney NR4 7UA, Norfolk, England. [Johnson, Philip E.; Dhaliwal, Balvinder; Mills, E. N. Clare] Univ Manchester, Inst Inflammat & Repair, Manchester Acad Hlth Sci Ctr, 131 Princess St, Manchester M1 7DN, Lancs, England. [Johnson, Philip E.; Dhaliwal, Balvinder; Mills, E. N. Clare] Univ Manchester, Manchester Inst Biotechnol, 131 Princess St, Manchester M1 7DN, Lancs, England. [Alexeev, Yuri] Argonne Natl Lab, Argonne Leadership Comp Facil, Argonne, IL 60439 USA. [Johnson, Philip E.] Univ Nebraska, Dept Food Sci & Technol, Food Allergy Res & Resource Program, 266 Food Innovat Ctr,1901 North 21st St, Lincoln, NE 68588 USA. RP Dhaliwal, B (reprint author), Univ Manchester, Inst Inflammat & Repair, Manchester Acad Hlth Sci Ctr, 131 Princess St, Manchester M1 7DN, Lancs, England.; Dhaliwal, B (reprint author), Univ Manchester, Manchester Inst Biotechnol, 131 Princess St, Manchester M1 7DN, Lancs, England. EM balvinder.dhaliwal@manchester.ac.uk OI Mackie, Alan/0000-0002-5681-0593 FU DOE Office of Science User Facility [DE-AC02-06CH11357]; BBSRC institute strategic programme grant [BBS/E/F/00042204]; Higher Education Commission, Pakistan FX The authors thank Andrew Watson for help with preparing Figure 3(C) and fruitful discussions. This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357. The work was funded by the BBSRC institute strategic programme grant to IFR BBS/E/F/00042204. Syed Umer Abdullah was supported by a grant from the Higher Education Commission, Pakistan. NR 64 TC 0 Z9 0 U1 10 U2 11 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 26 PY 2016 VL 6 AR 30279 DI 10.1038/srep30279 PG 12 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9FP UT WOS:000380202800001 PM 27458082 ER PT J AU Johansson, KO Dillstrom, T Monti, M El Gabaly, F Campbell, MF Schrader, PE Popolan-Vaida, DM Richards-Henderson, NK Wilson, KR Violi, A Michelsen, HA AF Johansson, K. Olof Dillstrom, Tyler Monti, Matteo El Gabaly, Farid Campbell, Matthew F. Schrader, Paul E. Popolan-Vaida, Denisia M. Richards-Henderson, Nicole K. Wilson, Kevin R. Violi, Angela Michelsen, Hope A. TI Formation and emission of large furans and oxygenated hydrocarbons from flames SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE furans; oxygenated hydrocarbons; soot; organic carbon; black carbon ID POLYCYCLIC AROMATIC-HYDROCARBONS; LAMINAR PREMIXED FLAMES; DIFFUSION FLAME; WOOD COMBUSTION; DIESEL-ENGINE; AB-INITIO; E-WASTE; SOOT; DIOXINS; GROWTH AB Many oxygenated hydrocarbon species formed during combustion, such as furans, are highly toxic and detrimental to human health and the environment. These species may also increase the hygroscopicity of soot and strongly influence the effects of soot on regional and global climate. However, large furans and associated oxygenated species have not previously been observed in flames, and their formation mechanism and interplay with polycyclic aromatic hydrocarbons (PAHs) are poorly understood. We report on a synergistic computational and experimental effort that elucidates the formation of oxygen-embedded compounds, such as furans and other oxygenated hydrocarbons, during the combustion of hydrocarbon fuels. We used ab initio and probabilistic computational techniques to identify low-barrier reaction mechanisms for the formation of large furans and other oxygenated hydrocarbons. We used vacuum-UV photoionization aerosol mass spectrometry and X-ray photoelectron spectroscopy to confirm these predictions. We show that furans are produced in the high-temperature regions of hydrocarbon flames, where they remarkably survive and become the main functional group of oxygenates that incorporate into incipient soot. In controlled flame studies, we discovered similar to 100 oxygenated species previously unaccounted for. We found that large alcohols and enols act as precursors to furans, leading to incorporation of oxygen into the carbon skeletons of PAHs. Our results depart dramatically from the crude chemistry of carbon-and oxygen-containing molecules previously considered in hydrocarbon formation and oxidation models and spearhead the emerging understanding of the oxidation chemistry that is critical, for example, to control emissions of toxic and carcinogenic combustion by-products, which also greatly affect global warming. C1 [Johansson, K. Olof; Campbell, Matthew F.; Schrader, Paul E.; Michelsen, Hope A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. [Dillstrom, Tyler; Violi, Angela] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Monti, Matteo] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [El Gabaly, Farid] Sandia Natl Labs, Mat Phys, Livermore, CA 94550 USA. [Popolan-Vaida, Denisia M.; Richards-Henderson, Nicole K.; Wilson, Kevin R.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Popolan-Vaida, Denisia M.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Violi, Angela] Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA. [Violi, Angela] Univ Michigan, Dept Macromol Sci & Engn, Ann Arbor, MI 48109 USA. [Violi, Angela] Univ Michigan, Biophys Program, Ann Arbor, MI 48109 USA. RP Michelsen, HA (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA.; Violi, A (reprint author), Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.; Violi, A (reprint author), Univ Michigan, Dept Chem Engn, Ann Arbor, MI 48109 USA.; Violi, A (reprint author), Univ Michigan, Dept Macromol Sci & Engn, Ann Arbor, MI 48109 USA.; Violi, A (reprint author), Univ Michigan, Biophys Program, Ann Arbor, MI 48109 USA. EM avioli@umich.edu; hamiche@sandia.gov OI Monti, Matteo/0000-0003-3595-4472 FU US Department of Energy (DOE) Office of Basic Energy Sciences (BES), Single Investigator Small Group Research Grant [DE-SC0002619]; Alexander von Humboldt Foundation Feodor Lynen Fellowship; DOE BES, the Division of Chemical Sciences, Geosciences, and Biosciences; DOE's National Nuclear Security Administration [DE-AC04-94-AL85000]; DOE BES [DE-AC02-05CH11231] FX We thank Prof. Barbara Finlayson-Pitts for providing valuable input on an earlier version of our manuscript and to Dr. Paolo Elvati for insightful discussions. This work was funded by the US Department of Energy (DOE) Office of Basic Energy Sciences (BES), Single Investigator Small Group Research Grant DE-SC0002619 (to A.V., T.D., and K.O.J.), and an Alexander von Humboldt Foundation Feodor Lynen Fellowship (to D.M.P.-V.). Experimental expenses, including burner design and construction, were funded under DOE BES, the Division of Chemical Sciences, Geosciences, and Biosciences (M.F.C., P.E.S., and H.A.M.). Aerosol mass spectrometry measurements were performed at the Advanced Light Source (ALS) at Lawrence Berkeley National Laboratory. The ALS, N.K.R.-H., and K.R.W. were supported by the Director, DOE BES, under Contract DE-AC02-05CH11231. Experimental preparations and XPS measurements were performed at Sandia National Laboratories, which is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the DOE's National Nuclear Security Administration under Contract DE-AC04-94-AL85000. NR 55 TC 2 Z9 2 U1 11 U2 28 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 26 PY 2016 VL 113 IS 30 BP 8374 EP 8379 DI 10.1073/pnas.1604772113 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS1HJ UT WOS:000380346200033 PM 27410045 ER PT J AU Muhleip, AW Joos, F Wigge, C Frangakis, AS Kuhlbrandt, W Davies, KM AF Muehleip, Alexander W. Joos, Friederike Wigge, Christoph Frangakis, Achilleas S. Kuehlbrandt, Werner Davies, Karen M. TI Helical arrays of U-shaped ATP synthase dimers form tubular cristae in ciliate mitochondria SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE cryoelectron microscopy; subtomogram averaging; Paramecium; macromolecular organization; serial block face imaging ID YEAST F1FO-ATP SYNTHASE; C-SUBUNIT OLIGOMER; BOVINE HEART-MITOCHONDRIA; ELECTRON-MICROSCOPY; CRYOELECTRON TOMOGRAPHY; MOLECULAR ARCHITECTURE; INNER-MEMBRANE; ORGANIZATION; ROTATION; COMPLEX AB F1Fo-ATP synthases are universal energy-converting membrane protein complexes that synthesize ATP from ADP and inorganic phosphate. In mitochondria of yeast and mammals, the ATP synthase forms V-shaped dimers, which assemble into rows along the highly curved ridges of lamellar cristae. Using electron cryotomography and subtomogram averaging, we have determined the in situ structure and organization of the mitochondrial ATP synthase dimer of the ciliate Paramecium tetraurelia. The ATP synthase forms U-shaped dimers with parallel monomers. Each complex has a prominent intracrista domain, which links the c-ring of one monomer to the peripheral stalk of the other. Close interaction of intracrista domains in adjacent dimers results in the formation of helical ATP synthase dimer arrays, which differ from the loose dimer rows in all other organisms observed so far. The parameters of the helical arrays match those of the cristae tubes, suggesting the unique features of the P. tetraurelia ATP synthase are directly responsible for generating the helical tubular cristae. We conclude that despite major structural differences between ATP synthase dimers of ciliates and other eukaryotes, the formation of ATP synthase dimer rows is a universal feature of mitochondria and a fundamental determinant of cristae morphology. C1 [Muehleip, Alexander W.; Joos, Friederike; Kuehlbrandt, Werner; Davies, Karen M.] Max Planck Inst Biophys, Dept Struct Biol, D-60438 Frankfurt, Germany. [Wigge, Christoph; Frangakis, Achilleas S.] Goethe Univ Frankfurt, Buchmann Inst Mol Life Sci, D-60438 Frankfurt, Germany. [Wigge, Christoph; Frangakis, Achilleas S.] Goethe Univ Frankfurt, Inst Biophys, D-60438 Frankfurt, Germany. [Wigge, Christoph] Simons Electron Microscopy Ctr, New York Struct Biol Ctr, Natl Resource Automated Mol Microscopy, New York, NY 10027 USA. [Davies, Karen M.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrat Bioimaging Div, Berkeley, CA 94720 USA. [Davies, Karen M.] Univ Calif Berkeley, Dept Mol & Cellular Biol, Berkeley, CA 94720 USA. RP Kuhlbrandt, W; Davies, KM (reprint author), Max Planck Inst Biophys, Dept Struct Biol, D-60438 Frankfurt, Germany.; Davies, KM (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrat Bioimaging Div, Berkeley, CA 94720 USA.; Davies, KM (reprint author), Univ Calif Berkeley, Dept Mol & Cellular Biol, Berkeley, CA 94720 USA. EM kuehlbrandt@biophys.mpg.de; KMDavies@lbl.gov OI Davies, Karen/0000-0002-3207-9337; Muhleip, Alexander/0000-0002-1877-2282 FU Cluster of Excellence Frankfurt "Macromolecular Complexes" - the Deutsche Forschungsgemeinschaft; Max Planck Society; European research council starting grant FX We thank Deryck Mills for maintenance of electron microscopes and Ozkan Yildiz and Juan Francisco Castillo Hernandez for computer support. The work was supported by the Max Planck Society, the Cluster of Excellence Frankfurt "Macromolecular Complexes" funded by the Deutsche Forschungsgemeinschaft (K.M.D. and W.K.), and C.W. was supported by a European research council starting grant (to A.S.F.). NR 53 TC 2 Z9 2 U1 3 U2 7 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 26 PY 2016 VL 113 IS 30 BP 8442 EP 8447 DI 10.1073/pnas.1525430113 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS1HJ UT WOS:000380346200045 PM 27402755 ER PT J AU Velasquez, C Cheng, ED Shuda, M Lee-Oesterreich, PJ von Strandmann, LP Gritsenko, MA Jacobs, JM Moore, PS Chang, Y AF Velasquez, Celestino Cheng, Erdong Shuda, Masahiro Lee-Oesterreich, Paula J. von Strandmann, Lisa Pogge Gritsenko, Marina A. Jacobs, Jon M. Moore, Patrick S. Chang, Yuan TI Mitotic protein kinase CDK1 phosphorylation of mRNA translation regulator 4E-BP1 Ser83 may contribute to cell transformation SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE 4E-BP; cyclin-dependent kinase 1; cap-dependent translation; mitosis; Merkel cell polyomavirus ID FACTOR 4E-BINDING PROTEIN-1; DEPENDENT PHOSPHORYLATION; C-TERMINUS; PHAS-I; INITIATION; REPRESSOR; BINDING; MECHANISM; RAPAMYCIN; EIF4E AB Mammalian target of rapamycin (mTOR)-directed eukaryotic translation initiation factor 4E-binding protein 1 (4E-BP1) phosphorylation promotes cap-dependent translation and tumorigenesis. During mitosis, cyclin-dependent kinase 1 (CDK1) substitutes for mTOR and fully phosphorylates 4E-BP1 at canonical sites (T37, T46, S65, and T70) and the noncanonical S83 site, resulting in a mitosis-specific hyperphosphorylated delta isoform. Colocalization studies with a phospho-S83 specific antibody indicate that 4E-BP1 S83 phosphorylation accumulates at centrosomes during prophase, peaks at metaphase, and decreases through telophase. Although S83 phosphorylation of 4E-BP1 does not affect general cap-dependent translation, expression of an alanine substitution mutant 4E-BP1.S83A partially reverses rodent cell transformation induced by Merkel cell polyomavirus small T antigen viral oncoprotein. In contrast to inhibitory mTOR 4E-BP1 phosphorylation, these findings suggest that mitotic CDK1-directed phosphorylation of delta-4E-BP1 may yield a gain of function, distinct from translation regulation, that may be important in tumorigenesis and mitotic centrosome function. C1 [Velasquez, Celestino; Cheng, Erdong; Shuda, Masahiro; Lee-Oesterreich, Paula J.; von Strandmann, Lisa Pogge; Moore, Patrick S.; Chang, Yuan] Univ Pittsburgh, Inst Canc, Canc Virol Program, Pittsburgh, PA 15213 USA. [Gritsenko, Marina A.; Jacobs, Jon M.] Pacific Northwest Natl Lab, Biol Sci Div, Biol Syst Anal & Mass Spectrometry, Richland, WA 99352 USA. RP Moore, PS; Chang, Y (reprint author), Univ Pittsburgh, Inst Canc, Canc Virol Program, Pittsburgh, PA 15213 USA. EM psm9@pitt.edu; yc70@pitt.edu RI Moore, Patrick/F-3960-2011; Chang, Yuan/F-4146-2011 OI Moore, Patrick/0000-0002-8132-858X; FU NIH National Cancer Institute [R01CA136806, CA136363, CA170354, 1R35CA197463-01]; American Cancer Society professorships; NIH [P30CA047904]; Pennsylvania Department of Health; NIH National Institute of General Medical Sciences [GM103493]; W.R. Wiley Environmental Molecular Science Laboratory; US Department of Energy [DE-AC05-76RLO-1830] FX We thank Ornette Coleman and Ann Southam for help in preparing the manuscript. This work was supported by NIH National Cancer Institute Grants R01CA136806, CA136363, CA170354, and 1R35CA197463-01 and American Cancer Society professorships to Y.C. and P.S.M. This project used the University of Pittsburgh Cancer Institute Cytometry Facility and LI-COR Imaging Facility, supported in part by NIH Grant P30CA047904. This project is funded, in part, under a grant with the Pennsylvania Department of Health. Portions of this research were supported by the NIH National Institute of General Medical Sciences (GM103493) and the W.R. Wiley Environmental Molecular Science Laboratory. Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the US Department of Energy under Contract DE-AC05-76RLO-1830. NR 48 TC 0 Z9 0 U1 1 U2 5 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 26 PY 2016 VL 113 IS 30 BP 8466 EP 8471 DI 10.1073/pnas.1607768113 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS1HJ UT WOS:000380346200049 PM 27402756 ER PT J AU Allen, MR Fernandez, SJ Fu, JS Olama, MM AF Allen, Melissa R. Fernandez, Steven J. Fu, Joshua S. Olama, Mohammed M. TI Impacts of climate change on sub-regional electricity demand and distribution in the southern United States SO NATURE ENERGY LA English DT Article ID US AB High average temperatures lead to high regional electricity demand for cooling buildings, and large populations generally require more aggregate electricity than smaller ones do. Thus, future global climate and population changes will present regional infrastructure challenges regarding changing electricity demand. However, without spatially explicit representation of this demand or the ways in which it might change at the neighbourhood scale, it is difficult to determine which electricity service areas are most vulnerable and will be most affected by these changes. Here we show that detailed projections of changing local electricity demand patterns are viable and important for adaptation planning at the urban level in a changing climate. Employing high-resolution and spatially explicit tools, we find that electricity demand increases caused by temperature rise have the greatest impact over the next 40 years in areas serving small populations, and that large population influx stresses any affected service area, especially during peak demand. C1 [Allen, Melissa R.; Olama, Mohammed M.] Oak Ridge Natl Lab, Computat Sci & Engn Div, One Bethel Valley Rd,POB 2008 MS-6017, Oak Ridge, TN 37831 USA. [Fernandez, Steven J.; Fu, Joshua S.] Univ Tennessee, Dept Civil & Environm Engn, 325 John D Tickle Bldg,851 Neyland Dr, Knoxville, TN 37996 USA. [Fu, Joshua S.] Oak Ridge Natl Lab, Comp Sci & Math Div, One Bethel Valley Rd,POB 2008 MS-6017, Oak Ridge, TN 37831 USA. RP Allen, MR (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, One Bethel Valley Rd,POB 2008 MS-6017, Oak Ridge, TN 37831 USA. EM allenmr@ornl.gov NR 41 TC 3 Z9 3 U1 2 U2 2 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2058-7546 J9 NAT ENERGY JI Nat. Energy PD JUL 25 PY 2016 VL 1 AR 16103 DI 10.1038/NENERGY.2016.103 PG 9 WC Energy & Fuels; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA EK8NA UT WOS:000394179400001 ER PT J AU Zhu, Z Kushima, A Yin, ZY Qi, L Amine, K Lu, J Li, J AF Zhu, Zhi Kushima, Akihiro Yin, Zongyou Qi, Lu Amine, Khalil Lu, Jun Li, Ju TI Anion-redox nanolithia cathodes for Li-ion batteries SO NATURE ENERGY LA English DT Article ID LI-O-2 BATTERIES; LITHIUM SUPEROXIDE; OXYGEN BATTERY; DISPROPORTIONATION; LINI0.5MN1.5O4; CAPACITY; MOBILITY AB The development of lithium-air batteries is plagued by a high potential gap (>1.2 V) between charge and discharge, and poor cyclability due to the drastic phase change of O-2 (gas) and Ox- (condensed phase) at the cathode during battery operations. Here we report a cathode consisting of nanoscale amorphous lithia (nanolithia) confined in a cobalt oxide, enabling charge/discharge between solid Li2O/Li2O2/LiO2 without any gas evolution. The cathode has a theoretical capacity of 1,341 Ah kg(-1), a mass density exceeding 2.2 g cm(-3), and a practical discharge capacity of 587 Ah kg(-1) at 2.55V versus Li/Li+. It also displays stable cycling performance (only 1.8% loss after 130 cycles in lithium-matched full-cell tests against Li4Ti5O12 anode), as well as a round-trip overpotential of only 0.24V. Interestingly, the cathode is automatically protected from O-2 gas release and overcharging through the shuttling of self-generated radical species soluble in the carbonate electrolyte. C1 [Zhu, Zhi; Kushima, Akihiro; Yin, Zongyou; Li, Ju] MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Zhu, Zhi; Kushima, Akihiro; Yin, Zongyou; Li, Ju] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Qi, Lu] Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China. [Amine, Khalil; Lu, Jun] Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Li, J (reprint author), MIT, Dept Nucl Sci & Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.; Li, J (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA.; Qi, L (reprint author), Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China.; Lu, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM qilu@pku.edu.cn; junlu@anl.gov; liju@mit.edu RI Li, Ju/A-2993-2008; Kushima, Akihiro/H-2347-2011 OI Li, Ju/0000-0002-7841-8058; FU NSF [DMR-1410636]; US Department of Energy from the Vehicle Technologies Office, Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE) [DE-AC0206CH11357] FX We acknowledge financial support by NSF DMR-1410636. We thank Z. Wang for assistance with TEM measurements and analysis. We also thank H. Yao for help with the NMR data analysis and layout of the figures. This work was also partially supported by the US Department of Energy under Contract DE-AC0206CH11357 from the Vehicle Technologies Office, Department of Energy, Office of Energy Efficiency and Renewable Energy (EERE). NR 32 TC 7 Z9 7 U1 7 U2 7 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2058-7546 J9 NAT ENERGY JI Nat. Energy PD JUL 25 PY 2016 VL 1 AR 16111 DI 10.1038/NENERGY.2016.111 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA EK8NM UT WOS:000394180600001 ER PT J AU Melzer, D Xu, PH Hartmann, D Zhu, YY Browning, ND Sanchez-Sanchez, M Lercher, JA AF Melzer, Daniel Xu, Pinghong Hartmann, Daniela Zhu, Yuanyuan Browning, Nigel D. Sanchez-Sanchez, Maricruz Lercher, Johannes A. TI Atomic-Scale Determination of Active Facets on the MoVTeNb Oxide M1 Phase and Their Intrinsic Catalytic Activity for Ethane Oxidative Dehydrogenation SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE heterogeneous catalysis; oxidative dehydrogenation; scanning probe microscopy; surface chemistry; surface structures ID SELECTIVE OXIDATION; PROPANE AMMOXIDATION; ACRYLIC-ACID; TEMPERATURE; PERFORMANCE; OPERATION; ALKANES; SITES AB Aberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) has been used to image the basal {001} plane of the catalytically relevant M1 phase in MoVTeNb complex oxides. Facets {010}, {120}, and {210} are identified as the most frequent lateral termination planes of the crystals. Combination of STEM with He ion microscopy (HIM) images, Rietveld analysis, and kinetic tests reveals that the activation of ethane is correlated to the availability of facets {001}, {120}, and {210} at the surface of M1 crystals. The lateral facets {120} and {210} expose crystalline positions related to the typical active centers described for propane oxidation. Conversely, the low activity of the facet {010} is attributed to its configuration, consisting of only stable M6O21 units connected by a single octahedron. Thus, we quantitatively demonstrated that differences in catalytic activity among M1 samples of equal chemical composition depend primarily on the morphology of the particles, which determines the predominant terminating facets. C1 [Melzer, Daniel; Hartmann, Daniela; Sanchez-Sanchez, Maricruz; Lercher, Johannes A.] Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85748 Garching, Germany. [Melzer, Daniel; Hartmann, Daniela; Sanchez-Sanchez, Maricruz; Lercher, Johannes A.] Tech Univ Munich, Catalysis Res Ctr, Lichtenbergstr 4, D-85748 Garching, Germany. [Xu, Pinghong] Univ Calif Davis, Dept Chem Engn & Mat Sci, One Shields Ave, Davis, CA 95616 USA. [Zhu, Yuanyuan; Browning, Nigel D.] Pacific Northwest Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. RP Sanchez-Sanchez, M; Lercher, JA (reprint author), Tech Univ Munich, Dept Chem, Lichtenbergstr 4, D-85748 Garching, Germany.; Sanchez-Sanchez, M; Lercher, JA (reprint author), Tech Univ Munich, Catalysis Res Ctr, Lichtenbergstr 4, D-85748 Garching, Germany.; Browning, ND (reprint author), Pacific Northwest Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM nigel.browning@pnnl.gov; m.sanchez@tum.de; johannes.lercher@ch.tum.de OI Browning, Nigel/0000-0003-0491-251X 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); DOE's Office of Biological and Environmental Research; DOE [DE-AC05-76RL01830] FX This work was supported by the United States Department of Energy (DOE) grant number 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 grant number DE-AC05-76RL01830. NR 31 TC 1 Z9 1 U1 28 U2 28 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 25 PY 2016 VL 55 IS 31 BP 8873 EP 8877 DI 10.1002/anie.201600463 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DV9II UT WOS:000383253700011 PM 26990594 ER PT J AU Baddour, FG Nash, CP Schaidle, JA Ruddy, DA AF Baddour, Frederick G. Nash, Connor P. Schaidle, Joshua A. Ruddy, Daniel A. TI Synthesis of alpha-MoC1-x Nanoparticles with a Surface-Modified SBA-15 Hard Template: Determination of Structure-Function Relationships in Acetic Acid Deoxygenation SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE bifunctional catalysts; biomass conversion; hydrodeoxygenation; metal carbides; surface chemistry ID MOLYBDENUM CARBIDE CATALYSTS; HYDRODEOXYGENATION; UREA; PYROLYSIS; CHEMISTRY; EVOLUTION; TUNGSTEN; NITRIDE; ANISOLE; ROUTE AB Surface modification of mesoporous SBA-15 silica generated a hydrophobic environment for a molybdenum diamine (Mo-diamine) precursor solution, enabling direct growth of isolated 1.9 +/- 0.4 nm alpha-MoC1-x nanoparticles (NPs) inside the pores of the support. The resulting NP catalysts are bifunctional, and compared to bulk alpha-MoC1-x and beta-Mo2C, the NPs exhibit a greater acid-site: H-site ratio and a fraction of stronger acid sites. The greater acid-site: H-site ratio results in higher decarbonylation (DCO) selectivity during acetic acid hydrodeoxygenation (HDO) reactions, and the stronger acid sites lead to higher activity and ketonization (KET) selectivity at high temperatures. The hard-templating synthetic method could be a versatile route toward carbide NPs of varying size, composition, and phase, on a range of mesoporous oxide supports. C1 [Baddour, Frederick G.; Nash, Connor P.; Schaidle, Joshua A.; Ruddy, Daniel A.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. RP Schaidle, JA; Ruddy, DA (reprint author), Natl Renewable Energy Lab, Natl Bioenergy Ctr, 15013 Denver West Pkwy, Golden, CO 80401 USA. EM joshua.schaidle@nrel.gov; dan.ruddy@nrel.gov FU Laboratory Directed Research and Development Program at the National Renewable Energy Laboratory; Department of Energy Bioenergy Technologies Office [DE-AC36-08-GO28308] FX This work was supported by the Laboratory Directed Research and Development Program at the National Renewable Energy Laboratory and the Department of Energy Bioenergy Technologies Office under Contract no. DE-AC36-08-GO28308. NR 27 TC 1 Z9 1 U1 32 U2 34 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 25 PY 2016 VL 55 IS 31 BP 9026 EP 9029 DI 10.1002/anie.201602878 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DV9II UT WOS:000383253700043 PM 27271466 ER PT J AU Jiang, KZ Wang, PT Guo, SJ Zhang, X Shen, X Lu, G Su, D Huang, XQ AF Jiang, Kezhu Wang, Pengtang Guo, Shaojun Zhang, Xu Shen, Xuan Lu, Gang Su, Dong Huang, Xiaoqing TI Ordered PdCu-Based Nanoparticles as Bifunctional Oxygen-Reduction and Ethanol-Oxidation Electrocatalysts SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE copper; intermetallic phases; nanoparticles; oxygen-reduction reaction; palladium ID FUEL-CELLS; PALLADIUM; CATALYSTS; PLATINUM; DESIGN; NANOCRYSTALS; STABILITY; CARBON AB The development of superior non-platinum electrocatalysts for enhancing the electrocatalytic activity and stability for the oxygen-reduction reaction (ORR) and liquid fuel oxidation reaction is very important for the commercialization of fuel cells, but still a great challenge. Herein, we demonstrate a new colloidal chemistry technique for making structurally ordered PdCu-based nanoparticles (NPs) with composition control from PdCu to PdCuNi and PtCuCo. Under the dual tuning on the composition and intermetallic phase, the ordered PdCuCo NPs exhibit better activity and much enhanced stability for ORR and ethanol-oxidation reaction (EOR) than those of disordered PdCuM NPs, the commercial Pt/C and Pd/C catalysts. The density functional theory (DFT) calculations reveal that the improved ORR activity on the PdCuM NPs stems from the catalytically active hollow sites arising from the ligand effect and the compressive strain on the Pd surface owing to the smaller atomic size of Cu, Co, and Ni. C1 [Jiang, Kezhu; Wang, Pengtang; Huang, Xiaoqing] Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Jiangsu, Peoples R China. [Guo, Shaojun] Peking Univ, Coll Engn, Dept Mat Sci & Engn, Beijing 100871, Peoples R China. [Zhang, Xu; Lu, Gang] Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA. [Shen, Xuan; Su, Dong] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Huang, XQ (reprint author), Soochow Univ, Coll Chem Chem Engn & Mat Sci, Suzhou 215123, Jiangsu, Peoples R China.; Guo, SJ (reprint author), Peking Univ, Coll Engn, Dept Mat Sci & Engn, Beijing 100871, Peoples R China. EM guosj@pku.edu.cn; hxq006@suda.edu.cn RI Su, Dong/A-8233-2013; Guo, Shaojun/A-8449-2011 OI Su, Dong/0000-0002-1921-6683; Guo, Shaojun/0000-0002-5941-414X FU Soochow University; Peking University; Young Thousand Talented Program; National Natural Science Foundation of China [21571135]; Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD); National Key Research Program [SQ2016ZY02001813]; US Army Research Office [W911NF-11-1-0353]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-SC0012704] FX This work was financially supported by the start-up funding from Soochow University and Peking University, and Young Thousand Talented Program, the National Natural Science Foundation of China (grant number 21571135), the Priority Academic Program Development of Jiangsu Higher Education Institutions (PAPD), the National Key Research Program (grant number SQ2016ZY02001813), theUS Army Research Office (grant number W911NF-11-1-0353), and the U.S. Department of Energy, Office of Basic Energy Sciences (grant number DE-SC0012704). NR 36 TC 4 Z9 4 U1 132 U2 143 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 25 PY 2016 VL 55 IS 31 BP 9030 EP 9035 DI 10.1002/anie.201603022 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA DV9II UT WOS:000383253700044 PM 27253520 ER PT J AU Zhu, GH Hoffman, CD Liu, Y Bhattacharyya, S Tumuluri, U Jue, ML Wu, ZL Sholl, DS Nair, S Jones, CW Lively, RP AF Zhu, Guanghui Hoffman, Christopher D. Liu, Yang Bhattacharyya, Souryadeep Tumuluri, Uma Jue, Melinda L. Wu, Zili Sholl, David S. Nair, Sankar Jones, Christopher W. Lively, Ryan P. TI Engineering Porous Organic Cage Crystals with Increased Acid Gas Resistance SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE acid gas interactions; cage compounds; grain boundaries; microporous materials; sulfur dioxide ID HIGH SELECTIVITY; LIQUIDS; SEPARATION; MOLECULES; CO2 AB Both known and new CC3-based porous organic cages are prepared and exposed to acidic SO2 in vapor and liquid conditions. Distinct differences in the stability of the CC3 cages exist depending on the chirality of the diamine linkers used. The acid catalyzed CC3 degradation mechanism is probed via in situ IR and a degradation pathway is proposed and supported with computational results. CC3 crystals synthesized with racemic mixtures of diaminocyclohexane exhibited enhanced stability compared to CC3-R and CC3-S. Confocal fluorescent microscope images reveal that the stability difference in CC3 species originates from an abundance of mesoporous grain boundaries in CC3-R and CC3-S, allowing facile access of aqueous SO2 throughout the crystal, promoting decomposition. These grain boundaries are absent from CC3 crystals made with racemic linkers. C1 [Zhu, Guanghui; Hoffman, Christopher D.; Liu, Yang; Bhattacharyya, Souryadeep; Jue, Melinda L.; Sholl, David S.; Nair, Sankar; Jones, Christopher W.; Lively, Ryan P.] Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA. [Tumuluri, Uma; Wu, Zili] Oak Ridge Natl Lab, Div Chem Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. [Tumuluri, Uma; Wu, Zili] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Lively, RP (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, 311 Ferst Dr NW, Atlanta, GA 30332 USA. EM ryan.lively@chbe.gatech.edu OI Zhu, Guanghui/0000-0002-7928-1129 FU UNCAGE-ME, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-SC0012577] FX This work was supported as part of UNCAGE-ME, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award No. DE-SC0012577. The in situ IR work was conducted at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User Facility. NR 36 TC 2 Z9 2 U1 20 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PD JUL 25 PY 2016 VL 22 IS 31 BP 10743 EP 10747 DI 10.1002/chem.201601659 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DV4HD UT WOS:000382885500004 PM 27253350 ER PT J AU Ma, RS Guo, M Lin, KT Hebert, VR Zhang, JW Wolcott, MP Quintero, M Ramasamy, KK Chen, XW Zhang, X AF Ma, Ruoshui Guo, Mond Lin, Kuan-ting Hebert, Vincent R. Zhang, Jinwen Wolcott, Michael P. Quintero, Melissa Ramasamy, Karthikeyan K. Chen, Xiaowen Zhang, Xiao TI Peracetic Acid Depolymerization of Biorefinery Lignin for Production of Selective Monomeric Phenolic Compounds SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE biomass; C-C bond; depolymerization; lignin; oxidation ID OXIDE CLUSTER CATIONS; STRUCTURAL-CHARACTERIZATION; CATALYTIC-OXIDATION; NIOBIUM OXIDE; KRAFT PULP; DELIGNIFICATION; IRRADIATION; CONVERSION; CHEMISTRY; CHEMICALS AB Lignin is the largest source of renewable material with an aromatic skeleton. However, due to the recalcitrant and heterogeneous nature of the lignin polymer, it has been a challenge to effectively depolymerize lignin and produce high-value chemicals with high selectivity. In this study, a highly efficient lignin-to-monomeric phenolic compounds (MPC) conversion method based on peracetic acid (PAA) treatment was reported. PAA treatment of two biorefinery lignin samples, diluted acid pretreated corn stover lignin (DACSL) and steam exploded spruce lignin (SESPL), led to complete solubilization and production of selective hydroxylated monomeric phenolic compounds (MPC-H) and monomeric phenolic acid compounds (MPC-A) including 4-hydroxy-2-methoxyphenol, p-hydroxybenzoic acid, vanillic acid, syringic acid, and 3,4-dihydroxybenzoic acid. The maximized MPC yields obtained were 18 and 22% based on the initial weight of the lignin in SESPL and DACSL, respectively. However, we found that the addition of niobium pentoxide catalyst to PAA treatment of lignin can significantly improve the MPC yields up to 47%. The key reaction steps and main mechanisms involved in this new lignin-to-MPC valorization pathway were investigated and elucidated. C1 [Ma, Ruoshui; Guo, Mond; Lin, Kuan-ting; Quintero, Melissa; Zhang, Xiao] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Bioprod Sci & Engn Lab, 2710 Crimson Way, Richland, WA 99354 USA. [Hebert, Vincent R.] Washington State Univ TriCities, Food & Environm Lab, 2710 Crimson Way, Richland, WA 99354 USA. [Zhang, Jinwen; Wolcott, Michael P.] Washington State Univ, Wood Mat & Engn Lab, Pullman, WA 99164 USA. [Ramasamy, Karthikeyan K.] Pacific Northwest Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99354 USA. [Chen, Xiaowen] Natl Renewable Energy Lab, Natl Bioenergy Ctr, 1617 Cole Blvd, Golden, CO 80127 USA. RP Zhang, X (reprint author), Washington State Univ, Voiland Sch Chem Engn & Bioengn, Bioprod Sci & Engn Lab, 2710 Crimson Way, Richland, WA 99354 USA. EM x.zhang@wsu.edu RI Ma, Ruoshui/N-4515-2015 OI Ma, Ruoshui/0000-0002-3077-0597 FU National Science Foundation [1454575]; Northwest Advance Renewable Alliance (NARA)/United States Department of Agriculture (USDA) [2011-68005-30416]; Sungrant/United States Department of Transportation [T0013G-A-9] FX Authors are grateful to the financial support from the National Science Foundation (award no: 1454575), Northwest Advance Renewable Alliance (NARA)/United States Department of Agriculture (USDA grant no. 2011-68005-30416), and Sungrant/United States Department of Transportation (contract no. T0013G-A-9). We thank Ms. J.T. Lepage at the Food & Environmental Quality Lab (Washington State University) for the GCMS analysis and results interpretation. We appreciate the suggestions and comments from Drs. T. Candy and A. McNeillie at Solvay Chemicals and Dr. F. Gao at Pacific Northwest National Laboratory on the results and manuscript. We also thank Dr. S.-J. Lee at Pacific Northwest National Laboratory for conducting the NMR analysis of the biorefinery lignin samples. NR 52 TC 1 Z9 1 U1 22 U2 22 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PD JUL 25 PY 2016 VL 22 IS 31 BP 10884 EP 10891 DI 10.1002/chem.201600546 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA DV4HD UT WOS:000382885500027 PM 27373451 ER PT J AU Velazquez-Salinas, L Zarate, S Eschbaumer, M Lobo, FP Gladue, DP Arzt, J Novella, IS Rodriguez, LL AF Velazquez-Salinas, Lauro Zarate, Selene Eschbaumer, Michael Lobo, Francisco Pereira Gladue, Douglas P. Arzt, Jonathan Novella, Isabel S. Rodriguez, Luis L. TI Selective Factors Associated with the Evolution of Codon Usage in Natural Populations of Arboviruses SO PLOS ONE LA English DT Article ID VESICULAR STOMATITIS-VIRUS; INSECT FLAVIVIRUS; RNA VIRUSES; BIAS; PATTERNS; ALTERNATION; INFECTION; MOSQUITOS; GENOMES; DIPTERA AB Arboviruses (arthropod borne viruses) have life cycles that include both vertebrate and invertebrate hosts with substantial differences in vector and host specificity between different viruses. Most arboviruses utilize RNA for their genetic material and are completely dependent on host tRNAs for their translation, suggesting that virus codon usage could be a target for selection. In the current study we analyzed the relative synonymous codon usage (RSCU) patterns of 26 arboviruses together with 25 vectors and hosts, including 8 vertebrates and 17 invertebrates. We used hierarchical cluster analysis (HCA) and principal component analysis (PCA) to identify trends in codon usage. HCA demonstrated that the RSCU of arboviruses reflects that of their natural hosts, but not that of dead-end hosts. Of the two major components identified by PCA, the first accounted for 62.1% of the total variance, and among the 59 codons analyzed in this study, the leucine codon CTG had the highest correlation with the first principal component, however isoleucine had the highest correlation during amino acid analysis. Nucleotide and dinucleotide composition were the variables that explained most of the total codon usage variance. The results suggest that the main factors driving the evolution of codon usage in arboviruses is based on the nucleotide and dinucleotide composition present in the host. Comparing codon usage of arboviruses and potential vector hosts can help identifying potential vectors for emerging arboviruses. C1 [Velazquez-Salinas, Lauro; Eschbaumer, Michael; Gladue, Douglas P.; Arzt, Jonathan; Rodriguez, Luis L.] ARS, Foreign Anim Dis Res Unit, USDA, Plum Isl Anim Dis Ctr, Orient Point, NY 11957 USA. [Velazquez-Salinas, Lauro; Eschbaumer, Michael] ORISE, Oak Ridge, TN 37830 USA. [Zarate, Selene] Autonomous Univ Mexico City, Genom Sci Program, Mexico City, DF, Mexico. [Lobo, Francisco Pereira] Empresa Brasileira Pesquisa Agr Embrapa, Lab Multiusuario Bioinformat, Embrapa Informat Agr, Campinas, SP, Brazil. [Novella, Isabel S.] Univ Toledo, Dept Med Microbiol & Immunol, Coll Med & Life Sci, 2801 W Bancroft St, Toledo, OH 43606 USA. RP Velazquez-Salinas, L (reprint author), ARS, Foreign Anim Dis Res Unit, USDA, Plum Isl Anim Dis Ctr, Orient Point, NY 11957 USA.; Velazquez-Salinas, L (reprint author), ORISE, Oak Ridge, TN 37830 USA. EM lauro.velazquez@ars.usda.gov OI Arzt, Jonathan/0000-0002-7517-7893 NR 51 TC 0 Z9 0 U1 1 U2 1 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 25 PY 2016 VL 11 IS 7 AR e0159943 DI 10.1371/journal.pone.0159943 PG 17 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DT5ID UT WOS:000381515200060 PM 27455096 ER PT J AU Dumitru, A Skokov, V AF Dumitru, Adrian Skokov, Vladimir TI cosd(4 phi) azimuthal anisotropy in small-x DIS dijet production beyond the leading power TMD limit SO PHYSICAL REVIEW D LA English DT Article ID COLOR GLASS CONDENSATE; QUARK PAIR PRODUCTION; TRANSVERSE-MOMENTUM; COLLISIONS AB We determine the first correction to the quadrupole operator in high-energy QCD beyond the transverse momentum dependent (TMD) limit of Weizsacker-Williams and linearly polarized gluon distributions. These functions give rise to isotropic, respectively, similar to cos 2 phi angular distributions in deep inelastic scattering (DIS) dijet production. On the other hand, the correction produces a similar to cos 4 phi angular dependence which is suppressed by one additional power of the dijet transverse momentum scale (squared) P-2. C1 [Dumitru, Adrian] CUNY, Baruch Coll, Dept Nat Sci, 17 Lexington Ave, New York, NY 10010 USA. [Dumitru, Adrian] CUNY, Grad Sch, 365 Fifth Ave, New York, NY 10016 USA. [Dumitru, Adrian] CUNY, Univ Ctr, 365 Fifth Ave, New York, NY 10016 USA. [Skokov, Vladimir] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Dumitru, A (reprint author), CUNY, Baruch Coll, Dept Nat Sci, 17 Lexington Ave, New York, NY 10010 USA.; Dumitru, A (reprint author), CUNY, Grad Sch, 365 Fifth Ave, New York, NY 10016 USA.; Dumitru, A (reprint author), CUNY, Univ Ctr, 365 Fifth Ave, New York, NY 10016 USA. FU DOE Office of Nuclear Physics [DE-FG02-09ER41620]; City University of New York through the PSC-CUNY Research Grant [69362-00 47] FX We appreciate insightful comments by E. Aschenauer, A. Kovner, M. Lublinsky, and, especially, T. Ullrich. V. S. also thanks J. Huang and D. Morrison for discussions and the organizers of the Spring 2016 fsPHENIX workshop where work on this paper was initiated. A. D. gratefully acknowledges support by the DOE Office of Nuclear Physics through Grant No. DE-FG02-09ER41620, and from The City University of New York through the PSC-CUNY Research Grant No. 69362-00 47. NR 24 TC 0 Z9 0 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 25 PY 2016 VL 94 IS 1 AR 014030 DI 10.1103/PhysRevD.94.014030 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DT4ZU UT WOS:000381491100003 ER PT J AU Eum, K Rownaghi, A Choi, D Bhave, RR Jones, CW Nair, S AF Eum, Kiwon Rownaghi, Ali Choi, Dalsu Bhave, Ramesh R. Jones, Christopher W. Nair, Sankar TI Fluidic Processing of High-Performance ZIF-8 Membranes on Polymeric Hollow Fibers: Mechanistic Insights and Microstructure Control SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID METAL-ORGANIC FRAMEWORK; ZEOLITIC IMIDAZOLATE FRAMEWORK-8; PROPYLENE/PROPANE SEPARATION; MOF MEMBRANES; SIZE; SELECTIVITY; SUPPORTS AB Recently, a methodology for fabricating polycrystalline metal-organic framework (MOF) membranes has been introduced - referred to as interfacial microfluidic membrane processing - which allows parallelizable fabrication of MOF membranes inside polymeric hollow fibers of microscopic diameter. Such hollow fiber membranes, when bundled together into modules, are an attractive way to scale molecular sieving membranes. The understanding and engineering of fluidic processing techniques for MOF membrane fabrication are in their infancy. Here, a detailed mechanistic understanding of MOF (ZIF-8) membrane growth under microfluidic conditions in polyamide-imide hollow fibers is reported, without any intermediate steps (such as seeding or surface modification) or post-synthesis treatments. A key finding is that interfacial membrane formation in the hollow fiber occurs via an initial formation of two distinct layers and the subsequent rearrangement into a single layer. This understanding is used to show how nonisothermal processing allows fabrication of thinner (5 mu m) ZIF-8 films for higher throughput, and furthermore how engineering the polymeric hollow fiber support microstructure allows control of defects in the ZIF-8 membranes. The performance of these engineered ZIF-8 membranes is then characterized, which have H-2/C3H8 and C3H6/C3H8 mixture separation factors as high as 2018 and 65, respectively, and C3H6 permeances as high as 66 GPU. C1 [Eum, Kiwon; Rownaghi, Ali; Choi, Dalsu; Jones, Christopher W.; Nair, Sankar] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Rownaghi, Ali] Missouri Univ Sci & Technol, Dept Chem & Biochem Engn, Rolla, MO 65409 USA. [Bhave, Ramesh R.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Nair, S (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM sankar.nair@chbe.gatech.edu OI Eum, Kiwon/0000-0003-4316-2301 FU Phillips 66 Company FX This work was supported by Phillips 66 Company. NR 34 TC 5 Z9 5 U1 51 U2 92 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 25 PY 2016 VL 26 IS 28 BP 5011 EP 5018 DI 10.1002/adfm.201601550 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 DS6KH UT WOS:000380890200001 ER PT J AU Kim, H Kim, H Kim, H Kim, J Yoon, G Lim, K Yoon, WS Kang, K AF Kim, Haegyeom Kim, Hyunchul Kim, Hyungsub Kim, Jinsoo Yoon, Gabin Lim, Kyungmi Yoon, Won-Sub Kang, Kisuk TI Understanding Origin of Voltage Hysteresis in Conversion Reaction for Na Rechargeable Batteries: The Case of Cobalt Oxides SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID SODIUM-ION BATTERIES; PERFORMANCE ANODE MATERIAL; LITHIUM-ION; HIGH-CAPACITY; ELECTRODE MATERIALS; ELECTROCHEMICAL PROPERTIES; REVERSIBLE CAPACITY; STORAGE BEHAVIOR; ENERGY-STORAGE; AIR BATTERIES AB Conversion reaction electrodes offer a high specific capacity in rechargeable batteries by utilizing wider valence states of transition metals than conventional intercalation-based electrodes and have thus been intensively studied in recent years as potential electrode materials for high-energy-density rechargeable batteries. However, several issues related to conversion reactions remain poorly understood, including the polarization or hysteresis during charge/discharge processes. Herein, Co3O4 in Na cells is taken as an example to understand the aforementioned properties. The large hysteresis in charge/discharge profiles is revealed to be due to different electrochemical reaction paths associated with respective charge and discharge processes, which is attributed to the mobility gap among inter-diffusing species in a metal oxide compound during de/sodiation. Furthermore, a Co3O4-graphene nanoplatelet hybrid material is demonstrated to be a promising anode for Na rechargeable batteries, delivering a capacity of 756 mAh g(-1) with a good reversibility and an energy density of 96 Wh kg(-1) (based on the total electrode weight) when combined with a recently reported Na4Fe3(PO4)(2)(P2O7) cathode. C1 [Kim, Jinsoo; Yoon, Gabin; Lim, Kyungmi; Kang, Kisuk] Seoul Natl Univ, Dept Mat Sci & Engn, Res Inst Adv Mat RIAM, 599 Gwanak Ro, Seoul 151742, South Korea. [Yoon, Won-Sub] Sungkyunkwan Univ, Dept Energy Sci, Suwon 440746, South Korea. [Yoon, Gabin; Kang, Kisuk] Seoul Natl Univ, Ctr Nanoparticle Res, Inst Basic Sci IBS, Seoul 151742, South Korea. Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Kang, K (reprint author), Seoul Natl Univ, Dept Mat Sci & Engn, Res Inst Adv Mat RIAM, 599 Gwanak Ro, Seoul 151742, South Korea. EM matlgen1@snu.ac.kr RI Yoon, Gabin/J-9364-2016; Yoon, Won-Sub/H-2343-2011; Kim, Hyunchul/D-4426-2017 OI Kim, Hyunchul/0000-0002-8006-9504 FU Energy Efficiency and Resources of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) - Korea government Ministry of Trade, Industry and Energy (MOTIE) [20132020000270] FX This work was supported by the Energy Efficiency and Resources of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Trade, Industry and Energy (MOTIE) (No. 20132020000270). NR 61 TC 2 Z9 2 U1 38 U2 55 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 25 PY 2016 VL 26 IS 28 BP 5042 EP 5050 DI 10.1002/adfm.201601357 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 DS6KH UT WOS:000380890200005 ER PT J AU Long, H Harley-Trochimczyk, A Pham, T Tang, ZR Shi, TL Zettl, A Carraro, C Worsley, MA Maboudian, R AF Long, Hu Harley-Trochimczyk, Anna Thang Pham Tang, Zirong Shi, Tielin Zettl, Alex Carraro, Carlo Worsley, Marcus A. Maboudian, Roya TI High Surface Area MoS2/Graphene Hybrid Aerogel for Ultrasensitive NO2 Detection SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; GRAPHENE AEROGEL; LAYER MOS2; THERMAL-CONDUCTIVITY; HYDROGEN EVOLUTION; ELECTRIC-FIELD; GAS MOLECULES; SENSORS; FILMS; TRANSISTORS AB A MoS2/graphene hybrid aerogel synthesized with two-dimensional MoS2 sheets coating a high surface area graphene aerogel scaffold is characterized and used for ultrasensitive NO2 detection. The combination of graphene and MoS2 leads to improved sensing properties with the graphene scaffold providing high specific surface area and high electrical and thermal conductivity and the single to few-layer MoS2 sheets providing high sensitivity and selectivity to NO2. The hybrid aerogel is integrated onto a low-power micro-heater platform to probe the gas sensing performance. At room temperature, the sensor exhibits an ultralow detection limit of 50 ppb NO2. By heating the material to 200 degrees C, the response and recovery times to reach 90% of the final signal decrease to <1 min, while retaining the low detection limit. The MoS2/graphene hybrid also shows good selectivity for NO2 against H-2 and CO, especially when compared to bare graphene aerogel. The unique structure of the hybrid aerogel is responsible for the ultrasensitive, selective, and fast NO2 sensing. The improved sensing performance of this hybrid aerogel also suggests the possibility of other 2D material combinations for further sensing applications. C1 [Long, Hu; Harley-Trochimczyk, Anna; Carraro, Carlo; Maboudian, Roya] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Thang Pham; Zettl, Alex] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Kavli Energy NanoSci Inst, Dept Phys,Mat Sci Div, Berkeley, CA 94720 USA. [Thang Pham; Zettl, Alex] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Long, Hu; Tang, Zirong; Shi, Tielin] Huazhong Univ Sci & Technol, State Key Lab Digital Mfg Equipment & Technol, Wuhan 430074, Peoples R China. [Worsley, Marcus A.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, 7000 East Ave, Livermore, CA 94550 USA. RP Maboudian, R (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. EM maboudia@berkeley.edu RI Zettl, Alex/O-4925-2016 OI Zettl, Alex/0000-0001-6330-136X FU Berkeley Sensor and Actuator Center (BSAC) Industrial Members and National Science Foundation (NSF) [IIP 1444950]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy under the sp2 program [KC2207]; Air Force Office of Scientific Research [FA9550-14-1-0323]; Lawrence Livermore National Laboratory under the auspices of the U.S. Department of Energy [DE-AC52-07NA27344]; Lawrence Livermore National Laboratory under the auspices of the U.S. Department of Energy through LDRD [13-LW-099]; China Scholarship Council; NSF Graduate Research Fellowship [DGE 1106400] FX The authors acknowledge Lunet Luna for help with material characterization. This work was supported by Berkeley Sensor and Actuator Center (BSAC) Industrial Members and National Science Foundation (NSF Grant No. IIP 1444950), which provided the design of experiments, student support (H.L., A.H.-T.), and sensor fabrication and performance characterization. The SEM and EDS characterizations were conducted 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. T.P. and A.Z. acknowledge funding from 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, under the sp2 program (KC2207), which provided TEM characterization; and the Air Force Office of Scientific Research under contract FA9550-14-1-0323, which provided student (T.P.) support and synthesis route optimization. M.W. would like to acknowledge that this work was supported by Lawrence Livermore National Laboratory under the auspices of the U.S. Department of Energy under Contract DE-AC52-07NA27344, through LDRD award 13-LW-099. H.L. and A.H.-T. acknowledge additional support through the China Scholarship Council and the NSF Graduate Research Fellowship (DGE 1106400). NR 50 TC 9 Z9 9 U1 98 U2 136 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 25 PY 2016 VL 26 IS 28 BP 5158 EP 5165 DI 10.1002/adfm.201601562 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 DS6KH UT WOS:000380890200018 ER PT J AU Beekman, C Siemons, W Chi, M Balke, N Howe, JY Ward, TZ Maksymovych, P Budai, JD Tischler, JZ Xu, R Liu, W Christen, HM AF Beekman, C. Siemons, W. Chi, M. Balke, N. Howe, J. Y. Ward, T. Z. Maksymovych, P. Budai, J. D. Tischler, J. Z. Xu, R. Liu, W. Christen, H. M. TI Ferroelectric Self-Poling, Switching, and Monoclinic Domain Configuration in BiFeO3 Thin Films SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID VOLTAGE SHIFTS; IMPRINT; CAPACITORS; PHASE; POLARIZATION; BEHAVIOR; FATIGUE; ELECTRODES; CERAMICS; BULK AB Self-poling of ferroelectric films, i.e., a preferred, uniform direction of the ferroelectric polarization in as-grown samples is often observed yet poorly understood despite its importance for device applications. The multiferroic perovskite BiFeO3, which crystallizes in two distinct structural polymorphs depending on applied epitaxial strain, is well known to exhibit self-poling. This study investigates the effect of self-poling on the monoclinic domain configuration and the switching properties of the two polymorphs of BiFeO3 (R' and T') in thin films grown on LaAlO3 substrates with slightly different La0.3Sr0.7MnO3 buffer layers. This study shows that the polarization state formed during the growth acts as "imprint" on the polarization and that switching the polarization away from this self-poled direction can only be done at the expense of the sample's monoclinic domain configuration. The observed reduction of the monoclinic domain size is largely reversible; hence, the domain size is restored when the polarization is switched back to its original orientation. This is a direct consequence of the growth taking place in the polar phase (below T-c). Switching the polarization away from the preferred configuration, in which defects and domain patterns synergistically minimize the system's energy, leads to a domain state with smaller (and more highly strained and distorted) monoclinic domains. C1 [Beekman, C.; Siemons, W.; Chi, M.; Howe, J. Y.; Ward, T. Z.; Budai, J. D.; Christen, H. M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Balke, N.; Maksymovych, P.; Christen, H. M.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Tischler, J. Z.; Xu, R.; Liu, W.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Beekman, C.] Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA. [Beekman, C.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Howe, J. Y.] Hitachi High Technol Canada Inc, Toronto, ON M9W 6A4, Canada. RP Beekman, C; Christen, HM (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.; Christen, HM (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA.; Beekman, C (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA.; Beekman, C (reprint author), Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM beekman@magnet.fsu.edu; christenhm@ornl.gov RI Chi, Miaofang/Q-2489-2015; Budai, John/R-9276-2016; Christen, Hans/H-6551-2013; Balke, Nina/Q-2505-2015; OI Chi, Miaofang/0000-0003-0764-1567; Budai, John/0000-0002-7444-1306; Christen, Hans/0000-0001-8187-7469; Balke, Nina/0000-0001-5865-5892; Ward, Thomas/0000-0002-1027-9186 FU U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Science and Engineering Division at the Center for Nanophase Materials Science; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357] FX Research was supported by the U.S. Department of Energy (DOE), Basic Energy Sciences (BES), Materials Science and Engineering Division (HMC, JDB, WS, CB, TWZ, MC, and JH), and performed in part (PFM and SEM measurements) at the Center for Nanophase Materials Science, which is a DOE Office of Science User Facility that also supported NB and PM. X-ray microdiffraction (JZT, RX, WL) was done at the Advanced Photon Source, a U.S. DOE Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. The authors owe a special thanks to Julia Luck for her extraordinary work in TEM and SEM specimen preparation. NR 51 TC 2 Z9 2 U1 19 U2 25 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 25 PY 2016 VL 26 IS 28 BP 5166 EP 5173 DI 10.1002/adfm.201600468 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 DS6KH UT WOS:000380890200019 ER PT J AU Tan, A Li, J Scholl, A Arenholz, E Young, AT Li, Q Hwang, C Qiu, ZQ AF Tan, A. Li, J. Scholl, A. Arenholz, E. Young, A. T. Li, Q. Hwang, C. Qiu, Z. Q. TI Topology of spin meron pairs in coupled Ni/Fe/Co/Cu(001) disks SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC SKYRMION; FILMS; TEMPERATURE; MULTILAYERS; MICROSCOPY; CU(100); FE/CR AB The meron is a special topological object that carries only one-half of the topological charge unit. In condensed matter physics, a spin meron corresponds to one-half of a spin skyrmion. As compared to the many fascinating topological properties of skyrmion materials, little is known of the properties of spin merons especially about their formation. It was confirmed only recently that hedgehog merons could exist in pairs with opposite helicities via a spin flux closure. However, it is unclear whether a single hedgehog meron could ever exist by pairing with another type of meron. Using element-resolved magnetic imaging measurements on epitaxial trilayer disks, we show that a spin meron with a full range of helicity, including the hedgehog meron, can be stabilized by pairing with another vortex meron with a fine tuning of the magnetic coupling between the two merons. Furthermore, the meron divergence is fully controlled by the polarity of the vortex meron, independent of the vortex helicity. C1 [Tan, A.; Li, Q.; Qiu, Z. Q.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Li, J.] Peking Univ, Int Ctr Quantum Mat, Beijing 100871, Peoples R China. [Li, J.] Peking Univ, Sch Phys, Beijing 100871, Peoples R China. [Scholl, A.; Arenholz, E.; Young, A. T.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Hwang, C.] Korea Res Inst Stand & Sci, Yuseong 305340, Daejeon, South Korea. RP Li, J (reprint author), Peking Univ, Int Ctr Quantum Mat, Beijing 100871, Peoples R China.; Li, J (reprint author), Peking Univ, Sch Phys, Beijing 100871, Peoples R China. EM jiali83@pku.edu.cn RI Qiu, Zi Qiang/O-4421-2016 OI Qiu, Zi Qiang/0000-0003-0680-0714 FU National Science Foundation [DMR-1504568]; Future Materials Discovery Program through the National Research Foundation of Korea [2015M3D1A1070467]; Science Research Center Program through the National Research Foundation of Korea [2015R1A5A1009962]; Office of Science, Office of Basic Energy Sciences; US Department of Energy [DE-AC02-05CH11231] FX Financial support through National Science Foundation Grant No. DMR-1504568 and Future Materials Discovery Program through the National Research Foundation of Korea (No. 2015M3D1A1070467), and Science Research Center Program through the National Research Foundation of Korea (No. 2015R1A5A1009962) is gratefully acknowledged. The operations of the Advanced Light Source at Lawrence Berkeley National Laboratory are supported by the Director, Office of Science, Office of Basic Energy Sciences, and US Department of Energy under Contract No. DE-AC02-05CH11231. NR 32 TC 0 Z9 0 U1 3 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 25 PY 2016 VL 94 IS 1 AR 014433 DI 10.1103/PhysRevB.94.014433 PG 8 WC Physics, Condensed Matter SC Physics GA DT4UM UT WOS:000381476600008 ER PT J AU Wang, YQ Lu, PC Wu, JJ Liu, J Wang, XC Zhao, JY Bi, W Alp, EE Park, CY Popov, D Jin, CQ Sun, J Lin, JF AF Wang, Y. Q. Lu, P. C. Wu, J. J. Liu, J. Wang, X. C. Zhao, J. Y. Bi, W. Alp, E. E. Park, C. Y. Popov, D. Jin, C. Q. Sun, J. Lin, J. F. TI Phonon density of states of single-crystal SrFe2As2 across the collapsed phase transition at high pressure SO PHYSICAL REVIEW B LA English DT Article ID IRON; SUPERCONDUCTIVITY; BAFE2AS2 AB To help our understanding of the structural and superconducting transitions in ferropnictides, partial phonon density of states (PDOS) of iron in a single-crystal SrFe2As2 pnictide have been investigated from both out-of-plane and in-plane polarizations with respect to the basal plane of the crystal structure using nuclear resonant inelastic x-ray scattering in a high-pressure diamond anvil cell at ambient temperature. The partial PDOS of iron in the pnictide crystal changes dramatically at approximately 8 GPa, which can be associated with the tetragonal (T) to collapsed tetragonal (CT) isostructural transition as evidenced in high-pressure x-ray diffraction measurements and theoretical calculations. Across the T-CT phase transition, analysis of the PDOS spectra shows a rapid stiffening of the optical phonon modes and a dramatic increase of the Lamb-Mossbauer factor (f(LM)) and mean force constant which can be associated with the rapid decrease of the c axis and the anomalous expansion of the a axis. Theoretically calculated Fe partial PDOS and lattice parameters of SrFe2As2 further reveal the strong correlation between the lattice parameters and phonons. Our results show that the T-CT transition can induce significant changes in the vibrational, elastic, and thermodynamic properties of SrFe2As2 single crystal at high pressure. C1 [Wang, Y. Q.] Zhengzhou Univ Light Ind, Sch Phys & Elect Engn, Zhengzhou 450002, Peoples R China. [Lu, P. C.; Sun, J.] Nanjing Univ, Sch Phys, Nanjing 210093, Jiangsu, Peoples R China. [Lu, P. C.; Sun, J.] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China. [Wu, J. J.; Lin, J. F.] Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China. [Wu, J. J.; Wang, X. C.; Jin, C. Q.] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Wu, J. J.; Wang, X. C.; Jin, C. Q.] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Liu, J.; Lin, J. F.] Univ Texas Austin, Dept Geol Sci, Jackson Sch Geosci, Austin, TX 78712 USA. [Zhao, J. Y.; Bi, W.; Alp, E. E.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Bi, W.] Univ Illinois, Dept Geol, Urbana, IL 61801 USA. [Park, C. Y.; Popov, D.] Argonne Natl Lab, Carnegie Inst Washington, HPCAT, Adv Photon Source, Argonne, IL 60439 USA. [Sun, J.] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China. RP Sun, J (reprint author), Nanjing Univ, Sch Phys, Nanjing 210093, Jiangsu, Peoples R China.; Sun, J (reprint author), Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China.; Lin, JF (reprint author), Ctr High Pressure Sci & Technol Adv Res, Shanghai 201203, Peoples R China.; Lin, JF (reprint author), Univ Texas Austin, Dept Geol Sci, Jackson Sch Geosci, Austin, TX 78712 USA.; Sun, J (reprint author), Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China. EM jiansun@nju.edu.cn; afu@jsg.utexas.edu RI Sun, Jian/A-9893-2010; Lin, Jung-Fu/B-4917-2011; Park, Changyong/A-8544-2008 OI Sun, Jian/0000-0001-6172-9100; Park, Changyong/0000-0002-3363-5788 FU LLNL through DOE-NNSA; DOE-BES [DE-AC02-06CH11357]; LLNL through NFS; NSF of China; MOST of China; National Key Projects for Research & Development of China [2016YFA0300404]; 973 project [2015CB921202]; National Natural Science Foundation of China [51372112, 11574133]; NSF Jiangsu province [BK20150012]; Fundamental Research Funds for the Central Universities of the NSFC-Guangdong Joint Fund; Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund; COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF [EAR 1606856]; LLNL through DOE-BES; CIW; CDAC; UNLV FX We acknowledge sector 3 (XSD) and HPCAT, APS, and ANL for the use of the synchrotron facilities. HPCAT is supported by CIW, CDAC, UNLV, and LLNL through funding from DOE-NNSA, DOE-BES, and NFS. APS is supported by DOE-BES under Contract No. DE-AC02-06CH11357. Work at the Institute of Physics, Chinese Academy of Sciences, is supported by NSF and MOST of China through research projects. Work at Nanjing University is supported by the National Key Projects for Research & Development of China (Grant No. 2016YFA0300404), 973 project (Grant No. 2015CB921202), the National Natural Science Foundation of China (Grants No. 51372112 and No. 11574133), NSF Jiangsu province (No. BK20150012), and the Fundamental Research Funds for the Central Universities and Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase). This research was partially supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences under NSF Cooperative Agreement EAR 1606856. Part of the calculations were performed on the supercomputer in the High Performance Computing Center of Nanjing University. NR 43 TC 0 Z9 0 U1 7 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 25 PY 2016 VL 94 IS 1 AR 014516 DI 10.1103/PhysRevB.94.014516 PG 8 WC Physics, Condensed Matter SC Physics GA DT4UM UT WOS:000381476600009 ER PT J AU Mantysaari, H Schenke, B AF Mantysaari, Heikki Schenke, Bjorn TI Evidence of Strong Proton Shape Fluctuations from Incoherent Diffraction SO PHYSICAL REVIEW LETTERS LA English DT Article ID LARGE MOMENTUM-TRANSFER; COLOR GLASS CONDENSATE; VECTOR-MESONS; J/PSI MESONS; SMALL-X; QCD ANALYSIS; HERA DATA; PHOTOPRODUCTION; COLLISIONS; SATURATION AB We show within the saturation framework that measurements of exclusive vector meson production at high energy provide evidence for strong geometric fluctuations of the proton. In comparison, the effect of saturation scale and color charge fluctuations is weak. This knowledge will allow detailed future measurements of the incoherent cross section to tightly constrain the fluctuating geometry of the proton as a function of the parton momentum fraction x. C1 [Mantysaari, Heikki; Schenke, Bjorn] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Mantysaari, H (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. FU U.S. DOE [DE-SC0012704]; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; DOE Office of Science FX We thank E. Aschenauer, S. Schlichting, and T. Ullrich for the discussions and T. Lappi and R. Venugopalan for their valuable comments on the manuscript. This work was supported under U.S. DOE Contract No. DE-SC0012704. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. B. S. acknowledges a DOE Office of Science Early Career Award. NR 61 TC 8 Z9 8 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 25 PY 2016 VL 117 IS 5 AR 052301 DI 10.1103/PhysRevLett.117.052301 PG 7 WC Physics, Multidisciplinary SC Physics GA DT4RK UT WOS:000381468300003 PM 27517767 ER PT J AU Chen, YY Sanchez, C Parkinson, DY Liang, H AF Chen, Yunyun Sanchez, Carlos Parkinson, Dilworth Y. Liang, Hong TI Direct observation of lubricant additives using tomography techniques SO APPLIED PHYSICS LETTERS LA English DT Article ID FRICTION AB Lubricants play important roles in daily activities such as driving, walking, and cooking. The current understanding of mechanisms of lubrication, particularly in mechanical systems, has been limited by the lack of capability in direct observation. Here, we report an in situ approach to directly observe the motion of additive particles in grease under the influence of shear. Using the K-edge tomography technique, it is possible to detect particular additives in a grease and observe their distribution through 3D visualization. A commercial grease as a reference was studied with and without an inorganic additive of Fe3O4 microparticles. The results showed that it was possible to identify these particles and track their movement. Under a shear stress, Fe3O4 particles were found to adhere to the edge of calcium complex thickeners commonly used in grease. Due to sliding, the grease formed a film with increased density. This approach enables in-line monitoring of a lubricant and future investigation in mechanisms of lubrication. Published by AIP Publishing. C1 [Chen, Yunyun; Liang, Hong] Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA. [Sanchez, Carlos; Liang, Hong] Texas A&M Univ, Mech Engn, College Stn, TX 77843 USA. [Parkinson, Dilworth Y.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Liang, H (reprint author), Texas A&M Univ, Dept Mat Sci & Engn, College Stn, TX 77843 USA.; Liang, H (reprint author), Texas A&M Univ, Mech Engn, College Stn, TX 77843 USA. EM hliang@tamu.edu FU ALS fellowship; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Texas A&M strategic seed grant program; Turbomachine Research Laboratory FX Authors wish to acknowledge Jet-Lube for providing the reference compound. Y.Y.C. was partially sponsored by the ALS fellowship. 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. Partial support by the Texas A&M strategic seed grant program and the Turbomachine Research Laboratory is acknowledged. NR 16 TC 0 Z9 0 U1 6 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 25 PY 2016 VL 109 IS 4 AR 041603 DI 10.1063/1.4960020 PG 4 WC Physics, Applied SC Physics GA DT7SZ UT WOS:000381688900010 ER PT J AU Hong, F Yue, BB Cheng, ZX Kunz, M Chen, B Mao, HK AF Hong, Fang Yue, Binbin Cheng, Zhenxiang Kunz, Martin Chen, Bin Mao, Ho-Kwang TI High pressure polymorphs and amorphization of upconversion host material NaY(WO4)(2) SO APPLIED PHYSICS LETTERS LA English DT Article ID SILICON SOLAR-CELLS; KY(WO4)(2) CRYSTAL; LASER OPERATION; SINGLE-CRYSTAL; NANOPARTICLES; EMISSION; LIGHT; YB3+; NANOCRYSTALS; CAWO4 AB The pressure effect on the structural change of upconversion host material NaY(WO4)(2) was studied by using in-situ synchrotron X-ray diffraction. A transition from the initial scheelite phase to the M-fergusonite phase occurs near 10GPa, and another phase transition is found near 27.5GPa, which could be an isostructural transition without symmetry change. The sample becomes amorphous when the pressure is fully released from high pressure. This work demonstrates the possibility of synthesizing various polymorph structures for non-linear optical applications with a high pressure, chemical doping, or strained thin-film nanostructure process. Published by AIP Publishing. C1 [Hong, Fang; Yue, Binbin; Chen, Bin; Mao, Ho-Kwang] Ctr High Pressure Sci & Technol Adv Res, 1690 Cailun Rd Pudong, Shanghai 201203, Peoples R China. [Hong, Fang; Yue, Binbin; Kunz, Martin] Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Cheng, Zhenxiang] Univ Wollongong, Australian Inst Innovat Mat, Inst Superconducting & Elect Mat, Innovat Campus,Squires Way, North Wollongong, NSW 2500, Australia. [Mao, Ho-Kwang] Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. RP Yue, BB (reprint author), Ctr High Pressure Sci & Technol Adv Res, 1690 Cailun Rd Pudong, Shanghai 201203, Peoples R China.; Yue, BB (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yuebb@hpstar.ac.cn; chenbin@hpstar.ac.cn RI HONG, Fang/C-6070-2014; Yue, Binbin/K-2399-2016 OI HONG, Fang/0000-0003-0060-2063; Yue, Binbin/0000-0002-7784-2850 FU NSAF [U1530402] FX The authors acknowledge support from the NSAF (Grant No. U1530402). F.H. and B.B.Y. acknowledge the usage of beam time at Beamline 12.2.2 at the Advanced Light Source in Lawrence Berkeley National Laboratory. All authors thank Freyja O'Toole for her careful revision of the manuscript. NR 43 TC 1 Z9 1 U1 12 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 25 PY 2016 VL 109 IS 4 AR 041907 DI 10.1063/1.4960104 PG 5 WC Physics, Applied SC Physics GA DT7SZ UT WOS:000381688900018 ER PT J AU Li, JJ Wang, X Zhou, HD Zhou, J Cheng, JG Cao, JM AF Li, Junjie Wang, Xuan Zhou, Haidong Zhou, Jun Cheng, J. G. Cao, Jianming TI Direct and real time probe of photoinduced structure transition in colossal magnetoresistive material SO APPLIED PHYSICS LETTERS LA English DT Article ID INSULATOR-METAL TRANSITION; PHASE-TRANSITION; LA1-XSRXMNO3; PR0.7CA0.3MNO3; CONDUCTIVITY; LA1-XCAXMNO3; PEROVSKITES; DISTORTIONS; MANGANITES; COMPLEXES AB We report a direct and real time measurement of photoinduced structure phase transition in single crystal La0.84Sr0.16MnO3 using femtosecond electron diffraction. The melting of orthorhombic lattice ordering under femtosecond optical excitation is found involving two distinct processes with different time scales, an initial fast melting of orthorhombic phase in about 4 ps and a subsequent slower transformation in 90 ps and longer timescales. The fast process is designated as the initial melting of orthorhombic phase induced by the Mn-O bond change that is most likely driven by the quenching of the dynamic Jahn-Teller distortion following the photo-excitation. The slow process is attributed to the growing of newly formed structure domain from the photo-excited sites to the neighboring non-excited orthorhombic sites. Published by AIP Publishing. C1 [Li, Junjie; Zhou, Jun; Cao, Jianming] Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA. [Li, Junjie; Zhou, Haidong; Zhou, Jun; Cao, Jianming] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Li, Junjie] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Wang, Xuan] Chinese Acad Sci, Inst Phys, POB 603, Beijing 100190, Peoples R China. [Cheng, J. G.] Univ Texas Austin, Texas Mat Inst, Austin, TX 78712 USA. RP Cao, JM (reprint author), Florida State Univ, Dept Phys, Tallahassee, FL 32310 USA.; Cao, JM (reprint author), Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM jcao@magnet.fsu.edu RI Zhou, Haidong/O-4373-2016 FU National Science Foundation [1207252, DMR-1157490]; State of Florida FX We would like to acknowledge Steve McGill and Pedro U. Schlottmann for helpful discussions. This work was supported by National Science Foundation Grant No. 1207252, National Science Foundation Cooperative Agreement No. DMR-1157490 and the State of Florida. NR 41 TC 0 Z9 0 U1 6 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 25 PY 2016 VL 109 IS 4 AR 041905 DI 10.1063/1.4960100 PG 5 WC Physics, Applied SC Physics GA DT7SZ UT WOS:000381688900016 ER PT J AU Narayanan, B Deshmukh, SA Shrestha, LK Ariga, K Pol, VG Sankaranarayanan, SKRS AF Narayanan, Badri Deshmukh, Sanket A. Shrestha, Lok Kumar Ariga, Katsuhiko Pol, Vilas G. Sankaranarayanan, Subramanian K. R. S. TI Cavitation and radicals drive the sonochemical synthesis of functional polymer spheres SO APPLIED PHYSICS LETTERS LA English DT Article ID CARBON SPHERES; MOLECULAR-DYNAMICS; BUBBLE DYNAMICS; ANODE MATERIALS; BATTERY; RANGE AB Sonochemical synthesis can lead to a dramatic increase in the kinetics of formation of polymer spheres (templates for carbon spheres) compared to the modified Stober silica method applied to produce analogous polymer spheres. Reactive molecular dynamics simulations of the sonochemical process indicate a significantly enhanced rate of polymer sphere formation starting from resorcinol and formaldehyde precursors. The associated chemical reaction kinetics enhancement due to sonication is postulated to arise from the localized lowering of atomic densities, localized heating, and generation of radicals due to cavitation collapse in aqueous systems. This dramatic increase in reaction rates translates into enhanced nucleation and growth of the polymer spheres. The results are of broad significance to understanding mechanisms of sonication induced synthesis as well as technologies utilizing polymers spheres. Published by AIP Publishing. C1 [Narayanan, Badri; Deshmukh, Sanket A.; Sankaranarayanan, Subramanian K. R. S.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. [Shrestha, Lok Kumar; Ariga, Katsuhiko] Natl Inst Mat Sci, World Premier Int Ctr Mat Nanoarchitechton WPI MA, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan. [Pol, Vilas G.] Purdue Univ, Sch Chem Engn, W Lafayette, IN 47907 USA. RP Narayanan, B (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bnarayanan@anl.gov; ssankaranarayanan@anl.gov RI Shrestha, Lok Kumar /B-9537-2013; ARIGA, Katsuhiko/H-2695-2011 FU U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences [DE-AC02-06CH11357]; Office of Vehicle Technologies of the U.S. Department of Energy [DE-EE0006832] FX Use of the Center for Nanoscale Materials was supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under Contract No. DE-EE0006832 under the Advanced Battery Materials Research (BMR) Program. 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 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 25 PY 2016 VL 109 IS 4 AR 041901 DI 10.1063/1.4959885 PG 5 WC Physics, Applied SC Physics GA DT7SZ UT WOS:000381688900012 ER PT J AU Park, JS Yang, JH Barnes, T Wei, SH AF Park, Ji-Sang Yang, Ji-Hui Barnes, Teresa Wei, Su-Huai TI Effect of intermixing at CdS/CdTe interface on defect properties SO APPLIED PHYSICS LETTERS LA English DT Article ID CDTE SOLAR-CELLS; GRAIN-BOUNDARIES AB We investigated the stability and electronic properties of defects in CdTe1-xSx that can be formed at the CdS/CdTe interface. As the anions mix at the interface, the defect properties are significantly affected, especially those defects centered at cation sites like Cd vacancy, V-Cd, and Te on Cd antisite, Te-Cd, because the environment surrounding the defect sites can have different configurations. We show that at a given composition, the transition energy levels of V-Cd and Te-Cd become close to the valence band maximum when the defect has more S atoms in their local environment, thus improving the device performance. Such beneficial role is also found at the grain boundaries when the Te atom is replaced by S in the Te-Te wrong bonds, reducing the energy of the grain boundary level. On the other hand, the transition levels with respect to the valence band edge of CdTe1-xSx increases with the S concentration as the valence band edge decreases with the S concentration, resulting in the reduced p-type doping efficiency. Published by AIP Publishing. C1 [Park, Ji-Sang; Yang, Ji-Hui; Barnes, Teresa] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Wei, Su-Huai] Beijing Computat Sci Res Ctr, Beijing 100094, Peoples R China. [Park, Ji-Sang] Argonne Natl Lab, 9700 Cass Ave, Lemont, IL 60439 USA. RP Park, JS (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA.; Park, JS (reprint author), Argonne Natl Lab, 9700 Cass Ave, Lemont, IL 60439 USA. EM jspark@anl.gov; suhuaiwei@csrc.ac.cn RI Park, Ji-Sang/F-9944-2010 OI Park, Ji-Sang/0000-0002-1374-8793 FU U.S. Department of Energy, EERE [DE-AC36-08GO28308] FX The work at NREL was supported by the U.S. Department of Energy, EERE, under Contract No. DE-AC36-08GO28308. NR 20 TC 0 Z9 0 U1 20 U2 20 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 25 PY 2016 VL 109 IS 4 AR 042105 DI 10.1063/1.4959848 PG 4 WC Physics, Applied SC Physics GA DT7SZ UT WOS:000381688900023 ER PT J AU Voronov, DL Lum, P Naulleau, P Gullikson, EM Fedorov, AV Padmore, HA AF Voronov, Dmitriy L. Lum, Paul Naulleau, Patrick Gullikson, Eric M. Fedorov, Alexei V. Padmore, Howard A. TI X-ray diffraction gratings: Precise control of ultra-low blaze angle via anisotropic wet etching SO APPLIED PHYSICS LETTERS LA English DT Article ID DEMULTIPLEXER; EFFICIENCY; CHEMISTRY AB Diffraction gratings are used from micron to nanometer wavelengths as dispersing elements in optical instruments. At shorter wavelengths, crystals can be used as diffracting elements, but due to the 3D nature of the interaction with light are wavelength selective rather than wavelength dispersing. There is an urgent need to extend grating technology into the x-ray domain of wavelengths from 1 to 0.1 nm, but this requires the use of gratings that have a faceted surface in which the facet angles are very small, typically less than 1 degrees. Small facet angles are also required in the extreme ultra-violet and soft x-ray energy ranges in free electron laser applications, in order to reduce power density below a critical damage threshold. In this work, we demonstrate a technique based on anisotropic etching of silicon designed to produce very small angle facets with a high degree of perfection. Published by AIP Publishing. C1 [Voronov, Dmitriy L.; Naulleau, Patrick; Gullikson, Eric M.; Fedorov, Alexei V.; Padmore, Howard A.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Lum, Paul] Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Voronov, DL (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX Advanced Light Source and Molecular Foundry are supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 12 TC 1 Z9 1 U1 9 U2 11 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 25 PY 2016 VL 109 IS 4 AR 043112 DI 10.1063/1.4960203 PG 4 WC Physics, Applied SC Physics GA DT7SZ UT WOS:000381688900048 ER PT J AU Lee, E Kim, DH Kim, HW Denlinger, JD Kim, H Kim, J Kim, K Min, BI Min, BH Kwon, YS Kang, JS AF Lee, Eunsook Kim, D. H. Kim, Hyun Woo Denlinger, J. D. Kim, Heejung Kim, Junwon Kim, Kyoo Min, B. I. Min, B. H. Kwon, Y. S. Kang, J. -S. TI The 7 x 1 Fermi Surface Reconstruction in a Two-dimensional f-electron Charge Density Wave System: PrTe3 SO SCIENTIFIC REPORTS LA English DT Article ID RARE-EARTH-ELEMENT; 3 DIMENSIONS; CE COMPOUNDS; RETE3 RE; PHOTOEMISSION; SOLIDS; CETE2; TEMPERATURE; PEIERLS AB The electronic structure of a charge density wave (CDW) system PrTe3 and its modulated structure in the CDW phase have been investigated by employing ARPES, XAS, Pr 4 f RPES, and first-principles band structure calculation. Pr ions are found to be nearly trivalent, supporting the CDW instability in the metallic Te sheets through partial filling. Finite Pr 4 f spectral weight is observed near the Fermi level, suggesting the non-negligible Pr 4 f contribution to the CDW formation through the Pr 4 f-Te 5p hybridization. The two-fold symmetric features in the measured Fermi surface (FS) of PrTe3 are explained by the calculated FS for the assumed 7 x 1 CDW supercell formation in Te sheets. The shadow bands and the corresponding very weak FSs are observed, which originate from both the band folding due to the 3D interaction of Te sheets with neighboring Pr-Te layers and that due to the CDW-induced FS reconstruction. The straight vertical FSs are observed along k(z), demonstrating the nearly 2D character for the near-E-F states. The observed linear dichroism reveals the in-plane orbital character of the near-E-F Te 5p states. C1 [Lee, Eunsook; Kim, D. H.; Kim, Hyun Woo; Kang, J. -S.] Catholic Univ Korea, Dept Phys, Bucheon 14662, South Korea. [Denlinger, J. D.] Lawrence Berkeley Lab, ALS, Berkeley, CA USA. [Kim, Heejung; Kim, Junwon; Kim, Kyoo; Min, B. I.] Pohang Univ Sci & Technol, Dept Phys, Pohang 37673, South Korea. [Kim, Kyoo] Pohang Univ Sci & Technol, MPPC CPM, Pohang 37673, South Korea. [Min, B. H.; Kwon, Y. S.] DGIST, Dept Emerging Mat Sci, Daegu 42988, South Korea. [Min, B. H.] Seoul Natl Univ, Dept Phys & Astron, CeNSCMR, Seoul 08826, South Korea. RP Kang, JS (reprint author), Catholic Univ Korea, Dept Phys, Bucheon 14662, South Korea. EM kangjs@catholic.ac.kr FU NRF [2014R1A1A2056546, 2015R1A2A1A15053564, 2011-0025237]; KISTI supercomputing center [KSC-2015-C3-068]; U.S. DOE [DE-AC02-05CH11231]; Basic Science Research Program of the NRF [2013R1A1A2009778]; MSIP in Korea; PAL in Korea FX This work was supported by the NRF under Contract No. 2014R1A1A2056546, No. 2015R1A2A1A15053564, and No. 2011-0025237, and also by the KISTI supercomputing center (No. KSC-2015-C3-068). The ALS is supported by U.S. DOE under Contract No. DE-AC02-05CH11231. BHM and YSK were supported by the Basic Science Research Program of the NRF (2013R1A1A2009778). The travel for the ARPES experiment at the ALS was supported in part by MSIP and PAL in Korea. NR 50 TC 1 Z9 1 U1 10 U2 18 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 25 PY 2016 VL 6 AR 30318 DI 10.1038/srep30318 PG 11 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9AS UT WOS:000380190100001 PM 27453329 ER PT J AU Balasa, F Abuaesh, N Gingu, CV Luican, II Zhu, HW AF Balasa, Florin Abuaesh, Noha Gingu, Cristian V. Luican, Ilie I. Zhu, Hongwei TI Energy-aware memory management for embedded multidimensional signal processing applications SO EURASIP JOURNAL ON EMBEDDED SYSTEMS LA English DT Article DE Memory management; Multidimensional signals; Signal-to-memory mapping; Scratch-pad memory banking; Polytopes and lattices ID ON-CHIP; SYSTEMS; REQUIREMENTS; OPTIMIZATION; ALGORITHM AB In real-time data-intensive multimedia processing applications, data transfer and storage significantly influence, if not dominate, all the major cost parameters of the design space-namely energy consumption, performance, and chip area. This paper presents an electronic design automation (EDA) methodology for the high-level design of hierarchical memory architectures in embedded data-intensive applications, mainly in the area of multidimensional signal processing. Different from the previous works, the problems of data assignment to the memory layers, of mapping the signals into the physical memories, and of banking the on-chip memory are addressed in a consistent way, based on the same formal model. This memory management framework employs techniques specific to the integral polyhedra based dependence analysis. The main design target is the reduction of the static and dynamic energy consumption in the hierarchical memory subsystem. C1 [Balasa, Florin; Abuaesh, Noha] Amer Univ Cairo, Dept Comp Sci & Engn, Cairo, Egypt. [Gingu, Cristian V.] Fermilab Natl Accelerator Lab, Batavia, IL USA. [Luican, Ilie I.] Microsoft Inc, Redmond, WA USA. [Zhu, Hongwei] ARM Inc, San Jose, CA USA. RP Balasa, F (reprint author), Amer Univ Cairo, Dept Comp Sci & Engn, Cairo, Egypt. EM fbalasa@aucegypt.edu NR 32 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER INTERNATIONAL PUBLISHING AG PI CHAM PA GEWERBESTRASSE 11, CHAM, CH-6330, SWITZERLAND SN 1687-3955 EI 1687-3963 J9 EURASIP J EMBED SYST JI EURASIP J. Embed. Syst. PD JUL 25 PY 2016 AR 6 DI 10.1186/s13639-016-0043-9 PG 20 WC Engineering, Electrical & Electronic SC Engineering GA DR8CE UT WOS:000380125200001 ER PT J AU Biggerstaff, M Alper, D Dredze, M Fox, S Fung, ICH Hickmann, KS Lewis, B Rosenfeld, R Shaman, J Tsou, MH Velardi, P Vespignani, A Finelli, L AF Biggerstaff, Matthew Alper, David Dredze, Mark Fox, Spencer Fung, Isaac Chun-Hai Hickmann, Kyle S. Lewis, Bryan Rosenfeld, Roni Shaman, Jeffrey Tsou, Ming-Hsiang Velardi, Paola Vespignani, Alessandro Finelli, Lyn CA Influenza Forecasting Contest Work TI Results from the centers for disease control and prevention's predict the 2013-2014 Influenza Season Challenge SO BMC INFECTIOUS DISEASES LA English DT Article DE Influenza; Forecasting; Prediction; Modeling ID UNITED-STATES; SURVEILLANCE; VACCINE AB Background: Early insights into the timing of the start, peak, and intensity of the influenza season could be useful in planning influenza prevention and control activities. To encourage development and innovation in influenza forecasting, the Centers for Disease Control and Prevention (CDC) organized a challenge to predict the 2013-14 Unites States influenza season. Methods: Challenge contestants were asked to forecast the start, peak, and intensity of the 2013-2014 influenza season at the national level and at any or all Health and Human Services (HHS) region level(s). The challenge ran from December 1, 2013-March 27, 2014; contestants were required to submit 9 biweekly forecasts at the national level to be eligible. The selection of the winner was based on expert evaluation of the methodology used to make the prediction and the accuracy of the prediction as judged against the U.S. Outpatient Influenza-like Illness Surveillance Network (ILINet). Results: Nine teams submitted 13 forecasts for all required milestones. The first forecast was due on December 2, 2013; 3/13 forecasts received correctly predicted the start of the influenza season within one week, 1/13 predicted the peak within 1 week, 3/13 predicted the peak ILINet percentage within 1 %, and 4/13 predicted the season duration within 1 week. For the prediction due on December 19, 2013, the number of forecasts that correctly forecasted the peak week increased to 2/13, the peak percentage to 6/13, and the duration of the season to 6/13. As the season progressed, the forecasts became more stable and were closer to the season milestones. Conclusion: Forecasting has become technically feasible, but further efforts are needed to improve forecast accuracy so that policy makers can reliably use these predictions. CDC and challenge contestants plan to build upon the methods developed during this contest to improve the accuracy of influenza forecasts. C1 [Biggerstaff, Matthew; Finelli, Lyn] Ctr Dis Control & Prevent, Influenza Div, Epidemiol & Prevent Branch, Atlanta, GA USA. [Alper, David] Everyday Hlth, New York, NY USA. [Dredze, Mark] Johns Hopkins Univ, Baltimore, MD USA. [Fox, Spencer] Univ Texas Austin, Austin, TX USA. [Fung, Isaac Chun-Hai] Georgia So Univ, Statesboro, GA USA. [Hickmann, Kyle S.] Los Alamos Natl Lab, Los Alamos, NM USA. [Hickmann, Kyle S.] Tulane Univ, New Orleans, LA USA. [Lewis, Bryan] Virginia Tech, Blacksburg, VA USA. [Rosenfeld, Roni] Carnegie Mellon Univ, Pittsburgh, PA USA. [Shaman, Jeffrey] Columbia Univ, New York, NY USA. [Tsou, Ming-Hsiang] San Diego State Univ, San Diego, CA USA. [Velardi, Paola] Sapienza Univ Roma, Rome, Italy. [Vespignani, Alessandro] Northeastern Univ, Boston, MA USA. RP Biggerstaff, M (reprint author), Ctr Dis Control & Prevent, Influenza Div, Epidemiol & Prevent Branch, Atlanta, GA USA. EM mbiggerstaff@cdc.gov OI Fung, Isaac Chun-Hai/0000-0001-5496-2529; Eggo, Rosalind M/0000-0002-0362-6717 FU National Institute of General Medical Sciences of the National Institutes of Health [5U01GM070694-13]; Defense Threat Reduction Agency Comprehensive National Incident Management System [HDTRA1-11-D-0016-0001]; Centers for Disease Control and Prevention [15IPA1509134]; NIH [GM100467, GM110748, 1U54GM088558]; National Science Foundation [1416509]; National Institute of General Medical Sciences MIDAS [U01GM087719] FX BL: Research reported in this publication was supported by the National Institute of General Medical Sciences of the National Institutes of Health under award number 5U01GM070694-13 and the Defense Threat Reduction Agency Comprehensive National Incident Management System Contract HDTRA1-11-D-0016-0001.; ICHF received salary support from the Centers for Disease Control and Prevention (15IPA1509134). This paper is not related to his CDC-funded projects.; JS: NIH grants GM100467, GM110748 and 1U54GM088558; MHT: This material is partially based upon work supported by the National Science Foundation under Grant No. 1416509, project titled "Spatiotemporal Modeling of Human Dynamics Across Social Media and Social Networks".; SF: Received funding through National Institute of General Medical Sciences MIDAS grant (U01GM087719). NR 37 TC 4 Z9 4 U1 2 U2 3 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2334 J9 BMC INFECT DIS JI BMC Infect. Dis. PD JUL 22 PY 2016 VL 16 AR 357 DI 10.1186/s12879-016-1669-x PG 10 WC Infectious Diseases SC Infectious Diseases GA DS7XA UT WOS:000380995100001 PM 27449080 ER PT J AU Bale, JB Gonen, S Liu, YX Sheffler, W Ellis, D Thomas, C Cascio, D Yeates, TO Gonen, T King, NP Baker, D AF Bale, Jacob B. Gonen, Shane Liu, Yuxi Sheffler, William Ellis, Daniel Thomas, Chantz Cascio, Duilio Yeates, Todd O. Gonen, Tamir King, Neil P. Baker, David TI Accurate design of megadalton-scale two-component icosahedral protein complexes SO SCIENCE LA English DT Article ID COMPUTATIONAL DESIGN; VIRUS; SYMMETRY; ASSEMBLIES; NANOMATERIALS; PRINCIPLES; INTERFACES; RESOLUTION; HOMODIMER; CONTAINER AB Nature provides many examples of self-and co-assembling protein-based molecular machines, including icosahedral protein cages that serve as scaffolds, enzymes, and compartments for essential biochemical reactions and icosahedral virus capsids, which encapsidate and protect viral genomes and mediate entry into host cells. Inspired by these natural materials, we report the computational design and experimental characterization of co-assembling, two-component, 120-subunit icosahedral protein nanostructures with molecular weights (1.8 to 2.8 megadaltons) and dimensions (24 to 40 nanometers in diameter) comparable to those of small viral capsids. Electron microscopy, small-angle x-ray scattering, and x-ray crystallography show that 10 designs spanning three distinct icosahedral architectures form materials closely matching the design models. In vitro assembly of icosahedral complexes from independently purified components occurs rapidly, at rates comparable to those of viral capsids, and enables controlled packaging of molecular cargo through charge complementarity. The ability to design megadalton-scale materials with atomic-level accuracy and controllable assembly opens the door to a new generation of genetically programmable protein-based molecular machines. C1 [Bale, Jacob B.; Gonen, Shane; Sheffler, William; King, Neil P.; Baker, David] Univ Washington, Dept Biochem, Seattle, WA 98195 USA. [Bale, Jacob B.] Univ Washington, Grad Program Mol & Cellular Biol, Seattle, WA 98195 USA. [Gonen, Shane; Gonen, Tamir] Janelia Res Campus, Howard Hughes Med Inst, Ashburn, VA 20147 USA. [Liu, Yuxi; Cascio, Duilio; Yeates, Todd O.] Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. [Ellis, Daniel; King, Neil P.; Baker, David] Univ Washington, Inst Prot Design, Seattle, WA 98195 USA. [Thomas, Chantz] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Cascio, Duilio; Yeates, Todd O.] Univ Calif Los Angeles, Dept Energy DOE, Inst Genom & Prote, Los Angeles, CA 90095 USA. [Cascio, Duilio] Univ Calif Los Angeles, Dept Biol Chem, Los Angeles, CA 90095 USA. [Cascio, Duilio] Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90095 USA. [Baker, David] Univ Washington, Howard Hughes Med Inst, Seattle, WA 98195 USA. RP King, NP; Baker, D (reprint author), Univ Washington, Dept Biochem, Seattle, WA 98195 USA.; King, NP; Baker, D (reprint author), Univ Washington, Inst Prot Design, Seattle, WA 98195 USA.; Baker, D (reprint author), Univ Washington, Howard Hughes Med Inst, Seattle, WA 98195 USA. EM neilking@uw.edu; dabaker@uw.edu OI Yeates, Todd/0000-0001-5709-9839 FU DOE [DE-FC02-02ER63421, DE-AC02-06CH11357]; National Center for Research Resources [5P41RR015301-10]; National Institute of General Medical Sciences of the National Institutes of Health [8 P41 GM103403-10]; DOE Office of Biological and Environmental Research Integrated Diffraction Analysis program; NIH project MINOS (Macromolecular Insights on Nucleic Acids Optimized by Scattering) [RO1GM105404]; Howard Hughes Medical Institute; Janelia Research Campus visitor program; Bill and Melinda Gates Foundation; Takeda Pharmaceutical Company; NSF [CHE-1332907, DGE-0718124]; Air Force Office of Scientific Research [FA950-12-10112]; Defense Advanced Research Projects Agency [W911NF-14-1-0162]; Whitcome Fellowship through the UCLA Molecular Biology Institute FX We thank M. Sawaya and M. Collazo for their assistance with crystallography, conducted at the UCLA-DOE X-ray Crystallization and Crystallography Core Facilities, which are supported by DOE grant DE-FC02-02ER63421. We thank M. Capel, K. Rajashankar, N. Sukumar, J. Schuermann, I. Kourinov, and F. Murphy at Northeastern Collaborative Access Team beamlines 24-ID-E and 24-ID-C at the Advanced Photon Source (APS), which are supported by grants from the National Center for Research Resources (5P41RR015301-10) and the National Institute of General Medical Sciences (8 P41 GM103403-10) of the National Institutes of Health. Use of the APS is supported by DOE under contract no. DE-AC02-06CH11357. We thank the staff at the Advanced Light Source SIBYLS beamline at Lawrence Berkeley National Laboratory, including K. Burnett, G. Hura, M. Hammel, J. Tanamachi, and J. Tainer for the services provided through the mail-in SAXS program, which is supported by the DOE Office of Biological and Environmental Research Integrated Diffraction Analysis program and the NIH project MINOS (Macromolecular Insights on Nucleic Acids Optimized by Scattering; grant no. RO1GM105404). We also thank U. Nattermann for help with EM, Y. Hsia for assistance with light-scattering experiments, C. Stafford for mass spectroscopy assistance, B. Nickerson for assistance with in vitro assembly experiments, and G. Rocklin for providing scripts used in data analysis. This work was supported by the Howard Hughes Medical Institute (S.G., D.C., T.G., and D.B.) and its Janelia Research Campus visitor program (S.G.), the Bill and Melinda Gates Foundation (D.B. and N.P.K.), Takeda Pharmaceutical Company (N.P.K.), NSF (grant no. CHE-1332907 to D.B. and T.O.Y.), the Air Force Office of Scientific Research (grant no. FA950-12-10112 to D.B.), and the Defense Advanced Research Projects Agency (grant no. W911NF-14-1-0162 to D.B. and N.P.K.). Y.L. was supported by a Whitcome Fellowship through the UCLA Molecular Biology Institute, and J.B.B. was supported by a NSF graduate research fellowship (grant no. DGE-0718124). Coordinates and structure factors were deposited in the Protein Data Bank with accession codes 5IM5 (I53-40), 5IM4 (I52-32), and 5IM6 (I32-28). J.B.B., W.S., N.P.K., D.E., and D.B. have filed a nonprovisional U.S. patent application, no. 14/930,792, related to the work presented herein. NR 37 TC 14 Z9 15 U1 27 U2 38 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD JUL 22 PY 2016 VL 353 IS 6297 BP 389 EP 394 DI 10.1126/science.aaf8818 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS2HB UT WOS:000380583400043 PM 27463675 ER PT J AU Wang, YF Jove-Colon, CF Kuhlman, KL AF Wang, Yifeng Jove-Colon, Carlos F. Kuhlman, Kristopher L. TI Nonlinear dynamics and instability of aqueous dissolution of silicate glasses and minerals SO SCIENTIFIC REPORTS LA English DT Article ID BOROSILICATE GLASS; ATMOSPHERIC CO2; LAYER FORMATION; CORROSION; KINETICS; TEMPERATURE; MECHANISM; RATES; TERM; SURFACE AB Aqueous dissolution of silicate glasses and minerals plays a critical role in global biogeochemical cycles and climate evolution. The reactivity of these materials is also important to numerous engineering applications including nuclear waste disposal. The dissolution process has long been considered to be controlled by a leached surface layer in which cations in the silicate framework are gradually leached out and replaced by protons from the solution. This view has recently been challenged by observations of extremely sharp corrosion fronts and oscillatory zonings in altered rims of the materials, suggesting that corrosion of these materials may proceed directly through congruent dissolution followed by secondary mineral precipitation. Here we show that complex silicate material dissolution behaviors can emerge from a simple positive feedback between dissolution-induced cation release and cation-enhanced dissolution kinetics. This self-accelerating mechanism enables a systematic prediction of the occurrence of sharp dissolution fronts (vs. leached surface layers), oscillatory dissolution behaviors and multiple stages of glass dissolution (in particular the alteration resumption at a late stage of a corrosion process). Our work provides a new perspective for predicting long-term silicate weathering rates in actual geochemical systems and developing durable silicate materials for various engineering applications. C1 [Wang, Yifeng; Jove-Colon, Carlos F.; Kuhlman, Kristopher L.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Wang, YF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ywang@sandia.gov OI Kuhlman, Kristopher/0000-0003-3397-3653 FU DOE Used Fuel Disposition (UFD) Program; Energy Frontier Research Center (EFRC) - U.S. Department of Energy (DOE), Office of Sciences (BES); Sandia National Laboratories Laboratory-Directed Research & Development (LDRD) Program; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The work was supported by DOE Used Fuel Disposition (UFD) Program, by an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy (DOE), Office of Sciences (BES), and also by Sandia National Laboratories Laboratory-Directed Research & Development (LDRD) Program. NR 33 TC 0 Z9 0 U1 11 U2 12 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 22 PY 2016 VL 6 AR 30256 DI 10.1038/srep30256 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9OJ UT WOS:000380225700001 PM 27443508 ER PT J AU Hao, GX Stover, E Gupta, G AF Hao, Guixia Stover, Ed Gupta, Goutam TI Overexpression of a Modified Plant Thionin Enhances Disease Resistance to Citrus Canker and Huanglongbing (HLB) SO FRONTIERS IN PLANT SCIENCE LA English DT Article DE Xanthomonas citri; Candidatus Liberibacter asiaticus; modified plant thionin; gene cloning and expression; disease resistance; transgenic plant ID CANDIDATUS LIBERIBACTER ASIATICUS; AXONOPODIS PV. CITRI; MAXIMUM-LIKELIHOOD; XANTHOMONAS-CITRI; SUSCEPTIBILITY; TRANSMISSION; ARABIDOPSIS; PROTEINS; DEFENSE; BARLEY AB Huanglongbing (HLB or citrus greening disease) caused by Candidatus Liberibacter asiaticus (Las) is a great threat to the US citrus industry. There are no proven strategies to eliminate HLB disease and no cultivar has been identified with strong HLB resistance. Citrus canker is also an economically important disease associated with a bacterial pathogen (Xanthornonas citri). In this study, we characterized endogenous citrus thionins and investigated their expression in different citrus tissues. Since no HLB-resistant citrus cultivars have been identified, we attempted to develop citrus resistant to both HLB and citrus canker through overexpression of a modified plant thionin. To improve effectiveness for disease resistance, we modified and synthesized the sequence encoding a plant thionin and cloned into the binary vector pBinPlus/ARS. The construct was then introduced into Agrobacterium strain EHA105 for citrus transformation. Transgenic Carrizo plants expressing the modified plant thionin were generated by Agrobactenum-mediated transformation. Successful transformation and transgene gene expression was confirmed by molecular analysis. Transgenic Carrizo plants expressing the modified thionin gene were challenged with X citri 3213 at a range of concentrations, and a significant reduction in canker symptoms and a decrease in bacterial growth were demonstrated compared to nontransgenic plants. Furthermore, the transgenic citrus plants were challenged with HLB via graft inoculation. Our results showed significant Las titer reduction in roots of transgenic Carrizo compared with control plants and reduced scion Las titer 12 months after graft inoculation. These data provide promise for engineering citrus disease resistance against HLB and canker. C1 [Hao, Guixia; Stover, Ed] ARS, US Hort Res Lab, USDA, Ft Pierce, FL USA. [Gupta, Goutam] Los Alamos Natl Lab, Los Alamos, NM USA. RP Hao, GX; Stover, E (reprint author), ARS, US Hort Res Lab, USDA, Ft Pierce, FL USA. EM guixia.hao@ars.usda.gov; ed.stover@ars.usda.gov FU Citrus Research and Development Foundation FX We thank Ellen Cochrane, Yolanda Avila, Jennifer Wildonger, and Megan Geraghty for their excellent technical assistance. Funding was provided by the Citrus Research and Development Foundation. We also thank Dr. Godfrey Miles and Dr. Bill Belknap for their critical reviews. Mention of trade names or commercial products is solely for the purpose of providing specific information and does not imply recommendation or endorsement by the US Department of Agriculture. NR 45 TC 1 Z9 1 U1 22 U2 36 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-462X J9 FRONT PLANT SCI JI Front. Plant Sci. PD JUL 22 PY 2016 VL 7 AR 1078 DI 10.3389/fpls.2016.01078 PG 11 WC Plant Sciences SC Plant Sciences GA DR6KM UT WOS:000380010800001 PM 27499757 ER PT J AU Anand, VK Johnston, DC AF Anand, V. K. Johnston, D. C. TI Metallic behavior induced by potassium doping of the trigonal antiferromagnetic insulator EuMn2As2 SO PHYSICAL REVIEW B LA English DT Article ID IRON-BASED SUPERCONDUCTORS; HIGH-TEMPERATURE SUPERCONDUCTIVITY; RARE EARTH METALS; ELECTRONIC-PROPERTIES; CAAL2SI2 STRUCTURE; AB2X2 COMPOUNDS; PHYSICAL-PROPERTIES; MAGNETIC-STRUCTURE; CRYSTAL-STRUCTURE; ZINTL PHASES AB We report magnetic susceptibility chi, isothermal magnetization M, heat capacity C-p, and electrical resistivity rho measurements on undoped EuMn2As2 and K-doped Eu0.96K0.04Mn2As2 and Eu0.93K0.07Mn2As2 single crystals with the trigonal CaAl2Si2-type structure as a function of temperature T and magnetic field H. EuMn2As2 has an insulating ground state with an activation energy of 52 meV and exhibits antiferromagnetic (AFM) ordering of the Eu+2 spins S = 7/2 at T-N1 = 15 K from C-p(T) and chi(T) data with a likely spin-reorientation transition at T-N2 = 5.0 K. TheMn(+) 2 3d(5) spins-5/2 exhibit AFM ordering at T-N = 142 K from all three types of measurements. The M(H) isotherm and chi(T) data indicate that the Eu AFM structure is both noncollinear and noncoplanar. The AFM structure of the Mn spins is also unclear. A 4% substitution of K for Eu in Eu0.96K0.04Mn2As2 is sufficient to induce a metallic ground state. Evidence is found for a difference in the AFM structure of the Eu moments in the metallic crystals from that of undoped EuMn2As2 versus both T and H. For metallic Eu0.96K0.04Mn2As2 and Eu0.93K0.07Mn2As2, an anomalous S-shape T dependence of rho related to the Mn magnetism is found. Upon cooling from 200 K, rho exhibits a strong negative curvature, reaches maximum positive slope at the Mn T-N approximate to 150 K, and then continues to decrease but more slowly below T-N. This suggests that dynamic short-range AFM order of the Mn spins above the Mn T-N strongly suppresses the resistivity, contrary to the conventional decrease of rho that is only observed upon cooling below T-N of an antiferromagnet. C1 [Anand, V. K.; Johnston, D. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Anand, V. K.; Johnston, D. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Anand, V. K.] Helmholtz Zentrum Berlin Mat & Energie GmbH, Hahn Meitner Pl 1, D-14109 Berlin, Germany. RP Anand, VK (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA.; Anand, VK (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA.; Anand, VK (reprint author), Helmholtz Zentrum Berlin Mat & Energie GmbH, Hahn Meitner Pl 1, D-14109 Berlin, Germany. EM vivekkranand@gmail.com; johnston@ameslab.gov RI Anand, Vivek Kumar/J-3381-2013 OI Anand, Vivek Kumar/0000-0003-2023-7040 FU US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; US Department of Energy by Iowa State University [DE-AC02-07CH11358] FX Helpful discussions with P. Das, A. Goldman, A. Kreyssig, A. Pandey, and N. S. Sangeetha are gratefully acknowledged. This research was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the US Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 83 TC 0 Z9 0 U1 12 U2 32 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 22 PY 2016 VL 94 IS 1 AR 014431 DI 10.1103/PhysRevB.94.014431 PG 19 WC Physics, Condensed Matter SC Physics GA DR7RO UT WOS:000380097600002 ER PT J AU Kinoshita, M Seki, S Sato, TJ Nambu, Y Hong, T Matsuda, M Cao, HB Ishiwata, S Tokura, Y AF Kinoshita, M. Seki, S. Sato, T. J. Nambu, Y. Hong, T. Matsuda, M. Cao, H. B. Ishiwata, S. Tokura, Y. TI Magnetic Reversal of Electric Polarization with Fixed Chirality of Magnetic Structure in a Chiral-Lattice Helimagnet MnSb2O6 SO PHYSICAL REVIEW LETTERS LA English DT Article ID MULTIFERROIC MATERIAL; FERROELECTRICITY; ORDER AB The correlation between magnetic and dielectric properties has been investigated for the single crystal of the chiral triangular-lattice helimagnet MnSb2O6. We found that the spin-spiral plane in the ground state has a considerable tilting from the (110) plane and that the sign of the spin-spiral tilting angle is coupled to the clockwise or counterclockwise manner of spin rotation and accordingly to the sign of magnetically induced electric polarization. This leads to unique magnetoelectric responses such as the magnetic-field-induced selection of a single ferroelectric domain as well as the reversal of electric polarization just by a slight tilting of the magnetic field direction, where the chiral nature of the crystal structure plays a crucial role through the coupling of the chirality between the crystal and magnetic structures. Our results demonstrate that crystallographic chirality can be an abundant source of novel magnetoelectric functions with coupled internal degrees of freedom. C1 [Kinoshita, M.; Ishiwata, S.; Tokura, Y.] Univ Tokyo, Dept Appl Phys, Tokyo 1138656, Japan. [Kinoshita, M.; Ishiwata, S.; Tokura, Y.] Univ Tokyo, QPEC, Tokyo 1138656, Japan. [Seki, S.; Tokura, Y.] RIKEN, CEMS, Wako, Saitama 3510198, Japan. [Seki, S.; Ishiwata, S.] Japan Sci & Technol Agcy JST, PRESTO, Tokyo 1028666, Japan. [Sato, T. J.; Nambu, Y.] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan. [Hong, T.; Matsuda, M.; Cao, H. B.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RP Seki, S (reprint author), RIKEN, CEMS, Wako, Saitama 3510198, Japan.; Seki, S (reprint author), Japan Sci & Technol Agcy JST, PRESTO, Tokyo 1028666, Japan. EM shinichiro.seki@riken.jp RI Tokura, Yoshinori/C-7352-2009; Matsuda, Masaaki/A-6902-2016; Nambu, Yusuke/C-3863-2012; Sato, Taku/I-7664-2015; Ishiwata, Shintaro/A-2637-2010 OI Matsuda, Masaaki/0000-0003-2209-9526; Nambu, Yusuke/0000-0003-1167-7124; Sato, Taku/0000-0003-2511-4998; Ishiwata, Shintaro/0000-0003-1696-2514 FU Mitsubishi Foundation; MEXT of Japan [26610109, 15H05458, 24224009, 16K13842]; FIRST Program by Japan Society for the Promotion of Science (JSPS); Division of Scientific User Facilities, Office of Basic Energy Science, U.S. Department of Energy (DOE); U.S.-Japan Cooperative Program on Neutron Scattering FX The authors thank H. Sakai, T. Kurumaji, N. Nagaosa, and T. Arima for enlightening discussions and experimental help. This work was partly supported by the Mitsubishi Foundation, Grants-In-Aid for Scientific Research (Grants No. 26610109, No. 15H05458, No. 24224009, and No. 16K13842) from the MEXT of Japan, and FIRST Program by the Japan Society for the Promotion of Science (JSPS). The work at the HFIR, Oak Ridge National Laboratory, was sponsored by the Division of Scientific User Facilities, Office of Basic Energy Science, U.S. Department of Energy (DOE), and was supported by the U.S.-Japan Cooperative Program on Neutron Scattering. NR 28 TC 2 Z9 2 U1 15 U2 40 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 22 PY 2016 VL 117 IS 4 AR 047201 DI 10.1103/PhysRevLett.117.047201 PG 5 WC Physics, Multidisciplinary SC Physics GA DR8BW UT WOS:000380124400013 PM 27494497 ER PT J AU Snijders, PC Sen, C McConnell, MP Ma, YZ May, AF Herklotz, A Wong, AT Ward, TZ AF Snijders, Paul C. Sen, Cengiz McConnell, Michael P. Ma, Ying-Zhong May, Andrew F. Herklotz, Andreas Wong, Anthony T. Ward, T. Zac TI Dynamic defect correlations dominate activated electronic transport in SrTiO3 SO SCIENTIFIC REPORTS LA English DT Article ID PERSISTENT PHOTOCONDUCTIVITY; KOHLRAUSCH EXPONENT; LUMINESCENCE; RELAXATION; SURFACE; OXIDES; STOICHIOMETRY; TEMPERATURE; INTERFACE; MOBILITY AB Strontium titanate (SrTiO3, STO) is a critically important material for the study of emergent electronic phases in complex oxides, as well as for the development of applications based on their heterostructures. Despite the large body of knowledge on STO, there are still many uncertainties regarding the role of defects in the properties of STO, including their influence on ferroelectricity in bulk STO and ferromagnetism in STO-based heterostructures. We present a detailed analysis of the decay of persistent photoconductivity in STO single crystals with defect concentrations that are relatively low but significantly affect their electronic properties. The results show that photo-activated electron transport cannot be described by a superposition of the properties due to independent point defects as current models suggest but is, instead, governed by defect complexes that interact through dynamic correlations. These results emphasize the importance of defect correlations for activated electronic transport properties of semiconducting and insulating perovskite oxides. C1 [Snijders, Paul C.; May, Andrew F.; Herklotz, Andreas; Wong, Anthony T.; Ward, T. Zac] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Snijders, Paul C.; McConnell, Michael P.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Sen, Cengiz] Lamar Univ, Dept Phys, Beaumont, TX 77710 USA. [Ma, Ying-Zhong] Oak Ridge Natl Lab, Chem Sci Div, Oak Ridge, TN 37831 USA. RP Snijders, PC; Ward, TZ (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.; Snijders, PC (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM snijderspc@ornl.gov; wardtz@ornl.gov RI Ma, Yingzhong/L-6261-2016; May, Andrew/E-5897-2011; OI Ma, Yingzhong/0000-0002-8154-1006; May, Andrew/0000-0003-0777-8539; Ward, Thomas/0000-0002-1027-9186 FU Laboratory Directed Research and Development Program of Oak Ridge National Laboratory; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division FX P.C.S. thanks T. Egami for insightful discussions. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy. We acknowledge partial support from the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division (M.P.M., A.H., A.W.). Y.-Z.M. was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division. NR 44 TC 0 Z9 0 U1 25 U2 36 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 22 PY 2016 VL 6 AR 30141 DI 10.1038/srep30141 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR6OU UT WOS:000380022000001 PM 27443503 ER PT J AU Shen, Y Kevrekidis, PG Srinivasan, G Aceves, AB AF Shen, Y. Kevrekidis, P. G. Srinivasan, G. Aceves, A. B. TI Existence, stability and dynamics of discrete solitary waves in a binary waveguide array SO JOURNAL OF PHYSICS A-MATHEMATICAL AND THEORETICAL LA English DT Article DE binary waveguide array; anti-continuum limit; discrete solitary waves ID LOCALIZED MODES; OPTICAL LATTICES; BREATHERS; SOLITONS AB Recent work has explored binary waveguide arrays in the long-wavelength, near-continuum limit, here we examine the opposite limit, namely the vicinity of the so-called anti-continuum limit. We provide a systematic discussion of states involving one, two and three excited waveguides, and provide comparisons that illustrate how the stability of these states differ from the monoatomic limit of a single type of waveguide. We do so by developing a general theory which systematically tracks down the key eigenvalues of the linearized system. When we find the states to be unstable, we explore their dynamical evolution through direct numerical simulations. The latter typically illustrate, for the parameter values considered herein, the persistence of localized dynamics and the emergence for the duration of our simulations of robust quasi-periodic states for two excited sites. As the number of excited nodes increases, the unstable dynamics feature less regular oscillations of the solution's amplitude. C1 [Shen, Y.; Aceves, A. B.] So Methodist Univ, Dept Math, Dallas, TX 75275 USA. [Kevrekidis, P. G.] Univ Massachusetts, Dept Math & Stat, Amherst, MA 01003 USA. [Kevrekidis, P. G.] Los Alamos Natl Lab, Ctr Nonlinear Studies, POB 1663, Los Alamos, NM 87544 USA. [Kevrekidis, P. G.; Srinivasan, G.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. RP Shen, Y (reprint author), So Methodist Univ, Dept Math, Dallas, TX 75275 USA. EM yannans@smu.edu FU ERC under FP7, Marie Curie Actions, People, International Research Staff Exchange Scheme [IRSES-605096]; US DoE; National Science Foundation [NSF-ECCS-1128593]; [NSF-DMS-1312856] FX PGK gratefully acknowledges support from NSF-DMS-1312856, as well as from BSF-2010239 and from the ERC under FP7, Marie Curie Actions, People, International Research Staff Exchange Scheme (IRSES-605096). He also acknowledges the hospitality of the Center for Nonlinear Studies and the Los Alamos National Laboratory during the preparation of this work. Research at Los Alamos is supported in part by the US DoE. Work by ABA was supported by the National Science Foundation through the NSF-ECCS-1128593 IDR grant. NR 37 TC 0 Z9 0 U1 4 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1751-8113 EI 1751-8121 J9 J PHYS A-MATH THEOR JI J. Phys. A-Math. Theor. PD JUL 22 PY 2016 VL 49 IS 29 AR 295205 DI 10.1088/1751-8113/49/29/295205 PG 18 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA DO9HX UT WOS:000378097300009 ER PT J AU Liu, SZ White, MG Liu, P AF Liu, Shizhong White, Michael G. Liu, Ping TI Mechanism of Oxygen Reduction Reaction on Pt(111) in Alkaline Solution: Importance of Chemisorbed Water on Surface SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID INITIO MOLECULAR-DYNAMICS; STEPPED PLATINUM SURFACES; TOTAL-ENERGY CALCULATIONS; MONTE-CARLO SIMULATIONS; AUGMENTED-WAVE METHOD; FUEL-CELL CATHODE; METAL-SURFACES; ACIDIC MEDIA; CATALYTIC-ACTIVITY; AT-PT AB We report a detailed mechanistic study of the oxygen reduction reaction (ORR) on Pt(111) in alkaline solution, combining density functional theory and kinetic Monte Carlo simulations. A complex reaction network including four possible pathways via either 2e(-) or 4e(-) transfer is established and is able to reproduce the experimental measured polarization curve at both low-and high-potential regions. Our results show that it is essential to account for solvation by water and the dynamic coverage of *OH to describe the reaction kinetics well. In addition, a chemisorbed water (*H2O)-mediated mechanism including 4e(-) transfers is identified, where the reduction steps via *H2O on the surface are potential-independent and only the final removal of *OH from the surface in the form of OH-(aq) contributes to the current. For the ORR in alkaline solutions, such a mechanism is more competitive than the associative and dissociative mechanisms typically used to describe the ORR. in acid solution. Finally, *OH and **O-2 intermediates are found to be critically important for tuning the ORR activity of Pt in alkaline solution. To enhance the activity, the binding of Pt should be tuned in such a way that *OH binding is weak enough to release more surface sites under working conditions, while **O-2 binding is strong enough to enable the ORR via the 4e(-) transfer mechanism. C1 [Liu, Shizhong; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [White, Michael G.; Liu, Ping] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Liu, P (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM pingliu3@bnl.gov FU Office of Science of the U.S. DOE [DE-AC02-05CH11231]; U.S. Department of Energy, Division of Chemical Sciences [DE-SC0012704] FX The research was carried out at Brookhaven National Laboratory under Contract DE-SC0012704 with the U.S. Department of Energy, Division of Chemical Sciences. The DFT calculations were performed using computational resources at the Center for Functional Nanomaterials, a user facility at Brookhaven National Laboratory, and at the National Energy Research Scientific Computing Center (NERSC), which is supported by the Office of Science of the U.S. DOE under Contract DE-AC02-05CH11231. NR 96 TC 3 Z9 3 U1 4 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 21 PY 2016 VL 120 IS 28 BP 15288 EP 15298 DI 10.1021/acs.jpcc.6b05126 PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS2HV UT WOS:000380590600034 ER PT J AU Cohen, T Dolan, MJ El Hedri, S Hirschauer, J Tran, N Whitbeck, A AF Cohen, Timothy Dolan, Matthew J. El Hedri, Sonia Hirschauer, James Nhan Tran Whitbeck, Andrew TI Dissecting jets and missing energy searches using n-body extended simplified models SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Beyond Standard Model; Hadron-Hadron scattering (experiments); Dark matter; Supersymmetry ID BOOSTED DECISION TREES; PARTICLE IDENTIFICATION; SPLIT SUPERSYMMETRY; HADRON COLLIDERS; MEASURING MASSES AB Simplified Models are a useful way to characterize new physics scenarios for the LHC. Particle decays are often represented using non-renormalizable operators that involve the minimal number of fields required by symmetries. Generalizing to a wider class of decay operators allows one to model a variety of final states. This approach, which we dub the n-body extension of Simplified Models, provides a unifying treatment of the signal phase space resulting from a variety of signals. In this paper, we present the first application of this framework in the context of multijet plus missing energy searches. The main result of this work is a global performance study with the goal of identifying which set of observables yields the best discriminating power against the largest Standard Model backgrounds for a wide range of signal jet multiplicities. Our analysis compares combinations of one, two and three variables, placing emphasis on the enhanced sensitivity gain resulting from non-trivial correlations. Utilizing boosted decision trees, we compare and classify the performance of missing energy, energy scale and energy structure observables. We demonstrate that including an observable from each of these three classes is required to achieve optimal performance. This work additionally serves to establish the utility of n-body extended Simplified Models as a diagnostic for unpacking the relative merits of different search strategies, thereby motivating their application to new physics signatures beyond jets and missing energy. C1 [Cohen, Timothy] Univ Oregon, Inst Theoret Sci, Eugene, OR 97403 USA. [Dolan, Matthew J.] Univ Melbourne, Sch Phys, ARC Ctr Excellence Particle Phys Terascale, Melbourne, Vic 3010, Australia. [El Hedri, Sonia] Johannes Gutenberg Univ Mainz, Inst Phys THEP, D-55099 Mainz, Germany. [Hirschauer, James; Nhan Tran; Whitbeck, Andrew] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RP Cohen, T (reprint author), Univ Oregon, Inst Theoret Sci, Eugene, OR 97403 USA. EM tcohen@uoregon.edu; matthew.dolan@unimelb.edu.au; elhed001@@uni-mainz.de; jhirsch@fnal.gov; ntran@fnal.gov; awhitbe1@fnal.gov FU LHC Theory Initiative Postdoctoral Fellowship, under the National Science Foundation [PHY-0969510]; National Science Foundation [NSF PHY11-25915]; Australian Research Council; Cluster of Excellence Precision Physics; Fundamental Interactions and Structure of Matter [PRISMA-EXC 1098]; Mainz Institute for Theoretical Physics; Fermi Research Alliance, LLC [De-AC02-07CH11359]; United States Department of Energy; Department of Energy, Office of Science, Office of High Energy Physics [FNAL 14-05] FX We thank Jeff Richman, Scott Thomas, Keith Ulmer, Hannsjoerg Weber, and Si Xie for useful conversations and comments to this manuscript. TC is supported by an LHC Theory Initiative Postdoctoral Fellowship, under the National Science Foundation grant PHY-0969510, and also thanks the KITP at UCSB, where this work was competed and the related support from the National Science Foundation under grant NSF PHY11-25915. MD is supported by the Australian Research Council, and whose research was undertaken partly at the Munich Institute for Astro- and Particle Physics (MIAPP), part of the DFG cluster of excellence "Origin and Structure of the Universe". SEH is supported by the Cluster of Excellence Precision Physics, Fundamental Interactions and Structure of Matter (PRISMA-EXC 1098) and the Mainz Institute for Theoretical Physics. JH, NT, and AW are supported by Fermi Research Alliance, LLC under Contract No. De-AC02-07CH11359 with the United States Department of Energy. JH and AW are specifically supported by an Early Career Award (FNAL 14-05) from the Department of Energy, Office of Science, Office of High Energy Physics. NR 69 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUL 21 PY 2016 IS 8 AR 038 DI 10.1007/JHEP08(2016)038 PG 43 WC Physics, Particles & Fields SC Physics GA EH4PN UT WOS:000391753200001 ER PT J AU Degrassi, G Giardino, PP Grober, R AF Degrassi, Giuseppe Giardino, Pier Paolo Grober, Ramona TI On the two-loop virtual QCD corrections to Higgs boson pair production in the standard model SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID B(B)OVER-BARB(B)OVER-BAR FINAL-STATE; FEYNMAN DIAGRAMS; ATLAS DETECTOR; LHC; SEARCH; MASS; COLLISIONS; EXPANSION; NLO AB We compute the next-to-leading order virtual QCD corrections to Higgs-pair production via gluon fusion. We present analytic results for the two-loop contributions to the spin-0 and spin-2 form factors in the amplitude. The reducible contributions, given by the double-triangle diagrams, are evaluated exactly while the two-loop irreducible diagrams are evaluated by an asymptotic expansion in heavy top-quark mass up to and including terms of O(1/m(t)(8)). Assuming that the finite top-quarkmass effects are of similar size in the entire range of partonic energies, we estimate that mass effects can reduce the hadronic cross section by at most 10 %. C1 [Degrassi, Giuseppe; Giardino, Pier Paolo] Univ Rome Tre, Dipartimento Matemat & Fis, I-00146 Rome, Italy. [Degrassi, Giuseppe; Grober, Ramona] Ist Nazl Fis Nucl, Sez Roma Tre, I-00146 Rome, Italy. [Giardino, Pier Paolo] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Degrassi, G (reprint author), Univ Rome Tre, Dipartimento Matemat & Fis, I-00146 Rome, Italy.; Degrassi, G (reprint author), Ist Nazl Fis Nucl, Sez Roma Tre, I-00146 Rome, Italy. EM degrassi@fis.uniroma3.it; pgiardino@bnl.gov; groeber@roma3.infn.it OI Groeber, Ramona/0000-0002-1873-6230 FU United States Department of Energy [de-sc0012704] FX R.G. would like to thank Jens Hoff for clarifications concerning Refs. [48,49]. G.D. thanks Pietro Slavich for useful comments. The work of P.P.G. was partially supported by the United States Department of Energy under Grant Contracts de-sc0012704. NR 65 TC 4 Z9 4 U1 3 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD JUL 21 PY 2016 VL 76 IS 7 AR 411 DI 10.1140/epjc/s10052-016-4256-9 PG 13 WC Physics, Particles & Fields SC Physics GA DT1AZ UT WOS:000381215400002 ER PT J AU Adhikari, SP Hood, ZD More, KL Chen, VW Lachgar, A AF Adhikari, Shiba P. Hood, Zachary D. More, Karren L. Chen, Vincent W. Lachgar, Abdou TI A Visible-Light-Active Heterojunction with Enhanced Photocatalytic Hydrogen Generation SO CHEMSUSCHEM LA English DT Article DE composite; heterojunction; hydrogen production; photocatalyst; water splitting ID GRAPHITIC CARBON NITRIDE; IN-SITU SYNTHESIS; COMPOSITE PHOTOCATALYSTS; FACILE SYNTHESIS; ENERGY-CONVERSION; H-2 EVOLUTION; METHYL-ORANGE; DOPED G-C3N4; WATER; DEGRADATION AB A visible-light-active carbon nitride (CN)/strontium pyroniobate (SNO) heterojunction photocatalyst was fabricated by deposition of CN over hydrothermally synthesized SNO nanoplates by a simple thermal decomposition process. The microscopic study revealed that nanosheets of CN were anchored to the surface of SNO resulting in an intimate contact between the two semiconductors. Diffuse reflectance UV/Vis spectra show that the resulting CN/SNO heterojunction possesses intense absorption in the visible region. The structural and spectral properties endowed the CN/SNO heterojunction with remarkably enhanced photocatalytic activity. Specifically, the photocatalytic hydrogen evolution rate per mole of CN was found to be 11 times higher for the CN/SNO composite compared to pristine CN. The results clearly show that the composite photo-catalyst not only extends the light absorption range of SNO but also restricts photogenerated charge-carrier recombination, resulting in significant enhancement in photocatalytic activity compared to pristine CN. The relative band positions of the composite allow the photogenerated electrons in the conduction band of CN to migrate to that of SNO. This kind of charge migration and separation leads to the reduction in the overall recombination rate of photogenerated charge carriers, which is regarded as one of the key factors for the enhanced activity. A plausible mechanism for the enhanced photocatalytic activity of the heterostructured composite is proposed based on observed activity, photoluminescence, time-resolved fluorescence emission decay, electrochemical impedance spectroscopy, and band position calculations. C1 [Adhikari, Shiba P.; Lachgar, Abdou] Wake Forest Univ, Dept Chem, Winston Salem, NC 27109 USA. [Adhikari, Shiba P.; Lachgar, Abdou] Wake Forest Univ, Ctr Energy Environm & Sustainabil, Winston Salem, NC 27109 USA. [Hood, Zachary D.; More, Karren L.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Hood, Zachary D.; Chen, Vincent W.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. RP Lachgar, A (reprint author), Wake Forest Univ, Dept Chem, Winston Salem, NC 27109 USA.; Lachgar, A (reprint author), Wake Forest Univ, Ctr Energy Environm & Sustainabil, Winston Salem, NC 27109 USA. EM Lachgar@wfu.edu FU Wake Forest University Center for Energy, Environment, and Sustainability; NSF [MRI 1040264]; WFU; National Science Foundation [DGE-1148903]; Georgia Tech-ORNL Fellowship FX The work was supported by the Wake Forest University Center for Energy, Environment, and Sustainability and by NSF MRI 1040264. Support from the WFU Science Research Fund is also acknowledged. A portion of this research was completed at the Center for Nanophase Materials Sciences, which is a DOE Office of Science User facility. The authors would like to thank Dr. Scott Geyer, Wake Forest University, Department of Chemistry, for his support in collecting UV-Vis DRS data. Additionally, the authors would like to thank Zhitao Kang and Christian Struebing, Georgia Institute of Technology, School of Materials Science and Engineering, for their support in collecting PL data. The authors gratefully acknowledge John Reynolds and Anna Osterholm for providing access to their potentiostat for EIS measurements. ZDH gratefully acknowledges a Graduate Research Fellowship award from the National Science Foundation (No. DGE-1148903) and the Georgia Tech-ORNL Fellowship. Helpful discussions with Dr. Willie Hinze, Wake Forest University, are also highly acknowledged. NR 93 TC 0 Z9 0 U1 30 U2 32 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1864-5631 EI 1864-564X J9 CHEMSUSCHEM JI ChemSusChem PD JUL 21 PY 2016 VL 9 IS 14 BP 1869 EP 1879 DI 10.1002/cssc.201600424 PG 11 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DV0CB UT WOS:000382584300015 PM 27282318 ER PT J AU Wu, QY Cen, JJ Goodman, KR White, MG Ramakrishnan, G Orlov, A AF Wu, Qiyuan Cen, Jiajie Goodman, Kenneth R. White, Michael G. Ramakrishnan, Girish Orlov, Alexander TI Understanding the Interactions of CO2 with Doped and Undoped SrTiO3 SO CHEMSUSCHEM LA English DT Article DE catalysis; doping; rhodium; SrTiO3; surface modification ID 1ST-ORDER RAMAN-SCATTERING; VISIBLE-LIGHT IRRADIATION; ATOMIC-FORCE MICROSCOPY; STRONTIUM-TITANATE; ROOM-TEMPERATURE; THIN-FILMS; PHOTOCATALYTIC DECOMPOSITION; CODOPED SRTIO3; OXYGEN VACANCY; CARBON-DIOXIDE AB SrTiO3 and doped SrTiO3 have a wide range of applications in different fields. For example, Rh-doped SrTiO3 has been shown to have photocatalytic activity for both hydrogen production and CO2 conversion. In this study, both undoped and Rh-doped SrTiO3 were synthesized by hydrothermal and polymerizable complex methods. Different characterizations techniques including X-ray photoelectron spectroscopy (XPS), XRD, Raman, and UV/Vis spectroscopy were utilized to establish cor-relations between the preparation methods and the electronic/structural properties of Rh-doped SrTiO3. The presence of dopants and oxygen vacancies substantially influenced the CO2 interactions with the surface, as revealed by the in situ infrared spectroscopic study. The presence of distinctly different adsorption sites was correlated to oxygen vacancies and oxidation states of Ti and Rh. C1 [Wu, Qiyuan; Cen, Jiajie; Ramakrishnan, Girish; Orlov, Alexander] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Goodman, Kenneth R.; White, Michael G.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [White, Michael G.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Orlov, A (reprint author), SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. EM alexander.orlov@stonybrook.edu FU NSF DMR [1206562]; U.S Department of Energy, Office of Science [DE-SC0012704]; U.S Department of Energy, Office of Science, Division of Chemical Sciences, Geosciences, and Biosciences FX This Research has been supported by the NSF DMR Award 1206562. Work by K. R. Goodman and M. G. White was performed at Brookhaven National Laboratory under Contract No. DE-SC0012704 with the U.S Department of Energy, Office of Science, and supported by its Division of Chemical Sciences, Geosciences, and Biosciences. NR 66 TC 0 Z9 0 U1 18 U2 26 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1864-5631 EI 1864-564X J9 CHEMSUSCHEM JI ChemSusChem PD JUL 21 PY 2016 VL 9 IS 14 BP 1889 EP 1897 DI 10.1002/cssc.201600498 PG 9 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA DV0CB UT WOS:000382584300017 PM 27313095 ER PT J AU Allerman, AA Armstrong, AM Fischer, AJ Dickerson, JR Crawford, MH King, MP Moseley, MW Wierer, JJ Kaplar, RJ AF Allerman, A. A. Armstrong, A. M. Fischer, A. J. Dickerson, J. R. Crawford, M. H. King, M. P. Moseley, M. W. Wierer, J. J. Kaplar, R. J. TI Al0.3Ga0.7N PN diode with breakdown voltage > 1600 V SO ELECTRONICS LETTERS LA English DT Article AB Demonstration of Al0.3Ga0.7N PN diodes grown with breakdown voltages in excess of 1600 V is reported. The total epilayer thickness is 9.1 mu m and was grown by metal-organic vapour-phase epitaxy on 1.3-mm-thick sapphire in order to achieve crack-free structures. A junction termination edge structure was employed to control the lateral electric fields. A current density of 3.5 kA/cm(2) was achieved under DC forward bias and a reverse leakage current <3 nA was measured for voltages <1200 V. The differential on-resistance of 16 m Omega cm(2) is limited by the lateral conductivity of the n-type contact layer required by the front-surface contact geometry of the device. An effective critical electric field of 5.9 MV/cm was determined from the epilayer properties and the reverse current-voltage characteristics. To our knowledge, this is the first aluminium gallium nitride (AlGaN)-based PN diode exhibiting a breakdown voltage in excess of 1 kV. It is noted that a Baliga figure of merit (V-br(2)/R-spec,R- on) of 150 MW/cm(2) found is the highest reported for an AlGaN PN diode and illustrates the potential of larger-bandgap AlGaN alloys for high-voltage devices. C1 [Allerman, A. A.; Armstrong, A. M.; Fischer, A. J.; Dickerson, J. R.; Crawford, M. H.; King, M. P.; Moseley, M. W.; Kaplar, R. J.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Wierer, J. J.] Lehigh Univ, Bethlehem, PA 18015 USA. RP Allerman, AA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM aaaller@sandia.gov RI Wierer, Jonathan/G-1594-2013 OI Wierer, Jonathan/0000-0001-6971-4835 FU Laboratory Directed Research and Development (LDRD) programme at Sandia; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the Laboratory Directed Research and Development (LDRD) programme at Sandia. Sandia National Laboratories is a multi-programme 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 10 TC 2 Z9 2 U1 12 U2 12 PU INST ENGINEERING TECHNOLOGY-IET PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 0013-5194 EI 1350-911X J9 ELECTRON LETT JI Electron. Lett. PD JUL 21 PY 2016 VL 52 IS 15 BP 1319 EP 1320 DI 10.1049/el.2016.1280 PG 2 WC Engineering, Electrical & Electronic SC Engineering GA DS7ZH UT WOS:000381001600024 ER PT J AU Baboly, MG Alaie, S Reinke, CM El-Kady, I Leseman, ZC AF Baboly, M. Ghasemi Alaie, S. Reinke, C. M. El-Kady, I. Leseman, Z. C. TI Ultra-high frequency, high Q/volume micromechanical resonators in a planar AlN phononic crystal SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID WAVE-GUIDES; OPTOMECHANICAL CAVITY; ACOUSTIC-WAVES; BAND-GAPS; DESIGN AB This paper presents the first design and experimental demonstration of an ultrahigh frequency complete phononic crystal (PnC) bandgap aluminum nitride (AlN)/air structure operating in the GHz range. A complete phononic bandgap of this design is used to efficiently and simultaneously confine elastic vibrations in a resonator. The PnC structure is fabricated by etching a square array of air holes in an AlN slab. The fabricated PnC resonator resonates at 1.117 GHz, which corresponds to an out-of-plane mode. The measured bandgap and resonance frequencies are in very good agreement with the eigen-frequency and frequency-domain finite element analyses. As a result, a quality factor/volume of 7.6 x 10(17)/m(3) for the confined resonance mode was obtained that is the largest value reported for this type of PnC resonator to date. These results are an important step forward in achieving possible applications of PnCs for RF communication and signal processing with smaller dimensions. Published by AIP Publishing. C1 [Baboly, M. Ghasemi; Leseman, Z. C.] Kansas State Univ, Dept Mech & Nucl Engn, Manhattan, KS 66506 USA. [Alaie, S.] Weill Cornell Med, Dalio Inst Cardio Vasc Imaging, New York, NY 10021 USA. [Alaie, S.] NewYork Presbyterian Hosp, New York, NY 10021 USA. [Alaie, S.] Weill Cornell Med, Dept Radiol, New York, NY 10021 USA. [Reinke, C. M.; El-Kady, I.] Sandia Natl Labs, Dept Appl Photon Microsyst, Albuquerque, NM 87175 USA. RP Leseman, ZC (reprint author), Kansas State Univ, Dept Mech & Nucl Engn, Manhattan, KS 66506 USA. EM zleseman@ksu.edu OI alaie, seyedhamidreza/0000-0001-6359-297X FU National Science Foundation Division of CMMI [1056077]; Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX M.G.B., S.A. and Z.C.L. acknowledge support from the National Science Foundation Division of CMMI under Award 1056077. Portions of the work were carried out in UNM's NanoFab Facility. The work was supported by Sandia National Laboratories, a multi-program laboratory managed and operated by Sandia Corporation, and 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 28 TC 2 Z9 2 U1 5 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2016 VL 120 IS 3 AR 034502 DI 10.1063/1.4958671 PG 5 WC Physics, Applied SC Physics GA DT3LL UT WOS:000381382500021 ER PT J AU Olive, DT Wang, DL Booth, CH Bauer, ED Pugmire, AL Freibert, FJ McCall, SK Wall, MA Allen, PG AF Olive, D. T. Wang, D. L. Booth, C. H. Bauer, E. D. Pugmire, A. L. Freibert, F. J. McCall, S. K. Wall, M. A. Allen, P. G. TI Isochronal annealing effects on local structure, crystalline fraction, and undamaged region size of radiation damage in Ga-stabilized delta-Pu SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ABSORPTION FINE-STRUCTURE; MOLECULAR-DYNAMICS; EQUILIBRIUM THERMODYNAMICS; DISPLACEMENT CASCADES; ELECTRON-IRRADIATION; ION-IRRADIATION; PLUTONIUM; ALLOYS; NANOPARTICLES; DEFECTS AB The effects on the local structure due to self-irradiation damage of Ga stabilized delta-Pu stored at cryogenic temperatures have been examined using extended x-ray absorption fine structure (EXAFS) experiments. Extensive damage, seen as a loss of local order, was evident after 72 days of storage below 15 K. The effect was observed from both the Pu and the Ga sites, although less pronounced around Ga. Isochronal annealing was performed on this sample to study the annealing processes that occur between cryogenic and room temperature storage conditions, where damage is mostly reversed. Damage fractions at various points along the annealing curve have been determined using an amplitude-ratio method, a standard EXAFS fitting, and a spherical crystallite model, and provide information complementary to the previous electrical resistivity-and susceptibility-based isochronal annealing studies. The use of a spherical crystallite model accounts for the changes in EXAFS spectra using just two parameters, namely, the crystalline fraction and the particle radius. Together, these results are discussed in terms of changes to the local structure around Ga and Pu throughout the annealing process and highlight the unusual role of Ga in the behavior of the lowest temperature anneals. Published by AIP Publishing. C1 [Olive, D. T.; Booth, C. H.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Olive, D. T.; Pugmire, A. L.; Freibert, F. J.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. [Wang, D. L.] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Wang, D. L.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Bauer, E. D.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [McCall, S. K.; Wall, M. A.; Allen, P. G.] Lawrence Livermore Natl Lab, Div Mat Sci, Livermore, CA 94550 USA. RP Booth, CH (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM chbooth@lbl.gov RI McCall, Scott/G-1733-2014; OI McCall, Scott/0000-0002-7979-4944; Freibert, Franz/0000-0003-4434-3446; Bauer, Eric/0000-0003-0017-1937; Olive, Daniel/0000-0002-6465-4981 FU U.S. Department of Energy (DOE) through the Los Alamos National Laboratory (LANL) LDRD Program; Glenn T. Seaborg Institute for Transactinium Science; Office of Science (OS), Office of Basic Energy Sciences (OBES), Chemical Sciences, Geosciences, and Biosciences Division of the prepared under U.S. DOE [DE-AC02-05CH11231]; National Nuclear Security Administration of the U.S. DOE [DE-AC52-06NA25396]; U.S. DOE, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; DOE [DE-AC52-07NA27344] FX We gratefully acknowledge the support of the U.S. Department of Energy (DOE) through the Los Alamos National Laboratory (LANL) LDRD Program and the Glenn T. Seaborg Institute for Transactinium Science. Work at Lawrence Berkeley National Laboratory was partially supported by the Director, Office of Science (OS), Office of Basic Energy Sciences (OBES), Chemical Sciences, Geosciences, and Biosciences Division of the prepared under U.S. DOE Contract No. DE-AC02-05CH11231. LANL is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. DOE under Contract No. DE-AC52-06NA25396. The use of the Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. The work at Lawrence Livermore National Laboratory was prepared under DOE Contract No. DE-AC52-07NA27344. NR 83 TC 2 Z9 2 U1 10 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2016 VL 120 IS 3 AR 035103 DI 10.1063/1.4958856 PG 12 WC Physics, Applied SC Physics GA DT3LL UT WOS:000381382500029 ER PT J AU Schubert, S Wong, J Feng, J Karkare, S Padmore, H Ruiz-Oses, M Smedley, J Muller, E Ding, ZH Gaowei, MJ Attenkofer, K Liang, X Xie, JQ Kuhn, J AF Schubert, Susanne Wong, Jared Feng, Jun Karkare, Siddharth Padmore, Howard Ruiz-Oses, Miguel Smedley, John Muller, Erik Ding, Zihao Gaowei, Mengjia Attenkofer, Klaus Liang, Xue Xie, Junqi Kuehn, Julius TI Bi-alkali antimonide photocathode growth: An X-ray diffraction study SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB Bi-alkali antimonide photocathodes are one of the best known sources of electrons for high current and/or high bunch charge applications like Energy Recovery Linacs or Free Electron Lasers. Despite their high quantum efficiency in visible light and low intrinsic emittance, the surface roughness of these photocathodes prohibits their use as low emittance cathodes in high accelerating gradient superconducting and normal conducting radio frequency photoguns and limits the minimum possible intrinsic emittance near the threshold. Also, the growth process for these materials is largely based on recipes obtained by trial and error and is very unreliable. In this paper, using X-ray diffraction, we investigate the different structural and chemical changes that take place during the growth process of the bi-alkali antimonide material K2CsSb. Our measurements give us a deeper understanding of the growth process of alkali-antimonide photocathodes allowing us to optimize it with the goal of minimizing the surface roughness to preserve the intrinsic emittance at high electric fields and increasing its reproducibility. Published by AIP Publishing. C1 [Schubert, Susanne; Wong, Jared; Feng, Jun; Karkare, Siddharth; Padmore, Howard] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Schubert, Susanne; Ruiz-Oses, Miguel; Smedley, John; Muller, Erik; Ding, Zihao; Gaowei, Mengjia; Attenkofer, Klaus; Liang, Xue] Brookhaven Natl Lab, Upton, NY 11973 USA. [Xie, Junqi] Argonne Natl Lab, 9700 South Cass Ave B109, Lemont, IL 60439 USA. [Kuehn, Julius] Helmholtz Zentrum Berlin, Albert Einstein Str 15, D-12489 Berlin, Germany. [Ruiz-Oses, Miguel] Commiss European Communities, Joint Res Ctr, Inst Reference Mat & Measurements, Retieseweg 111, B-2440 Geel, Belgium. RP Karkare, S (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM skarkare@lbl.gov RI Kuhn, Julius/D-4530-2012 FU German Bundesministerium fuer Bildung und Forschung, Land Berlin; Helmholtz Association; National Science Foundation; National Institutes of Health/National Institute of General Medical Sciences under NSF [DMR-0936384, DMR-1332208]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886]; [KC0407-ALSJNT-I0013] FX The authors like to thank John Walsh, BNL, for his outstanding technical support, as well as Arthur Woll, Cornell University, for the excellent beamtime support. This work was funded by KC0407-ALSJNT-I0013. The work was supported by the German Bundesministerium fuer Bildung und Forschung, Land Berlin and grants of Helmholtz Association. Experiments are conducted at the NSLS and CHESS. The Cornell High Energy Synchrotron Source (CHESS) is supported by the National Science Foundation and the National Institutes of Health/National Institute of General Medical Sciences under NSF Award Nos. DMR-0936384 and DMR-1332208. The 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. NR 19 TC 2 Z9 2 U1 9 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD JUL 21 PY 2016 VL 120 IS 3 AR 035303 DI 10.1063/1.4959218 PG 5 WC Physics, Applied SC Physics GA DT3LL UT WOS:000381382500036 ER PT J AU Shkrob, IA Abraham, DP AF Shkrob, Ilya A. Abraham, Daniel P. TI Electrocatalysis Paradigm for Protection of Cathode Materials in High-Voltage Lithium-Ion Batteries SO Journal of Physical Chemistry C LA English DT Article ID ELECTRON-SPIN-RESONANCE; SULFONE-BASED ELECTROLYTES; IRRADIATED TRIMETHYL PHOSPHITE; DENSITY-FUNCTIONAL THEORY; MANGANESE OXIDE CATHODE; PROPYLENE CARBONATE; TRIS(TRIMETHYLSILYL) PHOSPHITE; ELECTROCHEMICAL-BEHAVIOR; ETHYLENE CARBONATE; OXYGEN EVOLUTION AB A new mechanistic framework is suggested to account for the protective action of certain electrolyte additives on high-voltage positive electrode (cathode) materials. The mechanism involves inactivation of catalytically active centers on the electrode active materials through fragmentation reactions involving molecules at its surface. The cathode protection additives oxidize before the solvent and serve as sacrificial inhibitors of the catalytic centers. Without the additive, the surface oxidation of the solvent (like solvent oxidation in the bulk) yields H loss radicals and releases the proton that can combine with anions forming corrosive acids. This proton-release reaction is demonstrated experimentally for boronate additives. Specific radical reactions for the latter additives on the electrode surface are suggested. The same approach can be used to rationalize the protective action of other additives and account for various observations regarding their performance. C1 [Shkrob, Ilya A.; Abraham, Daniel P.] Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. RP Shkrob, IA (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM shkrob@anl.gov FU US-DOE Office of Science, Division of Chemical Sciences, Geosciences and Biosciences [DE-AC02-06CH11357]; US-DOE Office of Vehicle Technologies FX This work was supported by the US-DOE Office of Science, Division of Chemical Sciences, Geosciences and Biosciences under Contract No. DE-AC02-06CH11357 to Argonne. D.P.A. is grateful for support from the US-DOE Office of Vehicle Technologies. The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 108 TC 1 Z9 1 U1 9 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 21 PY 2016 VL 120 IS 28 BP 15119 EP 15128 DI 10.1021/acs.jpcc.6b05756 PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS2HV UT WOS:000380590600014 ER PT J AU Larsen, GK Farr, W Murph, SEH AF Larsen, George K. Farr, Will Murph, Simona E. Hunyadi TI Multifunctional Fe2O3-Au Nanoparticles with Different Shapes: Enhanced Catalysis, Photothermal Effects, and Magnetic Recyclability SO Journal of Physical Chemistry C LA English DT Article ID GAS SHIFT REACTION; GOLD NANOPARTICLES; IRON-OXIDE; METAL NANOPARTICLES; 4-NITROPHENOL REDUCTION; NANOCOMPOSITE MATERIALS; NITROPHENOL REDUCTION; OPTICAL APPLICATIONS; GRAPHENE OXIDE; AU AB We investigate Au-decorated Fe2O3 nanoparticle catalysts, Fe2O3-Au, where the supporting Fe2O3 nanoparticles are of different shapes: spheres, rings, and tubes. The decoration procedure for the Fe2O3-Au nanoparticles is identical for each shape, and is analogous to the synthesis of pure Au nanoparticles (AuNPs). These similarities allows for direct comparison between the different shapes and the pure AuNPs. The morphological, optical, and magnetic characterizations reveal that the Fe2O3-Au nanoparticles are hybrid structures exhibiting both plasmonic and magnetic properties. The different shape Fe2O3-Au nanoparticles and the AuNPs are evaluated for their ability to catalytically reduce 4-nitrophenol. Remarkably, it is found that Fe2O3-Au nanoparticles are more efficient catalysts than AuNPs because they can achieve the same, or better, catalytic reaction rates using significantly smaller quantities of Au, which is the catalytically active material. Taking into account the Au-loadings, the Fe2O3 rings and tubes are superior to the Fe2O3 spheres as catalytic supports due to their gamma-Fe2O3 crystal phase. It is also shown that the Fe2O3-Au nanoparticles have the additional benefit for catalysis in that they can be recovered and reused via magnetic collection. Furthermore, the Fe2O3-Au nanoparticles and AuNPs are found to efficiently transduce heat from light through plasmonic absorbance, and this phenomenon is exploited to demonstrate the photothermal catalytic reduction of 4-nitrophenol. C1 [Larsen, George K.; Farr, Will; Murph, Simona E. Hunyadi] Savannah River Natl Lab, Natl Secur Directorate, Aiken, SC 29808 USA. [Murph, Simona E. Hunyadi] Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. RP Murph, SEH (reprint author), Savannah River Natl Lab, Natl Secur Directorate, Aiken, SC 29808 USA.; Murph, SEH (reprint author), Univ Georgia, Dept Phys & Astron, Athens, GA 30602 USA. EM Simona.Murph@srnl.doe.gov FU Department of Energy DOE-Laboratory Directed Research & Development (LDRD) Strategic Initiative Program FX The financial support of this work was provided by Department of Energy DOE-Laboratory Directed Research & Development (LDRD) Strategic Initiative Program. We thank Dr. Robert Lascola, Mr. Henry Sessions, and Mr. Charles Shick for providing their time and expertise to assist us with our experiments. We also thank Mr. Weijie Huang for his assistance with the magnetic measurements. NR 49 TC 3 Z9 3 U1 30 U2 58 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 21 PY 2016 VL 120 IS 28 BP 15162 EP 15172 DI 10.1021/acs.jpcc.6b03733 PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS2HV UT WOS:000380590600019 ER PT J AU Lee, SS Heberling, F Sturchio, NC Eng, PJ Fenter, P AF Lee, Sang Soo Heberling, Frank Sturchio, Neil C. Eng, Peter J. Fenter, Paul TI Surface Charge of the Calcite (104) Terrace Measured by Rb+ Adsorption in Aqueous Solutions Using Resonant Anomalous X-ray Reflectivity SO Journal of Physical Chemistry C LA English DT Article ID MUSCOVITE (001)-SOLUTION INTERFACE; WATER-INTERFACE; (104)-WATER INTERFACE; MOLECULAR-DYNAMICS; SINGLE IONS; CARBONATE; SORPTION; MODEL; PH; PRECIPITATION AB Adsorption of Rb+ on the (104) plane of single crystal calcite was investigated to estimate the charge of the ionic crystal calcite-water interface. The adsorbed Rb+ coverage was quantified as a function of Rb concentration (1-100 mM) in calcite-saturated solutions at pH 8.3 by using in situ resonant anomalous X-ray reflectivity in transmission cell geometry. The Rb+ coverages for all solution conditions were small with the maximum ion coverage (Gamma(max)) of 0.12(4) Rb+/nm(2) estimated by the best-fit Langmuir isotherm model. This result provides an estimate of the upper limit to the effective surface charge density of about -0.02 C/m(2) considering that any Rb+ adsorption to the terrace plane is likely induced by electrostatic attraction. This charge density is significantly lower (by a factor of >= 10) than those estimated from macroscopic measurements, implying that any excess charge likely originates from surface defects. C1 [Lee, Sang Soo; Fenter, Paul] Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. [Heberling, Frank] Karlsruher Inst Technol, Inst Nukl Entsorgung, POB 3640, D-76021 Karlsruhe, Germany. [Sturchio, Neil C.] Univ Delaware, Dept Geol Sci, Newark, DE 19716 USA. [Eng, Peter J.] Univ Chicago, Ctr Adv Radiat Sources, Chicago, IL 60637 USA. [Eng, Peter J.] Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. RP Lee, SS (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 South Cass Ave, Argonne, IL 60439 USA. EM sslee@anl.gov FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division [DE-AC02-06CH11357]; German Ministry for Education and Research (BMBF) through the ImmoRad Project [02NUK019A]; NSF-Earth Sciences [EAR-1128799]; DOE-BES-Geosciences [DE-FG02-94ER14466]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, under Contract DE-AC02-06CH11357 to UChicago Argonne, LLC, as operator of Argonne National Laboratory (for S.S.L., N.C.S., and P.F.) and by the German Ministry for Education and Research (BMBF) through the ImmoRad Project (02NUK019A for F.H.). The reflectivity data were collected at beamlines 13-ID-C (GeoSoilEnviroCARS) and 33-ID-D, Advanced Photon Source. GeoSoiLEnviroCARS is supported by NSF-Earth Sciences (EAR-1128799) and DOE-BES-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 DE-AC02-06CH11357 to UChicago Argonne, LLC, as operator of Argonne National Laboratory. NR 46 TC 1 Z9 1 U1 10 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 21 PY 2016 VL 120 IS 28 BP 15216 EP 15223 DI 10.1021/acs.jpcc.6b04364 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS2HV UT WOS:000380590600024 ER PT J AU Sun, H Wu, D Liu, KF Guo, XF Navrotsky, A AF Sun, Hui Wu, Di Liu, Kefeng Guo, Xiaofeng Navrotsky, Alexandra TI Energetics of Alkali and Alkaline Earth Ion-Exchanged Zeolite A SO Journal of Physical Chemistry C LA English DT Article ID HIGH-TEMPERATURE CALORIMETRY; SYNTHETIC ZEOLITE; METAL-CATIONS; CRYSTALLINE ZEOLITES; SITE SELECTIVITIES; MOLECULAR-SIEVE; THERMOCHEMISTRY; DEHYDRATION; SEPARATION; ENTHALPY AB Alkali and alkaline earth ion-exchanged zeolite A samples were synthesized in aqueous exchange media. They were thoroughly studied by powder X-ray diffraction (XRD), electron microprobe (EMPA), thermogravimetric analysis and differential scanning calorimetry (TG-DSC), and high temperature oxide melt solution calorimetry. The hydration energetics and enthalpies of formation of these zeolite A materials from constituent oxides were determined. Specifically, the hydration level of zeolite A has a linear dependence on the average ionic potential (Z/r) of the cation, from 0.894 (Rb-A) to 1.317 per TO2 (Mg-A). The formation enthalpies from oxides (25 degrees C) range from -93.71 +/- 1.77 (K-A) to -48.02 +/- 1.85 kJ/mol per TO2 (Li-A) for hydrated alkali ion-exchanged zeolite A, and from -47.99 +/- 1.20 (Ba-A) to -26.41 +/- 1.71 kJ/mol per TO2 (Mg-A) for hydrated alkaline earth ion-exchanged zeolite A. The formation enthalpy from oxides generally becomes less exothermic as Z/r increases, but a distinct difference in slope is observed between the alkali and the alkaline earth series. C1 [Sun, Hui; Liu, Kefeng] East China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China. [Sun, Hui; Wu, Di; Guo, Xiaofeng; Navrotsky, Alexandra] Univ Calif Davis, Peter A Rock Thermochem Lab, One Shields Ave, Davis, CA 95616 USA. [Sun, Hui; Wu, Di; Guo, Xiaofeng; Navrotsky, Alexandra] Univ Calif Davis, NEAT ORU, One Shields Ave, Davis, CA 95616 USA. [Wu, Di] Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA. [Guo, Xiaofeng] Los Alamos Natl Lab, Div Earth & Environm Sci, Earth Syst Observat, Los Alamos, NM 87545 USA. RP Wu, D; Navrotsky, A (reprint author), Univ Calif Davis, Peter A Rock Thermochem Lab, One Shields Ave, Davis, CA 95616 USA.; Wu, D; Navrotsky, A (reprint author), Univ Calif Davis, NEAT ORU, One Shields Ave, Davis, CA 95616 USA.; Wu, D (reprint author), Washington State Univ, Gene & Linda Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA. EM d.wu@wsu.edu; anavrotsky@ucdavis.edu RI Wu, Di/A-3039-2014 OI Wu, Di/0000-0001-6879-321X FU U.S. Department of Energy, Office of Basic Energy Sciences [DE-FG02-05ER15667]; Natural Science Foundation of Shanghai [16ZR1408100]; China Scholarship Council [201308310077]; Gene and Linda Voiland School of Chemical Engineering and Bioengineering at Washington State University FX This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Grant DE-FG02-05ER15667. H.S. thanks the Natural Science Foundation of Shanghai for the financial support (No. 16ZR1408100), and the China Scholarship Council for the State Scholarship Fund (No. 201308310077). D.W. acknowledges the institutional funds from the Gene and Linda Voiland School of Chemical Engineering and Bioengineering at Washington State University. NR 44 TC 0 Z9 0 U1 11 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 21 PY 2016 VL 120 IS 28 BP 15251 EP 15256 DI 10.1021/acs.jpcc.6b04840 PG 6 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS2HV UT WOS:000380590600029 ER PT J AU Carenco, S Sassoye, C Faustini, M Eloy, P Debecker, DP Bluhm, H Salmeron, M AF Carenco, Sophie Sassoye, Capucine Faustini, Marco Eloy, Pierre Debecker, Damien P. Bluhm, Hendrik Salmeron, Miquel TI The Active State of Supported Ruthenium Oxide Nanoparticles during Carbon Dioxide Methanation SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RAY PHOTOELECTRON-SPECTROSCOPY; CHEMICAL SOLUTION DEPOSITION; AMBIENT-PRESSURE XPS; CO OXIDATION; AMMONIA-SYNTHESIS; RU NANOPARTICLES; THIN-FILMS; CATALYSTS; SURFACE; HYDROGENATION AB Ruthenium catalysts supported on TiO2 have been shown to have competitive activity and selectivity for the methanation of CO2 In particular, a catalyst using preformed RuO2 nanoparticles deposited on a TiO2 support showed competitive performances in a previous study. In this work, ambient-pressure X-ray photoelectron spectroscopy was employed to determine the chemical state of this catalyst under reaction conditions. The active state of ruthenium was found to be the metallic one. Surface adsorbates were monitored in the steady state, and CH species were found to be favored over adsorbed carbon monoxide at increasing temperatures. C1 [Carenco, Sophie; Sassoye, Capucine; Faustini, Marco] Univ Paris 06, Sorbonne Univ, CNRS, Coll France,Lab Chim Mat Condensee Paris, 4 Pl Jussieu, F-75252 Paris, France. [Carenco, Sophie; Bluhm, Hendrik] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Salmeron, Miquel] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Eloy, Pierre; Debecker, Damien P.] Catholic Univ Louvain, Inst Condensed Matter & Nanosci Mol Solids & Reac, Croix Sud 2,Box L7-05-17, B-1348 Louvain La Neuve, Belgium. RP Carenco, S (reprint author), Univ Paris 06, Sorbonne Univ, CNRS, Coll France,Lab Chim Mat Condensee Paris, 4 Pl Jussieu, F-75252 Paris, France.; Carenco, S (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM sophie.carenco@upmc.fr RI FAUSTINI, MARCO/E-8651-2012 OI FAUSTINI, MARCO/0000-0002-6254-5116 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division [DE-ACO2-05CH11231]; Fonds National de la Recherche Scientifique FX This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, under Contract DE-ACO2-05CH11231. Funding from the same contract for the ALS and beamline 11.0.2 is also acknowledged. D.P.D. thanks the Fonds National de la Recherche Scientifique for the mobility grant that made this collaboration possible. UPMC, CNRS, and College de France are also acknowledged. NR 52 TC 1 Z9 1 U1 21 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD JUL 21 PY 2016 VL 120 IS 28 BP 15354 EP 15361 DI 10.1021/acs.jpcc.6b06313 PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA DS2HV UT WOS:000380590600042 ER PT J AU Vo, QN Dang, LX Nilsson, M Nguyen, HD AF Vo, Quynh N. Dang, Liem X. Nilsson, Mikael Nguyen, Hung D. TI Quantifying Dimer and Trimer Formation by Tri-n-butyl Phosphates in n-Dodecane: Molecular Dynamics Simulations SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID SELF-ASSOCIATION CONSTANTS; TRIBUTYL-PHOSPHATE; GRAPHICAL METHODS; TRIALKYL PHOSPHATES; FORCE-FIELD; NITRIC-ACID; WATER; TBP; CHLOROFORM; EXTRACTION AB Tri-n-butyl phosphate (TBP), a,representative of neutral organophosphorous ligands, is an important extractant used in the solvent extraction process for the recovery of uranium and plutonium from spent nuclear fuel. Microscopic pictures of TBP isomerism and its behavior in n-dodecane diluent were investigated utilizing MD simulations with previously optimized force field parameters for TBP and n-dodecane. Potential mean force (PMF) calculations on a single TBP molecule show seven probable TBP isomers. Radial distribution functions (RDFs) of TBP suggest the existence of TBP trimers at high TBP concentrations in addition to dimers. 2D PMF calculations were performed to determine the angle and distance criteria for TBP trimers. The dimerization and trimerization constants of TBP in n-dodecane were obtained and match our own experimental values using the FTIR technique. The new insights into the conformational behaviors of the TBP molecule as a monomer and as part of an aggregate could greatly aid in the understanding of the complexation between TBP and metal ions in a solvent extraction system. C1 [Vo, Quynh N.; Nilsson, Mikael; Nguyen, Hung D.] Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA. [Dang, Liem X.] Pacific Northwest Natl Lab, Div Phys Sci, Richland, WA 93352 USA. RP Nilsson, M; Nguyen, HD (reprint author), Univ Calif Irvine, Dept Chem Engn & Mat Sci, Irvine, CA 92697 USA. EM nilssonm@uci.edu; hdn@uci.edu FU U.S. Department of Energy [120569]; National Science Foundation [DGE-1321846]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences FX The authors wish to thank the U.S. Department of Energy for funding the work through the Nuclear Energy University Program, NEUP Contract No. 120569. QN.V. acknowledges support from a Graduate Research Fellowship from the National Science Foundation (DGE-1321846). The U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, funded the work performed by L.X.D. NR 35 TC 0 Z9 0 U1 7 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD JUL 21 PY 2016 VL 120 IS 28 BP 6985 EP 6994 DI 10.1021/acs.jpcb.6b02924 PG 10 WC Chemistry, Physical SC Chemistry GA DS2HX UT WOS:000380590900009 PM 27398866 ER PT J AU Schultz, PH Crawford, DA AF Schultz, Peter H. Crawford, David A. TI Origin and implications of non-radial Imbrium Sculpture on the Moon SO NATURE LA English DT Article ID HEAVY BOMBARDMENT; OBLIQUE IMPACTS; ASTEROID BELT; LUNAR; PROJECTILE; ANOMALIES; EVOLUTION; CRATERS AB Rimmed grooves, lineations and elongate craters around Mare Imbrium shape much of the nearside Moon. This pattern was coined the Imbrium Sculpture(1), and it was originally argued that it must have been formed by a giant oblique (similar to 30 degrees) impact, a conclusion echoed by later studies(2). Some investigators, however, noticed that many elements of the Imbrium Sculpture are not radial to Imbrium, thereby implicating an endogenic or structural origin(3,4). Here we use these non-radial trends to conclude that the Imbrium impactor was a proto-planet (half the diameter of Vesta), once part of a population of large proto-planets in the asteroid belt. Such independent constraints on the sizes of the Imbrium and other basin-forming impactors markedly increase estimates for the mass in the asteroid belt before depletion caused by the orbital migration of Jupiter and Saturn(5). Moreover, laboratory impact experiments, shock physics codes and the groove widths indicate that multiple fragments (up to 2% of the initial diameter) from each oblique basin-forming impactor, such as the one that formed Imbrium, should have survived planetary collisions and contributed to the heavy impact bombardment between 4.3 and 3.8 billion years ago. C1 [Schultz, Peter H.] Brown Univ, Dept Earth Environm & Planetary Sci, 324 Brook St, Providence, RI 02912 USA. [Crawford, David A.] Sandia Natl Labs, POB 5800,MS 0840, Albuquerque, NM 87185 USA. RP Schultz, PH (reprint author), Brown Univ, Dept Earth Environm & Planetary Sci, 324 Brook St, Providence, RI 02912 USA. EM peter_schultz@brown.edu FU NASA [NNX13AB75G]; United States Department of Energy [DE-AC04-94AL85000] FX NASA Grant NNX13AB75G provided support for the study. We acknowledge the technical support of the NASA Ames Vertical Gun Range at NASA Ames Research Center for the hypervelocity impact experiments and the image resources of the Northeast Planetary Data Center. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 33 TC 1 Z9 1 U1 4 U2 4 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 21 PY 2016 VL 535 IS 7612 BP 391 EP + DI 10.1038/nature18278 PG 16 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS1GQ UT WOS:000380344200034 PM 27443741 ER PT J AU Brito, IL Yilmaz, S Huang, K Xu, L Jupiter, SD Jenkins, AP Naisilisili, W Tamminen, M Smillie, CS Wortman, JR Birren, BW Xavier, RJ Blainey, PC Singh, AK Gevers, D Alm, EJ AF Brito, I. L. Yilmaz, S. Huang, K. Xu, L. Jupiter, S. D. Jenkins, A. P. Naisilisili, W. Tamminen, M. Smillie, C. S. Wortman, J. R. Birren, B. W. Xavier, R. J. Blainey, P. C. Singh, A. K. Gevers, D. Alm, E. J. TI Mobile genes in the human microbiome are structured from global to individual scales SO NATURE LA English DT Article ID LEVEL MUPIROCIN RESISTANCE; TRANSFER-RNA-SYNTHETASES; HUMAN GUT MICROBIOME; STAPHYLOCOCCUS-AUREUS; SEQUENCES; BACTERIA; PLASMID; METAGENOMES; ANNOTATION; COMMUNITY AB Recent work has underscored the importance of the microbiome in human health, and has largely attributed differences in phenotype to differences in the species present among individuals(1-5). However, mobile genes can confer profoundly different phenotypes on different strains of the same species. Little is known about the function and distribution of mobile genes in the human microbiome, and in particular whether the gene pool is globally homogenous or constrained by human population structure. Here, we investigate this question by comparing the mobile genes found in the microbiomes of 81 metropolitan North Americans with those of 172 agrarian Fiji islanders using a combination of single-cell genomics and metagenomics. We find large differences in mobile gene content between the Fijian and North American microbiomes, with functional variation that mirrors known dietary differences such as the excess of plant-based starch degradation genes found in Fijian individuals. Notably, we also observed differences between the mobile gene pools of neighbouring Fijian villages, even though microbiome composition across villages is similar. Finally, we observe high rates of recombination leading to individual-specific mobile elements, suggesting that the abundance of some genes may reflect environmental selection rather than dispersal limitation. Together, these data support the hypothesis that human activities and behaviours provide selective pressures that shape mobile gene pools, and that acquisition of mobile genes is important for colonizing specific human populations. C1 [Brito, I. L.; Smillie, C. S.; Alm, E. J.] MIT, Dept Biol Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Brito, I. L.; Huang, K.; Xu, L.; Wortman, J. R.; Birren, B. W.; Xavier, R. J.; Blainey, P. C.; Gevers, D.; Alm, E. J.] Broad Inst MIT & Harvard, Cambridge, MA 02139 USA. [Yilmaz, S.; Singh, A. K.] Sandia Natl Labs, Livermore, CA 94608 USA. [Jupiter, S. D.; Naisilisili, W.] Wildlife Conservat Soc, Suva, Fiji. [Jenkins, A. P.] Edith Cowan Univ, Joondalup, WA 6027, Australia. [Tamminen, M.] Eawag, Dept Aquat Ecol, CH-8600 Dubendorf, Switzerland. [Tamminen, M.] ETH, Dept Environm Syst Sci, CH-8092 Zurich, Switzerland. [Xavier, R. J.] Massachusetts Gen Hosp, Boston, MA 02114 USA. [Xavier, R. J.; Alm, E. J.] MIT, Ctr Microbiome Informat & Therapeut, 77 Massachusetts Ave, Cambridge, MA 02139 USA. RP Alm, EJ (reprint author), MIT, Dept Biol Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.; Alm, EJ (reprint author), Broad Inst MIT & Harvard, Cambridge, MA 02139 USA.; Alm, EJ (reprint author), MIT, Ctr Microbiome Informat & Therapeut, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM ejalm@mit.edu OI Blainey, Paul/0000-0002-4889-8783 FU National Human Genome Research Institute [U54HG003067]; Center for Environmental Health Sciences at MIT; Center for Microbiome Informatics and Therapeutics at MIT; Fijian Ministry of Health; Columbia University Earth Institute Fellowship; Broad Institute Lawrence Summers Fellowship; Burroughs Wellcome Fund Career Award at the Scientific Interface; NIDCR [R01 DE020891]; ENIGMA; US Department of Energy, Office of Science, Office of Biological and Environmental Research; United States Department of Energy [DE-AC04-94AL85000] FX We thank our field collaborators in the Fiji Islands: the Wildlife Conservation Society, Fiji, Wetlands International-Oceania, K. Jenkins, S. Korovou, N. Litidamu, and K. Kishore. We thank T. Poon for sample, sequencing, and data coordination, and A. Materna (QIAGEN) for technical assistance. This work was supported by grants from the National Human Genome Research Institute (U54HG003067) to the Broad Institute, the Center for Environmental Health Sciences at MIT, the Center for Microbiome Informatics and Therapeutics at MIT, and the Fijian Ministry of Health. Additional support was provided by a Columbia University Earth Institute Fellowship (I.L.B.); a Broad Institute Lawrence Summers Fellowship (L.X.); a Burroughs Wellcome Fund Career Award at the Scientific Interface (P.C.B.); and an R01 DE020891 funded by the NIDCR and ENIGMA and a Lawrence Berkeley National Laboratory Scientific Focus Area Program supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research (S.Y. and A.K.S.). Sandia is a multi-program laboratory operated by Sandia Corp., a Lockheed Martin Co., for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 62 TC 5 Z9 5 U1 18 U2 30 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD JUL 21 PY 2016 VL 535 IS 7612 BP 435 EP + DI 10.1038/nature18927 PG 19 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DS1GQ UT WOS:000380344200043 PM 27409808 ER PT J AU Lingam, M Bhattacharjee, A AF Lingam, Manasvi Bhattacharjee, Amitava TI A heuristic model for MRI turbulent stresses in Hall MHD SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE instabilities; magnetic fields; MHD; plasmas; turbulence; methods: analytical ID ANGULAR-MOMENTUM TRANSPORT; CORE-COLLAPSE SUPERNOVAE; ZERO NET FLUX; 3-DIMENSIONAL MAGNETOHYDRODYNAMIC SIMULATIONS; DISSIPATIVE COUETTE-FLOW; SHEARING BOX SIMULATIONS; SOLAR-WIND TURBULENCE; NEUTRON-STAR CRUSTS; MEAN-FIELD APPROACH; MAGNETOROTATIONAL-INSTABILITY AB Although the Shakura-Sunyaev alpha viscosity prescription has been highly successful in characterizing myriad astrophysical environments, it has proven to be partly inadequate in modelling turbulent stresses driven by the magnetorotational instability (MRI). Hence, we adopt the approach employed by Ogilvie, but in the context of Hall magnetohydrodynamics (MHD), to study MRI turbulence. We utilize the exact evolution equations for the stresses, and the non-linear terms are closed through the invocation of dimensional analysis and physical considerations. We demonstrate that the inclusion of the Hall term leads to non-trivial results, including the modification of the Reynolds and Maxwell stresses, as well as the (asymptotic) non-equipartition between the kinetic and magnetic energies; the latter issue is also addressed via the analysis of non-linear waves. The asymptotic ratio of the kinetic to magnetic energies is shown to be independent of the choice of initial conditions, but it is governed by the Hall parameter. We contrast our model with an altered version of the Kazantsev prescription from small-scale dynamo theory, and the Hall term does not generally contribute in the latter approach, illustrating the limitations of this formalism. We indicate potential astrophysical applications of our model, including the solar wind where a lack of equipartition has been observed. C1 [Lingam, Manasvi; Bhattacharjee, Amitava] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08543 USA. [Lingam, Manasvi; Bhattacharjee, Amitava] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Bhattacharjee, Amitava] Princeton Univ, Max Planck Princeton Ctr Plasma Phys, Princeton, NJ 08544 USA. RP Lingam, M (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08543 USA.; Lingam, M (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. EM mlingam@princeton.edu; abhattac@pppl.gov FU DOE [DE-AC02-09CH-11466]; NSF [AGS-1338944] FX ML and AB were supported by the DOE (Grant No. DE-AC02-09CH-11466) and the NSF (Grant No. AGS-1338944) during the course of this work. ML is grateful to Gordon Ogilvie for his encouraging comments regarding a preliminary version of the manuscript. ML is thankful to Santiago Benavides and Pallavi Bhat for their insightful assistance. NR 147 TC 5 Z9 5 U1 0 U2 1 PU OXFORD UNIV PRESS 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 JUL 21 PY 2016 VL 460 IS 1 BP 478 EP 488 DI 10.1093/mnras/stw997 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DR3XE UT WOS:000379835200035 ER PT J AU Chi, SX Uwatoko, Y Cao, HB Hirata, Y Hashizume, K Aoyama, T Ohgushi, K AF Chi, Songxue Uwatoko, Yoshiya Cao, Huibo Hirata, Yasuyuki Hashizume, Kazuki Aoyama, Takuya Ohgushi, Kenya TI Magnetic Precursor of the Pressure-Induced Superconductivity in Fe-Ladder Compounds SO PHYSICAL REVIEW LETTERS LA English DT Article ID IRON PNICTIDES; TEMPERATURE; BAFE2S3; CHALCOGENIDES; BA6FE8S15; PHASES AB The pressure effects on the antiferromagentic orders in iron-based ladder compounds CsFe2Se3 and BaFe2S3 have been studied using neutron diffraction. With identical crystal structure and similar magnetic structures, the two compounds exhibit highly contrasting magnetic behaviors under moderate external pressures. In CsFe2Se3 the ladders are brought much closer to each other by pressure, but the stripe-type magnetic order shows no observable change. In contrast, the stripe order in BaFe2S3 undergoes a quantum phase transition where an abrupt increase of Neel temperature by more than 50% occurs at about 1 GPa, accompanied by a jump in the ordered moment. With its spin structure unchanged, BaFe2S3 enters an enhanced magnetic phase that bears the characteristics of an orbital selective Mott phase, which is the true neighbor of superconductivity emerging at higher pressures. C1 [Chi, Songxue; Cao, Huibo] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Uwatoko, Yoshiya] Univ Tokyo, Inst Solid State Phys, Kashiwa, Chiba 2778581, Japan. [Hirata, Yasuyuki; Ohgushi, Kenya] Univ Tokyo, Inst Solid State Phys, Kashiwanoha 5-1-5, Kashiwa, Chiba 2778581, Japan. [Hashizume, Kazuki; Aoyama, Takuya; Ohgushi, Kenya] Tohoku Univ, Grad Sch Sci, Dept Phys, Aoba Ku, 6-3 Aramaki Aza Aoba, Sendai, Miyagi 9808578, Japan. RP Chi, SX (reprint author), Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. RI Chi, Songxue/A-6713-2013; Ohgushi, Kenya/K-5319-2012 OI Chi, Songxue/0000-0002-3851-9153; FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; JSPS KAKENHI [16H04019]; UT-Battelle, LLC [DE- AC05-00OR22725]; U.S. Department of Energy FX Research at Oak Ridge National Laboratory's HFIR was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. This work was supported by JSPS KAKENHI Grant No. 16H04019. K. O. acknowledges fruitful discussions with Hiroki Takahashi, Touru Yamauchi, and Fei Du. This Letter has been authored by UT-Battelle, LLC under Contract No. DE- AC05-00OR22725 with the U.S. Department of Energy. NR 35 TC 1 Z9 1 U1 24 U2 41 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 21 PY 2016 VL 117 IS 4 AR 047003 DI 10.1103/PhysRevLett.117.047003 PG 5 WC Physics, Multidisciplinary SC Physics GA DR8BM UT WOS:000380123400009 PM 27494496 ER PT J AU Huang, SW Lee, JM Jeng, HT Shao, YC Wray, LA Chen, JM Qiao, R Yang, WL Cao, Y Lin, JY Schoenlein, RW Chuang, YD AF Huang, S. W. Lee, J. M. Jeng, Horng-Tay Shao, YuCheng Wray, L. Andrew Chen, J. M. Qiao, R. Yang, W. L. Cao, Y. Lin, J. -Y Schoenlein, R. W. Chuang, Y. -D. TI Prominent role of oxygen in the multiferroicity of DyMnO3 and TbMnO3: A resonant soft x-ray scattering spectroscopy study SO PHYSICAL REVIEW B LA English DT Article ID AUGMENTED-WAVE METHOD; FERROELECTRICITY; POLARIZATION AB Oxygen is known to play an important role in the multiferroicity of rare earth manganites; however, how this role changes with rare earth elements is still not fully understood. To address this question, we have used resonant soft x-ray scattering spectroscopy to study the F-type (0, tau, 0) diffraction peak from the antiferromagnetic order in DyMnO3 and TbMnO3. We focus on the measurements at O K edge of these two manganites, supplemented by the results at Mn L-2 and Dy M-5 edge of DyMnO3. We show that the electronic states of different elements are coupled more strongly in DyMnO3 than in TbMnO3, presumably due to the stronger lattice distortion and the tendency to develop E-type antiferromagnetism in the ferroelectric state that promote the orbital hybridization. We also show that the anomaly in the correlation length of (0, tau, 0) peak in DyMnO3 signifies the exchange interaction between Mn and rare earth spins. Our findings reveal the prominent role of oxygen orbitals in the multiferroicity of rare earth manganites and the distinct energetics between them. C1 [Huang, S. W.; Qiao, R.; Yang, W. L.; Lin, J. -Y; Chuang, Y. -D.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Huang, S. W.; Schoenlein, R. W.] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Huang, S. W.] Lund Univ, MAX Lab 4, POB 118, S-22100 Lund, Sweden. [Lee, J. M.; Chen, J. M.] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan. [Jeng, Horng-Tay] Natl Tsing Hua Univ, Dept Phys, Hsinchu 30013, Taiwan. [Jeng, Horng-Tay] Acad Sinica, Inst Phys, Taipei 11529, Taiwan. [Shao, YuCheng] Tamkang Univ, Dept Phys, Taipei 25137, Taiwan. [Wray, L. Andrew] NYU, Dept Phys, 4 Washington Pl, New York, NY 10003 USA. [Cao, Y.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Lin, J. -Y] Natl Chiao Tung Univ, Inst Phys, Hsinchu 300, Taiwan. [Schoenlein, R. W.] SLAC Natl Accelerator Lab, Linac Coherent Light Source, Menlo Pk, CA 94035 USA. RP Huang, SW (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA.; Huang, SW (reprint author), Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA.; Huang, SW (reprint author), Lund Univ, MAX Lab 4, POB 118, S-22100 Lund, Sweden. EM shih-wen.huang@maxiv.lu.se; ychuang@lbl.gov RI Yang, Wanli/D-7183-2011; Qiao, Ruimin/E-9023-2013 OI Yang, Wanli/0000-0003-0666-8063; FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (BES) [DE-AC02-05CH11231]; Ultrafast Materials Program at LBNL; MOST of Taiwan, R.O.C. [103-2112-M-009-007-MY3]; MOE ATU program FX This research was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (BES) under Contract No. DE-AC02-05CH11231 (LBNL), and used resources of the Advanced Light Source which is a DOE Office of Science User Facility at LBNL. S.W.H and R.W.S acknowledge support from the Ultrafast Materials Program at LBNL. J.Y.L. is supported by the MOST of Taiwan, R.O.C. under Grant 103-2112-M-009-007-MY3 and the MOE ATU program. NR 62 TC 0 Z9 0 U1 6 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 21 PY 2016 VL 94 IS 3 AR 035145 DI 10.1103/PhysRevB.94.035145 PG 8 WC Physics, Condensed Matter SC Physics GA DR7SR UT WOS:000380100500001 ER PT J AU Frekers, D Alanssari, M Adachi, T Cleveland, BT Dozono, M Ejiri, H Elliott, SR Fujita, H Fujita, Y Fujiwara, M Hatanaka, K Holl, M Ishikawa, D Matsubara, H Okamura, H Puppe, P Suda, K Tamii, A Thies, J Yoshida, HP AF Frekers, D. Alanssari, M. Adachi, T. Cleveland, B. T. Dozono, M. Ejiri, H. Elliott, S. R. Fujita, H. Fujita, Y. Fujiwara, M. Hatanaka, K. Holl, M. Ishikawa, D. Matsubara, H. Okamura, H. Puppe, P. Suda, K. Tamii, A. Thies, J. Yoshida, H. P. TI High energy-resolution measurement of the Se-82(He-3,t)Br-82 reaction for double-beta decay and for solar neutrinos SO PHYSICAL REVIEW C LA English DT Article ID GAMOW-TELLER STRENGTH; SPECTROMETER GRAND RAIDEN; INTERMEDIATE ENERGIES; BEAM LINE; SCATTERING; SE-82; SPECTROSCOPY; NUCLEI; TE-130; GALLEX AB A high-resolution (He-3,t) charge-exchange experiment at an incident energy of 420 MeV has been performed on the double beta (beta beta) decay nucleus Se-82. A detailed Gamow-Teller (GT(-)) strength distribution in Br-82 has been extracted, which provides information to the beta beta-decay nuclear matrix elements. Three strong and isolated transitions, which are to the 75, 1484 and the 2087 keV states in Br-82, are found to dominate the low-excitation region below approximate to 2.1 MeV. Above 2.1 MeV a sudden onset of a strong GT fragmentation is observed. The degree of fragmentation resembles a situation found in the neighboring A = 76 system (Ge-76), whereas the observed concentration of strength in the three low-lying states is reminiscent of the heavier neighbors Zr-96 and Mo-100. The strong GT transition to the 75 keV (1(+)) state makes Se-82 interesting for solar neutrino detection. The Se-82(nu(e),e(-))Br-82 solar neutrino capture rate in a nonoscillation scenario is therefore evaluated to 668 +/- 12(stat) +/- 60(sys) SNU, and some of the advantages of using selenium for solar neutrino studies are discussed. C1 [Frekers, D.; Alanssari, M.; Holl, M.; Puppe, P.; Thies, J.] Univ Munster, Inst Kernphys, D-48149 Munster, Germany. [Alanssari, M.] Al Nahrain Univ, Baghdad, Iraq. [Adachi, T.] Tohoku Univ, Res Ctr Electron & Photon Sci, Sendai, Miyagi 9820826, Japan. [Cleveland, B. T.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Dozono, M.; Suda, K.] RIKEN, 2-1 Hirosawa, Wako, Saitama 3510198, Japan. [Ejiri, H.; Fujita, H.; Fujiwara, M.; Ishikawa, D.; Okamura, H.; Tamii, A.] Osaka Univ, Res Ctr Nucl Phys, Ibaraki, Osaka 5670047, Japan. [Ejiri, H.] Czech Tech Univ, Nucl Phys, Prague, Czech Republic. [Elliott, S. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Fujita, H.; Fujita, Y.] Osaka Univ, Dept Phys, Toyonaka, Osaka 5600043, Japan. [Matsubara, H.] Univ Tokyo, Ctr Nucl Study, Bunkyo Ku, 7-3-1 Hongo, Tokyo 1130033, Japan. [Yoshida, H. P.] Tohoku Univ, CYRIC, Aoba Ku, Sendai, Miyagi 9808578, Japan. [Cleveland, B. T.] SNOLAB, Lively, ON, Canada. RP Frekers, D (reprint author), Univ Munster, Inst Kernphys, D-48149 Munster, Germany. FU Directorate of RCNP; Deutsche Forschungsgemeinschaft (DFG) [FR 601/3-1]; Al-Nahrain University/Ministry of Higher Education and Scientific Research of Iraq; MEXT, Japan [22540310] FX We thank the RCNP accelerator staff for their fine technical support during the course of the experiment. The generous financial support from the Directorate of RCNP is gratefully acknowledged. This work was supported by the Deutsche Forschungsgemeinschaft (DFG) under grant no. FR 601/3-1. M.A. acknowledges the financial support from Al-Nahrain University/Ministry of Higher Education and Scientific Research of Iraq. Y.F. and A.T. were partly supported by MEXT, Japan under Grant No. 22540310. NR 59 TC 0 Z9 0 U1 1 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 21 PY 2016 VL 94 IS 1 AR 014614 DI 10.1103/PhysRevC.94.014614 PG 10 WC Physics, Nuclear SC Physics GA DR7WI UT WOS:000380110000006 ER PT J AU Kawano, T Capote, R Hilaire, S Huu-Tai, PC AF Kawano, T. Capote, R. Hilaire, S. Huu-Tai, P. Chau TI Statistical Hauser-Feshbach theory with width-fluctuation correction including direct reaction channels for neutron-induced reactions at low energies SO PHYSICAL REVIEW C LA English DT Article ID COMPOUND NUCLEUS REACTIONS; CROSS-SECTIONS; FORMULA; AVERAGE; CHALLENGES; SCATTERING; SCIENCE; PHYSICS; MATRIX; MODEL AB A model to calculate particle-induced reaction cross sections with statistical Hauser-Feshbach theory including direct reactions is given. The energy average of the scattering matrix from the coupled-channels optical model is diagonalized by the transformation proposed by Engelbrecht and Weidenmuller [C. A. Engelbrecht and H. A. Weidenmuller, Phys. Rev. C 8, 859 (1973)]. The ensemble average of S-matrix elements in the diagonalized channel space is approximated by a model of Moldauer [P. A. Moldauer, Phys. Rev. C 12, 744 (1975)] using the newly parametrized channel degree-of-freedom nu(a) to better describe the Gaussian orthogonal ensemble (GOE) reference calculations. The Moldauer approximation is confirmed by a Monte Carlo study using a randomly generated S matrix, as well as the GOE threefold integration formula. The method proposed is applied to the U-238(n,n') cross-section calculation in the fast-energy range, showing an enhancement in the inelastic scattering cross sections. C1 [Kawano, T.] Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. [Capote, R.] IAEA, NAPC Nucl Data Sect, A-1400 Vienna, Austria. [Hilaire, S.; Huu-Tai, P. Chau] CEA, DAM, DIF, F-91297 Arpajon, France. RP Kawano, T (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. EM kawano@lanl.gov RI Capote Noy, Roberto/M-1245-2014 OI Capote Noy, Roberto/0000-0002-1799-3438 FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX We thank H. A. Weidenmuller for valuable comments and encouragement during the course of this work. One of the authors (T.K.) carried out this work under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 37 TC 4 Z9 4 U1 1 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 21 PY 2016 VL 94 IS 1 AR 014612 DI 10.1103/PhysRevC.94.014612 PG 11 WC Physics, Nuclear SC Physics GA DR7WI UT WOS:000380110000004 ER PT J AU Cirigliano, V Dekens, W de Vries, J Mereghetti, E AF Cirigliano, V. Dekens, W. de Vries, J. Mereghetti, E. TI Is there room for CP violation in the top-Higgs sector? SO PHYSICAL REVIEW D LA English DT Article ID ELECTRIC-DIPOLE MOMENT; QUARK EFFECTIVE COUPLINGS; 8 TEV; PROTON COLLISIONS; STANDARD MODEL; BOSON-EXCHANGE; NEUTRON; FLAVOR; ROOT-S=7; DECAY AB We discuss direct and indirect probes of chirality-flipping couplings of the top quark to Higgs and gauge bosons, considering both CP-conserving and CP-violating observables, in the framework of the Standard Model effective field theory. In our analysis we include current and prospective constraints from collider physics, precision electroweak tests, flavor physics, and electric dipole moments (EDMs). We find that low-energy indirect probes are very competitive, even after accounting for long-distance uncertainties. In particular, EDMs put constraints on the electroweak CP-violating dipole moments of the top that are 2 to 3 orders of magnitude stronger than existing limits. The new indirect constraint on the top EDM is given by vertical bar d(t)vertical bar < 5 x 10(-20)e cm at 90% C.L. C1 [Cirigliano, V.; Dekens, W.; Mereghetti, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Dekens, W.] Los Alamos Res Pk, New Mexico Consortium, Los Alamos, NM 87544 USA. [de Vries, J.] Nikhef, Theory Grp, Sci Pk 105, NL-1098 XG Amsterdam, Netherlands. RP Cirigliano, V (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Cirigliano, Vincenzo/0000-0002-9056-754X FU U.S. DOE Office of Nuclear Physics; LDRD program at Los Alamos National Laboratory; Dutch Organization for Scientific Research (NWO) through RUBICON grant; Dutch Organization for Scientific Research (NWO) through VENI grant FX V. C. and E. M. acknowledge support by the U.S. DOE Office of Nuclear Physics and by the LDRD program at Los Alamos National Laboratory. W. D. and J. d. V. acknowledge support by the Dutch Organization for Scientific Research (NWO) through a RUBICON and VENI grant, respectively. NR 110 TC 7 Z9 7 U1 3 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 21 PY 2016 VL 94 IS 1 AR 016002 DI 10.1103/PhysRevD.94.016002 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DR7XB UT WOS:000380111900007 ER PT J AU Kraus, D Chapman, DA Kritcher, AL Baggott, RA Bachmann, B Collins, GW Glenzer, SH Hawreliak, JA Kalantar, DH Landen, OL Ma, T Le Pape, S Nilsen, J Swift, DC Neumayer, P Falcone, RW Gericke, DO Doppner, T AF Kraus, D. Chapman, D. A. Kritcher, A. L. Baggott, R. A. Bachmann, B. Collins, G. W. Glenzer, S. H. Hawreliak, J. A. Kalantar, D. H. Landen, O. L. Ma, T. Le Pape, S. Nilsen, J. Swift, D. C. Neumayer, P. Falcone, R. W. Gericke, D. O. Doeppner, T. TI X-ray scattering measurements on imploding CH spheres at the National Ignition Facility SO PHYSICAL REVIEW E LA English DT Article ID PLASMAS; MATTER; LASER AB We have performed spectrally resolved x-ray scattering measurements on highly compressed polystyrene at pressures of several tens of TPa (100 Mbar) created by spherically convergent shocks at the National Ignition Facility. Scattering data of line radiation at 9.0 keV were recorded from the dense plasma shortly after shock coalescence. Accounting for spatial gradients, opacity effects, and source broadening, we demonstrate the sensitivity of the elastic scattering component to carbon K-shell ionization while at the same time constraining the temperature of the dense plasma. For six times compressed polystyrene, we find an average temperature of 86 eV and carbon ionization state of 4.9, indicating that widely used ionization models need revision in order to be suitable for the extreme states of matter tested in our experiment. C1 [Kraus, D.; Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Chapman, D. A.; Baggott, R. A.; Gericke, D. O.] Univ Warwick, Ctr Fus Space & Astrophys, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Chapman, D. A.] AWE Plc, Dept Radiat Phys, Plasma Phys Grp, Reading RG7 4PR, Berks, England. [Kritcher, A. L.; Bachmann, B.; Collins, G. W.; Hawreliak, J. A.; Kalantar, D. H.; Landen, O. L.; Ma, T.; Le Pape, S.; Nilsen, J.; Swift, D. C.; Doeppner, T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Glenzer, S. H.] SLAC Natl Accelerator Lab, Menlo Pk, CA 94309 USA. [Hawreliak, J. A.] Washington State Univ, Inst Shock Phys, Pullman, WA 99164 USA. [Neumayer, P.] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. RP Kraus, D (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM d.kraus@hzdr.de; doeppner1@llnl.gov OI Baggott, Rory/0000-0003-0331-8164 FU Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344]; Laboratory Directed Research and Development (LDRD) [13-ERD-073]; US Department of Energy, Office of Science, Office of Fusion Energy Sciences; National Nuclear Security Administration [DE-FG52-10NA29649, DE-NA0001859] FX We thank J. Vorberger, R. Redmer, W. R. Johnson, C. A. Iglesias, B. G. Wilson, J. A. Gaffney, P. A. Sterne, and H. A. Scott for valuable discussions. This work was performed with the assistance of Lawrence Livermore National Laboratory (LLNL) under Contract No. DE-AC52-07NA27344 and supported by Laboratory Directed Research and Development (LDRD) Grant No. 13-ERD-073. D.K. and R.W.F. acknowledge support by the US Department of Energy, Office of Science, Office of Fusion Energy Sciences and by the National Nuclear Security Administration under Awards No. DE-FG52-10NA29649 and No. DE-NA0001859. NR 38 TC 4 Z9 4 U1 10 U2 18 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0045 EI 2470-0053 J9 PHYS REV E JI Phys. Rev. E PD JUL 21 PY 2016 VL 94 IS 1 AR 011202 DI 10.1103/PhysRevE.94.011202 PG 5 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA DR7ZG UT WOS:000380117600001 PM 27575070 ER PT J AU Zhang, RL Qin, H Tang, YF Liu, J He, Y Xiao, JY AF Zhang, Ruili Qin, Hong Tang, Yifa Liu, Jian He, Yang Xiao, Jianyuan TI Explicit symplectic algorithms based on generating functions for charged particle dynamics SO PHYSICAL REVIEW E LA English DT Article ID VLASOV-MAXWELL EQUATIONS; INTEGRATION; SCHEMES; SYSTEMS AB Dynamics of a charged particle in the canonical coordinates is a Hamiltonian system, and the well-known symplectic algorithm has been regarded as the de facto method for numerical integration of Hamiltonian systems due to its long-term accuracy and fidelity. For long-term simulations with high efficiency, explicit symplectic algorithms are desirable. However, it is generally believed that explicit symplectic algorithms are only available for sum-separable Hamiltonians, and this restriction limits the application of explicit symplectic algorithms to charged particle dynamics. To overcome this difficulty, we combine the familiar sum-split method and a generating function method to construct second- and third-order explicit symplectic algorithms for dynamics of charged particle. The generating function method is designed to generate explicit symplectic algorithms for product-separable Hamiltonian with form of H(x,p) = p(i) f (x) or H(x, p) = x(i) g(p). Applied to the simulations of charged particle dynamics, the explicit symplectic algorithms based on generating functions demonstrate superiorities in conservation and efficiency. C1 [Zhang, Ruili; Qin, Hong; Liu, Jian; He, Yang; Xiao, Jianyuan] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. [Zhang, Ruili; Qin, Hong; Liu, Jian; He, Yang; Xiao, Jianyuan] Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China. [Zhang, Ruili; Liu, Jian; He, Yang; Xiao, Jianyuan] Chinese Acad Sci, Key Lab Geospace Environm, Hefei 230026, Anhui, Peoples R China. [Qin, Hong] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. [Tang, Yifa] Chinese Acad Sci, Acad Math & Syst Sci, LSEC, Beijing 100190, Peoples R China. RP Qin, H (reprint author), Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China.; Qin, H (reprint author), Univ Sci & Technol China, Sch Nucl Sci & Technol, Hefei 230026, Anhui, Peoples R China.; Qin, H (reprint author), Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. EM hongqin@ustc.edu.cn FU National Natural Science Foundation of China (NSFC) [11305171, 11505186, 11575185, 11575186]; ITER-China Program [2015GB111003, 2014GB124005]; Fundamental Research Funds for the Central Universities [WK2030040068]; China Postdoctoral Science Foundation [2015M581994]; CAS Program for Interdisciplinary Collaboration Team; Geo-Algorithmic Plasma Simulator (GAPS) Project FX This research is supported by the National Natural Science Foundation of China (NSFC Grants No. 11305171, No. 11505186, No. 11575185, and No. 11575186), ITER-China Program (Grants No. 2015GB111003 and No. 2014GB124005), the Fundamental Research Funds for the Central Universities (Grant No. WK2030040068), China Postdoctoral Science Foundation (Grant No. 2015M581994), the CAS Program for Interdisciplinary Collaboration Team, and the Geo-Algorithmic Plasma Simulator (GAPS) Project. NR 53 TC 1 Z9 1 U1 18 U2 21 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0045 EI 2470-0053 J9 PHYS REV E JI Phys. Rev. E PD JUL 21 PY 2016 VL 94 IS 1 AR 013205 DI 10.1103/PhysRevE.94.013205 PG 8 WC Physics, Fluids & Plasmas; Physics, Mathematical SC Physics GA DR7ZG UT WOS:000380117600009 PM 27575228 ER PT J AU Evans, PA Kennea, JA Barthelmy, SD Beardmore, AP Burrows, DN Campana, S Cenko, SB Gehrels, N Giommi, P Gronwall, C Marshall, FE Malesani, D Markwardt, CB Mingo, B Nousek, JA O'Brien, PT Osborne, JP Pagani, C Page, KL Palmer, DM Perri, M Racusin, JL Siegel, MH Sbarufatti, B Tagliaferri, G AF Evans, P. A. Kennea, J. A. Barthelmy, S. D. Beardmore, A. P. Burrows, D. N. Campana, S. Cenko, S. B. Gehrels, N. Giommi, P. Gronwall, C. Marshall, F. E. Malesani, D. Markwardt, C. B. Mingo, B. Nousek, J. A. O'Brien, P. T. Osborne, J. P. Pagani, C. Page, K. L. Palmer, D. M. Perri, M. Racusin, J. L. Siegel, M. H. Sbarufatti, B. Tagliaferri, G. TI Swift follow-up of the gravitational wave source GW150914 SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE gravitational waves; methods: data analysis; X-rays: general ID ALL-SKY SURVEY; X-RAY-TELESCOPE; SOURCE CATALOG; COUNTERPART; SEARCHES; MISSION AB The Advanced Laser Interferometer Gravitational-Wave Observatory (ALIGO) observatory recently reported the first direct detection of gravitational waves (GW) which triggered ALIGO on 2015 September 14. We report on observations taken with the Swift satellite two days after the trigger. No new X-ray, optical, UV or hard X-ray sources were detected in our observations, which were focused on nearby galaxies in the GW error region and covered 4.7 deg(2) similar to 2 per cent of the probability in the rapidly available GW error region; 0.3 per cent of the probability from the final GW error region, which was produced several months after the trigger). We describe the rapid Swift response and automated analysis of the X-ray telescope and UV/Optical telescope data, and note the importance to electromagnetic follow-up of early notification of the progenitor details inferred from GW analysis. C1 [Evans, P. A.; Beardmore, A. P.; Mingo, B.; O'Brien, P. T.; Osborne, J. P.; Pagani, C.; Page, K. L.] Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. [Kennea, J. A.; Burrows, D. N.; Gronwall, C.; Nousek, J. A.; Siegel, M. H.; Sbarufatti, B.] Penn State Univ, Dept Astron & Astrophys, 525 Davey Lab, University Pk, PA 16802 USA. [Barthelmy, S. D.; Cenko, S. B.; Gehrels, N.; Marshall, F. E.; Markwardt, C. B.; Racusin, J. L.] NASA, Goddard Space Flight Ctr, Mail Code 661, Greenbelt, MD 20771 USA. [Campana, S.; Sbarufatti, B.; Tagliaferri, G.] Osserv Astron Brera, INAF, Via E Bianchi 46, I-23807 Merate, Italy. [Cenko, S. B.] Univ Maryland, Joint Space Sci Institude, College Pk, MD 20742 USA. [Giommi, P.; Perri, M.] Agenzia Spaziale Italiana ASI Sci Data Ctr, I-00133 Rome, Italy. [Gronwall, C.] Penn State Univ, Inst Gravitat & Cosmos, Inst Gravitat & Cosmos, University Pk, PA 16802 USA. [Malesani, D.] Univ Copenhagen, Niels Bohr Inst, Dark Cosmol Ctr, Juliane Maries Vej 30, DK-2100 Copenhagen O, Denmark. [Markwardt, C. B.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Palmer, D. M.] Los Alamos Natl Lab, B244, Los Alamos, NM 87545 USA. [Perri, M.] Osserv Astron Roma, INAF, Via Frascati 33, I-00040 Monte Porzio Catone, Italy. RP Evans, PA (reprint author), Univ Leicester, Dept Phys & Astron, Leicester LE1 7RH, Leics, England. EM pae9@leicester.ac.uk OI Sbarufatti, Boris/0000-0001-6620-8347 FU UK Space Agency; Italian Space Agency; National Aeronautics and Space Administration; National Science Foundation; SIMBAD data base FX This work made use of data supplied by the UK Swift Science Data Centre at the University of Leicester, and used the ALICE High Performance Computing Facility at the University of Leicester. This research has made use of the XRT Data Analysis Software (XRT-DAS) developed under the responsibility of the ASI Science Data Center (ASDC), Italy. PAE, APB, BM, KLP and JPO acknowledge UK Space Agency support. SC and GT acknowledge Italian Space Agency support. This publication 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, and the SIMBAD data base, operated at CDS, Strasbourg, France. Fig. 1 was created using the KAPETYN package (Terlouw & Vogelaar 2015). We thank the anonymous referee for their helpful feedback on the original version of the Letter. NR 34 TC 11 Z9 11 U1 1 U2 6 PU OXFORD UNIV PRESS 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 JUL 21 PY 2016 VL 460 IS 1 BP L40 EP L44 DI 10.1093/mnrasl/slw065 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DR3VZ UT WOS:000379832000009 ER PT J AU Arjmand, F Sharma, S Usman, M Leu, BM Hu, MY Toupet, L Gosztola, D Tabassum, S AF Arjmand, F. Sharma, S. Usman, M. Leu, B. M. Hu, M. Y. Toupet, L. Gosztola, D. Tabassum, S. TI Vibrational dynamics (IR, Raman, NRVS) and a DFT study of a new antitumor tetranuclearstannoxane cluster, Sn(IV)-oxo-{di-o-vanillin} dimethyl dichloride SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID NUCLEAR INELASTIC-SCATTERING; SPIN-CROSSOVER COMPLEX; IN-VITRO; DIORGANOTIN(IV) DERIVATIVES; STRUCTURAL-CHARACTERIZATION; CANCER-CHEMOTHERAPY; VIVO; DNA; TIN; SPECTROSCOPY AB The vibrational dynamics of a newly synthesized tetrastannoxane was characterized with a combination of experimental (Raman, IR and tin-based nuclear resonance vibrational spectroscopy) and computational (DFT/B3LYP) methods, with an emphasis on the vibrations of the tin sites. The cytotoxic activity revealed a significant regression selectively against the human pancreatic cell lines. C1 [Arjmand, F.; Sharma, S.; Usman, M.; Tabassum, S.] Aligarh Muslim Univ, Dept Chem, Aligarh 202002, Uttar Pradesh, India. [Leu, B. M.; Hu, M. Y.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Toupet, L.] Univ Rennes 1, Inst Phys Rennes, UMR 625, Campus Beaulieu Bat 11 A,263 Av Gen Leclerc, F-35042 Rennes, France. [Gosztola, D.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Arjmand, F (reprint author), Aligarh Muslim Univ, Dept Chem, Aligarh 202002, Uttar Pradesh, India.; Leu, BM (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM farukh_arjmand@yahoo.co.in; leu@aps.anl.gov FU DST-PURSE programme; DRS-1 (SAP) from UGC, New Delhi; University Grants Commission (UGC), New Delhi; DOE Office of Science [DE-AC02-06CH11357]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX We are thankful to SAIF, CIL, Panjab University, Chandigarh, for the NMR, ESI-Mass and elemental analysis facility. The authors are grateful to ACTREC, Mumbai for carrying out the cytotoxic studies. The financial support from the DST-PURSE programme and DRS-1 (SAP) from UGC, New Delhi is gratefully acknowledged. The author (S. Sharma) expresses her gratitude to the University Grants Commission (UGC), New Delhi, for the BSR Fellowship. This research used resources of the Advanced Photon Source, 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 Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 46 TC 0 Z9 0 U1 4 U2 7 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD JUL 21 PY 2016 VL 18 IS 27 BP 17805 EP 17809 DI 10.1039/c6cp02914k PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DQ8UH UT WOS:000379486200004 PM 27328161 ER PT J AU Hirosawa, K Fujii, K Ueki, T Kitazawa, Y Littrell, KC Watanabe, M Shibayama, M AF Hirosawa, Kazu Fujii, Kenta Ueki, Takeshi Kitazawa, Yuzo Littrell, Kenneth C. Watanabe, Masayoshi Shibayama, Mitsuhiro TI SANS study on the solvated structure and molecular interactions of a thermo-responsive polymer in a room temperature ionic liquid SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ANGLE NEUTRON-SCATTERING; VOLUME-PHASE-TRANSITION; POLY(N-ISOPROPYLACRYLAMIDE) SOLUTIONS; POLY(BENZYL METHACRYLATE); POLY(ETHYLENE OXIDE); SOLVENT SYSTEMS; LINEAR-POLYMERS; BEHAVIOR; GELS; SEPARATION AB We have utilized small-angle neutron scattering (SANS) to quantitatively characterize the LCST-type phase behavior of the poly(benzyl methacrylate) (PBnMA) derivative poly(2-phenylethyl methacrylate) (PPhEtMA) in the deuterated ionic liquid (IL) d(8)-1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide (d(8)-[C(2)mlm(+)][TFSA(-1)). The SANS curves showed a discontinuous change from those characteristics of dispersed polymer chains to those of large aggregates of PPhEtMA chains suspended in the IL solution, indicating that phase separation occurs discontinuously at T-c. Furthermore, we evaluated the enthalpic and entropic contributions to the effective interaction parameter chi(eff) of PPhEtMA in [C(2)mlm(+)][TFSA(-)] and compared them with those of PBnMA. The absolute value of the enthalpic contribution observed for PPhEtMA was smaller than that for PBnMA. This difference in the enthalpic term can be attributed to the unfavorable interaction between the IL and the alkyl group in the side chain of PPhEtMA. In addition, the temperature dependence of chi(eff) was smaller than the previously reported value for a thermo-responsive polymer in an aqueous system. It was found out that the strong dependence of T-c on the chemical structure in IL systems originated from the relatively smaller temperature dependence of chi(eff). C1 [Hirosawa, Kazu; Shibayama, Mitsuhiro] Univ Tokyo, Inst Solid State Phys, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778581, Japan. [Fujii, Kenta] Yamaguchi Univ, Grad Sch Sci & Engn, 2-16-1 Tokiwadai, Ube, Yamaguchi 7558611, Japan. [Ueki, Takeshi] Natl Inst Mat Sci, Polymer Mat Unit, 1-1 Namiki, Tsukuba, Ibaraki 3050044, Japan. [Kitazawa, Yuzo; Watanabe, Masayoshi] Yokohama Natl Univ, Dept Chem & Biotechnol, Hodogaya Ku, 79-5 Tokiwadai, Yokohama, Kanagawa 2408501, Japan. [Littrell, Kenneth C.] Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. RP Shibayama, M (reprint author), Univ Tokyo, Inst Solid State Phys, 5-1-5 Kashiwanoha, Kashiwa, Chiba 2778581, Japan.; Fujii, K (reprint author), Yamaguchi Univ, Grad Sch Sci & Engn, 2-16-1 Tokiwadai, Ube, Yamaguchi 7558611, Japan. EM k-fujii@yamaguchi-u.ac.jp; sibayama@issp.u-tokyo.ac.jp RI Ueki, Takeshi/J-4251-2015; Shibayama, Mitsuhiro/E-1646-2015; Littrell, Kenneth/D-2106-2013 OI Ueki, Takeshi/0000-0001-9317-6280; Shibayama, Mitsuhiro/0000-0002-8683-5070; Littrell, Kenneth/0000-0003-2308-8618 FU Ministry of Education, Culture, Sports, Science, and Technology [22245018]; US Japan Cooperative Program on Neutron Scattering; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; Japan Society for the Promotion of Science through Program for Leading Graduate Schools (MERIT) FX This work has been financially supported by Grants-in-Aid for Scientific Research from the Ministry of Education, Culture, Sports, Science, and Technology (No. 22245018 to M. S.). The experiment (IPTS12408.1) using the General-Purpose SANS (CG-2) at Oak Ridge National Laboratory was supported by the US Japan Cooperative Program on Neutron Scattering. Travel expenses for the experiment were also supported by General User Program for Neutron Scattering Experiments, Institute for Solid State Physics, The University of Tokyo (proposal no. 14906), at JRR-3, Japan Atomic Energy Agency, Tokai, Japan. The High Flux Isotope Reactor and beamline CG2 of ORNL was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. K. H. was supported by Japan Society for the Promotion of Science through Program for Leading Graduate Schools (MERIT). NR 65 TC 2 Z9 2 U1 6 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD JUL 21 PY 2016 VL 18 IS 27 BP 17881 EP 17889 DI 10.1039/c6cp02254e PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DQ8UH UT WOS:000379486200015 PM 27314165 ER PT J AU Benali, A Shulenburger, L Krogel, JT Zhong, XL Kent, PRC Heinonen, O AF Benali, Anouar Shulenburger, Luke Krogel, Jaron T. Zhong, Xiaoliang Kent, Paul R. C. Heinonen, Olle TI Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magneli phase SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID STRONGLY CORRELATED SYSTEMS; SELF-INTERACTION CORRECTION; DENSITY-FUNCTIONAL THEORY; TRANSITION-METAL OXIDES; MEAN-FIELD THEORY; ELECTRONIC-STRUCTURE; COULOMB INTERACTIONS; TITANIUM-OXIDES; LDA+U METHOD; SOLAR-CELLS AB The Magneli phase Ti4O7 is an important transition metal oxide with a wide range of applications because of its interplay between charge, spin, and lattice degrees of freedom. At low temperatures, it has non-trivial magnetic states very close in energy, driven by electronic exchange and correlation interactions. We have examined three low-lying states, one ferromagnetic and two antiferromagnetic, and calculated their energies as well as Ti spin moment distributions using highly accurate quantum Monte Carlo methods. We compare our results to those obtained from density functional theory-based methods that include approximate corrections for exchange and correlation. Our results confirm the nature of the states and their ordering in energy, as compared with density-functional theory methods. However, the energy differences and spin distributions differ. A detailed analysis suggests that non-local exchange-correlation functionals, in addition to other approximations such as LDA+U to account for correlations, are needed to simultaneously obtain better estimates for spin moments, distributions, energy differences and energy gaps. C1 [Benali, Anouar] Argonne Natl Lab, Argonne Leadership Comp Facil, 9700 S Cass Ave, Argonne, IL 60439 USA. [Shulenburger, Luke] Sandia Natl Labs, HEDP Theory Dept, POB 5800, Albuquerque, NM 87185 USA. [Krogel, Jaron T.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Zhong, Xiaoliang; Heinonen, Olle] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Kent, Paul R. C.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Kent, Paul R. C.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Heinonen, Olle] Northwestern Univ, Northwestern Argonne Inst Sci & Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA. RP Heinonen, O (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA.; Heinonen, O (reprint author), Northwestern Univ, Northwestern Argonne Inst Sci & Engn, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM heinonen@anl.gov RI Kent, Paul/A-6756-2008; OI Kent, Paul/0000-0001-5539-4017; Krogel, Jaron/0000-0002-1859-181X FU DOE Office of Science [DE-AC02-06CH11357]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Predictive Theory and Modeling for Materials and Chemical Science program by the Basic Energy Science (BES), Department of Energy (DOE); Department of Energy, Office of Science, Division of Materials Science and Engineering; U. S. DOE, Office of Science [DE-AC02-06CH11357] FX An award of computer time was provided by the Innovative and Novel Computational Impact on Theory and Experiment (INCITE) program. This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. AB, LK, JK and PK are supported through Predictive Theory and Modeling for Materials and Chemical Science program by the Basic Energy Science (BES), Department of Energy (DOE). The work by O. H. was supported by the Department of Energy, Office of Science, Division of Materials Science and Engineering. X. Z. was supported by U. S. DOE, Office of Science under Contract No. DE-AC02-06CH11357. NR 91 TC 1 Z9 1 U1 11 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PD JUL 21 PY 2016 VL 18 IS 27 BP 18323 EP 18335 DI 10.1039/c6cp02067d PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DQ8UH UT WOS:000379486200061 PM 27334262 ER PT J AU Apresyan, A Bolla, G Bornheim, A Kim, H Los, S Pena, C Ramberg, E Ronzhin, A Spiropulu, M Xie, S AF Apresyan, A. Bolla, G. Bornheim, A. Kim, H. Los, S. Pena, C. Ramberg, E. Ronzhin, A. Spiropulu, M. Xie, S. TI Test beam studies of silicon timing for use in calorimetry SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Silicon; Timing; Calorimeter ID SHOWER MAXIMUM DETECTOR; MICROCHANNEL PLATES; ACTIVE ELEMENT AB The high luminosity upgrade of the Large Hadron Collider (HL-LHC) at CERN is expected to provide instantaneous luminosities of 5 x 10(34) cm(-2) s(-1). The high luminosities expected at the HL-LHC will be accompanied by a factor of 5-10 more pileup compared with LHC conditions in 2015, further increasing the challenge for particle identification and event reconstruction. Precision timing allows us to extend calorimetric measurements into such a high density environment by subtracting the energy deposits from pileup interactions. Calorimeters employing silicon as the active component have recently become a viable choice for the HL-LHC and future collider experiments which face very high radiation environments. In this paper, we present studies of basic calorimetric and precision timing measurements using a prototype composed of tungsten absorber and silicon sensor as the active medium. We show that for the bulk of electromagnetic showers induced by electrons in the range of 20-30 GeV, we can achieve time resolutions better than 25 ps per single pad sensor. (C) 2016 Published by Elsevier B.V. C1 [Apresyan, A.; Bornheim, A.; Pena, C.; Spiropulu, M.; Xie, S.] CALTECH, Pasadena, CA 91125 USA. [Bolla, G.; Los, S.; Ramberg, E.; Ronzhin, A.] Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. [Kim, H.] Univ Chicago, Chicago, IL 60637 USA. RP Los, S (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM los@fnal.gov FU Fermi Research Alliance, LLC [DE-AC02-07CH11359]; California Institute of Technology High Energy Physics [DE-SC0011925]; United States Department of Energy FX Operated by Fermi Research Alliance, LLC under Contract no. DE-AC02-07CH11359 with the United States Department of Energy. Supported by funding from California Institute of Technology High Energy Physics under Contract DE-SC0011925 with the United States Department of Energy. We thank the FTBF personnel for very good beam conditions during our test beam time. We also appreciate the technical support of the Fermilab SiDet department for the production of high quality silicon samples. NR 11 TC 0 Z9 0 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2016 VL 825 BP 62 EP 68 DI 10.1016/j.nima.2016.04.031 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DM9VL UT WOS:000376713700008 ER PT J AU Verbeke, JM Glenn, AM Keefer, GJ Wurtz, RE AF Verbeke, J. M. Glenn, A. M. Keefer, G. J. Wurtz, R. E. TI Method for measuring multiple scattering corrections between liquid scintillators SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Liquid scintillators; Crosstalk; Multiple scattering; Neutron multiplicity; Neutron correlation; Fissile materials ID CROSS-TALK; NEUTRON; DETECTORS AB A time-of-flight method is proposed to experimentally quantify the fractions of neutrons scattering between scintillators. An array of scintillators is characterized in terms of crosstalk with this method by measuring a californium source, for different neutron energy thresholds. The spectral information recorded by the scintillators can be used to estimate the fractions of neutrons multiple scattering. With the help of a correction to Feynman's point model theory to account for multiple scattering, these fractions can in turn improve the mass reconstruction of fissile materials under investigation. Published by Elsevier B.V. C1 [Verbeke, J. M.; Glenn, A. M.; Keefer, G. J.; Wurtz, R. E.] Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. RP Verbeke, JM (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM verbeke2@llnl.gov; glenn22@llnl.gov; keefer1@llnl.gov; wurtz1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Office of Defense Nuclear Nonproliferation Research and Development in DOE/NNSA FX This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. J.M. Verbeke wishes to acknowledge the Office of Defense Nuclear Nonproliferation Research and Development in DOE/NNSA for their support. NR 17 TC 0 Z9 0 U1 3 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD JUL 21 PY 2016 VL 825 BP 69 EP 77 DI 10.1016/j.nima.2016.04.003 PG 9 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA DM9VL UT WOS:000376713700009 ER PT J AU Cheng, C Wang, ST Wu, JN Yu, YC Li, RZ Eda, S Chen, JG Feng, GY Lawrie, B Hu, AM AF Cheng, Cheng Wang, Shutong Wu, Jayne Yu, Yongchao Li, Ruozhou Eda, Shigetoshi Chen, Jiangang Feng, Guoying Lawrie, Benjamin Hu, Anming TI Bisphenol A Sensors on Polyimide Fabricated by Laser Direct Writing for Onsite River Water Monitoring at Attomolar Concentration SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE capacitive sensing; ac electroosmosis; aptasensor; point of care; laser direct writing ID COMPETITIVE IMMUNOASSAY; INFECTIOUS-DISEASES; SENSITIVE DETECTION; CHIP APPLICATIONS; SURFACE-WATER; IMMUNOSENSOR; GRAPHENE; STEP; SERODIAGNOSIS; NANOPARTICLES AB This work presents an aptamer-based, highly sensitive and specific sensor for atto- to femtomolar level detection of bisphenol A (BPA). Because of its widespread use in numerous products, BPA enters surface water from effluent discharges during its manufacture, use, and from waste landfill sites throughout the world. On-site measurement of BPA concentrations in water is important for evaluating compliance with water quality standards or environmental risk levels of the harmful compound in the environment. The sensor in this work is porous, conducting, interdigitated electrodes that are formed by laser-induced carbonization of flexible polyimide sheets. BPA-specific aptamer is immobilized on the electrodes as the probe, and its binding with BPA at the electrode surface is detected by capacitive sensing. The binding process is aided by ac electroosmotic effect that accelerates the transport of BPA molecules to the nanoporous graphene-like structured electrodes. The sensor achieved a limit of detection of 58.28 aM with a response time of 20 s. The sensor is further applied for recovery analysis of BPA spiked in surface water. This work provides an affordable platform for highly sensitive, real time, and field-deployable BPA surveillance critical to the evaluation of the ecological impact of BPA exposure. C1 [Cheng, Cheng; Wu, Jayne] Univ Tennessee, Dept Elect Engn & Comp Sci, 1520 Middle Dr, Knoxville, TN 37996 USA. [Wang, Shutong; Yu, Yongchao; Li, Ruozhou; Hu, Anming] Univ Tennessee, Dept Mech Aerosp & Biomed Engn, 1512 Middle Dr, Knoxville, TN 37996 USA. [Eda, Shigetoshi] Univ Tennessee, Inst Agr, Dept Forestry Wildlife & Fisheries, 2431 Joe Johnson Dr, Knoxville, TN 37996 USA. [Chen, Jiangang] Univ Tennessee, Dept Publ Hlth, 1914 Andy Holt Ave, Knoxville, TN 37996 USA. [Wang, Shutong; Feng, Guoying] Sichuan Univ, Coll Elect & Informat Engn, 24 South Sect 1,Yihuan Rd, Chengdu 610065, Peoples R China. [Lawrie, Benjamin] Oak Ridge Natl Lab, Comp Sci & Engn Div, Oak Ridge, TN 37831 USA. [Hu, Anming] Beijing Univ Technol, Inst Laser Engn, 100 Pingleyuan, Beijing 100124, Peoples R China. RP Wu, JN (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, 1520 Middle Dr, Knoxville, TN 37996 USA.; Hu, AM (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, 1512 Middle Dr, Knoxville, TN 37996 USA.; Hu, AM (reprint author), Beijing Univ Technol, Inst Laser Engn, 100 Pingleyuan, Beijing 100124, Peoples R China. EM jaynewu@utk.edu; ahu3@utk.edu RI Hu, Anming/E-7370-2011; OI Hu, Anming/0000-0001-9794-0549; Lawrie, Ben/0000-0003-1431-066X; Wu, Jie/0000-0001-5143-9425 FU University of Tennessee Organized Research Unit Initiative for PON/POC Nanobiosensing; University of Tennessee Center for Wildlife Health; University of Tennessee; University of Tennessee Knoxville (UTK); Oak Ridge National Laboratory (ORNL), Nature Science Foundation of China (NSFC) [51575016]; Beijing Natural Science Foundation [KZ20141000500]; U.S. Department of Energy [DE-AC05-00OR22725] FX J. Wu, J. Chen, and A. Hu acknowledge the support of the University of Tennessee Organized Research Unit "Initiative for PON/POC Nanobiosensing. BPA detection work was supported by the University of Tennessee Center for Wildlife Health. A. Hu acknowledged the research initiative funding provided by the University of Tennessee as a new hire package. This nanomanufacturing research was supported in part by the Joint Development Research and Development (JDRD) program between The University of Tennessee Knoxville (UTK) and Oak Ridge National Laboratory (ORNL), Nature Science Foundation of China (NSFC) under Grant Number 51575016, and a strategic research grant (Grant KZ20141000500, B-type) of Beijing Natural Science Foundation. This work was also performed in part at Oak Ridge National Laboratory, operated by UT-Battelle for the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 60 TC 2 Z9 2 U1 15 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD JUL 20 PY 2016 VL 8 IS 28 BP 17784 EP 17792 DI 10.1021/acsmi.6b03743 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA DS0PE UT WOS:000380298400007 PM 27351908 ER PT J AU Ajello, M Ghisellini, G Paliya, VS Kocevski, D Tagliaferri, G Madejski, G Rau, A Schady, P Greiner, J Massaro, F Balokovic, M Buhler, R Giomi, M Marcotulli, L D'Ammando, F Stern, D Boggs, SE Christensen, FE Craig, WW Hailey, CJ Harrison, FA Zhang, WW AF Ajello, M. Ghisellini, G. Paliya, V. S. Kocevski, D. Tagliaferri, G. Madejski, G. Rau, A. Schady, P. Greiner, J. Massaro, F. Balokovic, M. Buehler, R. Giomi, M. Marcotulli, L. D'Ammando, F. Stern, D. Boggs, S. E. Christensen, F. E. Craig, W. W. Hailey, C. J. Harrison, F. A. Zhang, W. W. TI NUSTAR, SWIFT, AND GROND OBSERVATIONS OF THE FLARING MEV BLAZAR PMN J0641-0320 SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: active; quasars: general; quasars: individual (PMN J0641-0320); X-rays: general ID ACTIVE GALACTIC NUCLEI; LARGE-AREA TELESCOPE; SUPERMASSIVE BLACK-HOLES; BURST ALERT TELESCOPE; GAMMA-RAY SOURCES; RELATIVISTIC JETS; DISTANT BLAZAR; HOST GALAXIES; HIGH-REDSHIFT; EMISSION AB MeV blazars are a sub-population of the blazar family, exhibiting larger-than-average jet powers, accretion luminosities, and black hole masses. Because of their extremely hard X-ray continua, these objects are best studied in the X-ray domain. Here, we report on the discovery by the Fermi Large Area Telescope and subsequent follow-up observations with NuSTAR, Swift, and GROND of a new member of the MeV blazar family: PMN J0641-0320. Our optical spectroscopy provides confirmation that this is a flat-spectrum radio quasar located at a redshift of z = 1.196. Its very hard NuSTAR spectrum (power-law photon index of similar to 1 up to similar to 80 keV) indicates that the emission is produced via inverse Compton scattering off of photons coming from outside the jet. The overall spectral energy distribution of PMN J0641-0320 is typical of powerful blazars and, using a simple one-zone leptonic emission model, we infer that the emission region is located either inside the broad line region or within the dusty torus. C1 [Ajello, M.; Paliya, V. S.; Marcotulli, L.] Clemson Univ, Dept Phys & Astron, Kinard Lab Phys, Clemson, SC 29634 USA. [Ghisellini, G.] Ist Nazl Fis Nucl, Osservatorio Astronomico Brera, Via E Bianchi 46, I-23807 Merate, Italy. [Paliya, V. S.] Indian Inst Astrophys, Block 2 Koramangala, Bangalore 560034, Karnataka, India. [Kocevski, D.; Zhang, W. W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Madejski, G.] SLAC Natl Accelerator Lab, Kavli Inst Particle Astrophys & Cosmol, Menlo Pk, CA 94025 USA. [Rau, A.; Schady, P.; Greiner, J.] Max Planck Inst Extraterr Phys, Giessenbachstr 1, D-85748 Garching, Germany. [Massaro, F.] Univ Turin, Dipartimento Fis, Via Pietro Giuria 1, I-10125 Turin, Italy. [Balokovic, M.; Harrison, F. A.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Buehler, R.; Giomi, M.] DESY, D-15738 Zeuthen, Germany. [D'Ammando, F.] INAF, Ist Radioastron, I-40129 Bologna, Italy. [D'Ammando, F.] Univ Bologna, Dipartimento Astron, I-40127 Bologna, Italy. [Stern, D.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Boggs, S. E.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Christensen, F. E.; Craig, W. W.] Tech Univ Denmark, DTU Space Natl Space Inst, Elektrovej 327, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, 538 W 120th St, New York, NY 10027 USA. RP Ajello, M (reprint author), Clemson Univ, Dept Phys & Astron, Kinard Lab Phys, Clemson, SC 29634 USA. EM majello@clemson.edu RI Massaro, Francesco/L-9102-2016; OI Massaro, Francesco/0000-0002-1704-9850; Ajello, Marco/0000-0002-6584-1703 FU NASA grant [NNH09ZDA001N]; International Fulbright Science and Technology Award; NASA Headquarters under the NASA Earth and Space Science Fellowship Program [NNX14AQ07H]; Istituto Nazionale di Astrofisica in Italy; Centre National d'Etudes Spatiales in France; NASA [NNG08FD60C]; National Aeronautics and Space Administration; Leibniz-Prize (DFG grant) [HA 1850/28-1] FX We thank the anonymous referee for useful comments. M.A. acknowledges generous support from NASA grant NNH09ZDA001N. M.B. acknowledges support from the International Fulbright Science and Technology Award and from NASA Headquarters under the NASA Earth and Space Science Fellowship Program, grant NNX14AQ07H.; The Fermi-LAT Collaboration acknowledges generous ongoing support from a number of agencies and institutes that have supported both the development and the operation of LAT as well as scientific data analysis. These include the National Aeronautics and Space Administration and the Department of Energy in the United States, the Commissariat a l'Energie Atomique and the Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France, the Agenzia Spaziale Italiana and the Istituto Nazionale di Fisica Nucleare in Italy, the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), High Energy Accelerator Research Organization (KEK) and Japan Aerospace Exploration Agency (JAXA) in Japan, and the K. A. Wallenberg Foundation, the Swedish Research Council and the Swedish National Space Board in Sweden. Additional support for science analysis during the operations phase is gratefully acknowledged from the Istituto Nazionale di Astrofisica in Italy and the Centre National d'Etudes Spatiales in France.; This NuSTAR work was supported under NASA Contract No. NNG08FD60C, and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR Operations, Software, and Calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA).; Part of this work is based on archival data, software, or online services provided by the ASI Data Center (ASDC). This research has made use of the XRT Data Analysis Software (XRTDAS). Part of the funding for GROND (both hardware and personnel) was generously granted by the Leibniz-Prize to G. Hasinger (DFG grant HA 1850/28-1). NR 66 TC 0 Z9 0 U1 1 U2 1 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 JUL 20 PY 2016 VL 826 IS 1 AR 76 DI 10.3847/0004-637X/826/1/76 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DU1IU UT WOS:000381962200076 ER PT J AU Dong, RB Fung, J Chiang, E AF Dong, Ruobing Fung, Jeffrey Chiang, Eugene TI HOW SPIRALS AND GAPS DRIVEN BY COMPANIONS IN PROTOPLANETARY DISKS APPEAR IN SCATTERED LIGHT AT ARBITRARY VIEWING ANGLES SO ASTROPHYSICAL JOURNAL LA English DT Article DE circumstellar matter; planet-disk interactions; planets and satellites: formation; protoplanetary disks; stars: pre-main sequence; stars: variables: T Tauri, Herbig Ae/Be ID GEMINI PLANET IMAGER; CIRCUMSTELLAR DISK; TRANSITIONAL DISK; AB AURIGAE; OBSERVATIONAL SIGNATURES; IMAGING POLARIMETRY; ASYMMETRIC FEATURES; MULTIPLE PLANETS; AU MICROSCOPII; GIANT PLANETS AB Direct imaging observations of protoplanetary disks at near-infrared (NIR) wavelengths have revealed structures of potentially planetary origin. Investigations of observational signatures from planet-induced features have so far focused on disks viewed face-on. Combining 3D hydrodynamics and radiative transfer simulations, we study how the appearance of the spiral arms and the gap produced in a disk by a companion varies with inclination and position angle in NIR scattered light. We compare the cases of a 3M(J) and a 0.1M(circle dot) companion, and make predictions suitable for testing with Gemini/GPI, Very Large Telescope/NACO/SPHERE, and Subaru/HiCIAO/SCExAO. We find that the two trailing arms produced by an external perturber can have a variety of morphologies in inclined systems-they may appear as one trailing arm; two trailing arms on the same side of the disk; or two arms winding in opposite directions. The disk ring outside a planetary gap may also mimic spiral arms when viewed at high inclinations. We suggest potential explanations for the features observed in HH. 30, HD. 141569. A, AK. Sco, HD. 100546, and AB. Aur. We emphasize that inclined views of companion-induced features cannot be converted into face-on views using simple and commonly practiced image deprojections. C1 [Dong, Ruobing] Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. [Dong, Ruobing; Fung, Jeffrey; Chiang, Eugene] Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. RP Dong, RB (reprint author), Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA.; Dong, RB (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM rdong2013@berkeley.edu FU NASA through Hubble Fellowship grant - Space Telescope Science Institute [HST-HF-51320.01-A]; NASA [NAS 5-26555]; NSF; Center for Integrative Planetary Science at the University of California, Berkeley; UC Berkeley Vice Chancellor for Research; Berkeley Center for Integrative Planetary Science FX We thank Markus Janson and Jun Hashimoto for kindly sharing with us the SPHERE image of AK Sco and the HiCIAO image of AB Aur, respectively. An anonymous referee provided a helpful and encouraging report. This project is supported by NASA through Hubble Fellowship grant HST-HF-51320.01-A (RD) awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., for NASA, under contract NAS 5-26555. EC acknowledges support from NASA and the NSF. JF is grateful for the support from the Center for Integrative Planetary Science at the University of California, Berkeley. Numerical calculations were performed on the SAVIO cluster provided by the Berkeley Research Computing program, supported by the UC Berkeley Vice Chancellor for Research and the Berkeley Center for Integrative Planetary Science. NR 59 TC 4 Z9 4 U1 2 U2 2 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 JUL 20 PY 2016 VL 826 IS 1 AR 75 DI 10.3847/0004-637X/826/1/75 PG 21 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DU1IU UT WOS:000381962200075 ER PT J AU Gotthelf, EV Mori, K Aliu, E Paredes, JM Tomsick, JA Boggs, SE Christensen, FE Craig, WW Hailey, CJ Harrison, FA Hong, JS Rahoui, F Stern, D Zhang, WW AF Gotthelf, E. V. Mori, K. Aliu, E. Paredes, J. M. Tomsick, J. A. Boggs, S. E. Christensen, F. E. Craig, W. W. Hailey, C. J. Harrison, F. A. Hong, J. S. Rahoui, F. Stern, D. Zhang, W. W. TI HARD X-RAY EMISSION FROM SH 2-104: A NuSTAR SEARCH FOR GAMMA-RAY COUNTERPARTS SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM: individual objects (Sh 2-104, MGRO J2019+37, 3XMM J201744.7+365045, VER J2019+368); pulsars: individual (NuSTAR J201744.3+364812); stars: neutron ID GALACTIC PLANE; CLUSTER WESTERLUND-1; TEMPERATURE RELATION; MGRO J2019+37; XMM-NEWTON; TELESCOPE; DISCOVERY; REGION; YOUNG; PULSAR AB We present NuSTAR hard X-ray observations of Sh 2-104, a compact H II region containing several young massive stellar clusters (YMSCs). We have detected distinct hard X-ray sources coincident with localized VERITAS TeV emission recently resolved from the giant gamma-ray complex MGRO J2019+37 in the Cygnus region. Fainter, diffuse X-rays coincident with the eastern YMSC in Sh2-104 likely result from the colliding winds of a component star. Just outside the radio shell of Sh 2-104 lies 3XMM J201744.7+365045 and a nearby nebula, NuSTAR J201744.3+364812, whose properties are most consistent with extragalactic objects. The combined XMM-Newton and NuSTAR spectrum of 3XMM J201744.7+365045 is well-fit to an absorbed power-law model with N-H= (3.1 +/- 1.0) x 10(22) cm(-2) and a photon index Gamma= 2.1 +/- 0.1. Based on possible long-term flux variation and the lack of detected pulsations (<= 43% modulation), this object is likely a background active galactic nucleus rather than a Galactic pulsar. The spectrum of the NuSTAR nebula shows evidence of an emission line at E = 5.6 keV, suggesting an optically obscured galaxy cluster at z = 0.19 +/- 0.02 (d = 800 Mpc) and L-X = 1.2 x 10(44) erg s(-1). Follow-up Chandra observations of Sh 2-104 will help identify the nature of the X-ray sources and their relation to MGRO J2019+37. We also show that the putative VERITAS excess south of Sh 2-104, is most likely associated with the newly discovered Fermi pulsar PSR J2017+3625 and not the H II region. C1 [Gotthelf, E. V.; Mori, K.; Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, 550 West 120th St, New York, NY 10027 USA. [Gotthelf, E. V.; Aliu, E.; Paredes, J. M.] Univ Barcelona, IEEC UB, Dept Fis Quant & Astrofis, Inst Ciencies Cosmos, Marti i Franques 1, E-08028 Barcelona, Spain. [Tomsick, J. A.; Boggs, S. E.; Craig, W. W.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Christensen, F. E.] Tech Univ Denmark, DTU Space Natl Space Inst, Elektrovej 327, DK-2800 Lyngby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Harrison, F. A.] CALTECH, Cahill Ctr Astron & Astrophys, Pasadena, CA 91125 USA. [Hong, J. S.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Rahoui, F.] Harvard Univ, Dept Astron, 60 Garden St, Cambridge, MA 02138 USA. [Stern, D.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Zhang, W. W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Rahoui, F.] European Southern Observ, Karl Schwarzchild Str 2, D-85748 Garching, Germany. RP Gotthelf, EV (reprint author), Columbia Univ, Columbia Astrophys Lab, 550 West 120th St, New York, NY 10027 USA.; Gotthelf, EV (reprint author), Univ Barcelona, IEEC UB, Dept Fis Quant & Astrofis, Inst Ciencies Cosmos, Marti i Franques 1, E-08028 Barcelona, Spain. EM eric@astro.columbia.edu FU NASA [NNG08FD60C]; National Aeronautics and Space Administration; National Aeronautics and Space Administration through XMM-Newton Award [NNX15AG28G]; Chandra Award [G05-16061X]; National Aeronautics Space Administration [NAS8-03060]; Spanish MINECO under grants of ICCUB (Unidad de Excelencia "Maria de Maeztu") [AYA2013-47447-C3-1-P, MDM-2014-0369]; Catalan DEC grant [SGR 86]; ICREA Academia FX This work was supported under NASA Contract No. NNG08FD60C and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by the National Aeronautics and Space Administration. We thank the NuSTAR operations, software, and calibration teams for support with the execution and analysis of these observations. This research has made use of the NuSTAR Data Analysis Software (NuSTARDAS) jointly developed by the ASI Science Data Center (ASDC, Italy) and the California Institute of Technology (USA). E.V.G. acknowledges partial support by the National Aeronautics and Space Administration through XMM-Newton Award Number NNX15AG28G and Chandra Award Number G05-16061X, issued by the Chandra X-ray Observatory Center, which is operated by the Smithsonian Astrophysical Observatory for and on behalf of the National Aeronautics Space Administration under contract NAS8-03060. J.M.P. acknowledges support by the Spanish MINECO under grants AYA2013-47447-C3-1-P, MDM-2014-0369 of ICCUB (Unidad de Excelencia "Maria de Maeztu"), and the Catalan DEC grant 2014 SGR 86 and ICREA Academia. NR 44 TC 0 Z9 0 U1 1 U2 1 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 JUL 20 PY 2016 VL 826 IS 1 AR 25 DI 10.3847/0004-637X/826/1/25 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DU1IU UT WOS:000381962200025 ER PT J AU Grefenstette, BW Glesener, L Krucker, S Hudson, H Hannah, IG Smith, DM Vogel, JK White, SM Madsen, KK Marsh, AJ Caspi, A Chen, B Shih, A Kuhar, M Boggs, SE Christensen, FE Craig, WW Forster, K Hailey, CJ Harrison, FA Miyasaka, H Stern, D Zhang, WW AF Grefenstette, Brian W. Glesener, Lindsay Krucker, Sam Hudson, Hugh Hannah, Iain G. Smith, David M. Vogel, Julia K. White, Stephen M. Madsen, Kristin K. Marsh, Andrew J. Caspi, Amir Chen, Bin Shih, Albert Kuhar, Matej Boggs, Steven E. Christensen, Finn E. Craig, William W. Forster, Karl Hailey, Charles J. Harrison, Fiona A. Miyasaka, Hiromasa Stern, Daniel Zhang, William W. TI THE FIRST FOCUSED HARD X-RAY IMAGES OF THE SUN WITH NuSTAR SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; methods: data analysis; Sun: X-rays, gamma rays ID SOLAR-FLARES; ACCELERATION REGION; ENERGY-DISTRIBUTION; QUIET SUN; MICROFLARES; NANOFLARES; TELESCOPE; MISSION; RHESSI; EMISSION AB We present results from the the first campaign of dedicated solar observations undertaken by the Nuclear Spectroscopic Telescope ARray (NuSTAR) hard X-ray (HXR) telescope. Designed as an astrophysics mission, NuSTAR nonetheless has the capability of directly imaging the Sun at HXR energies (>3 keV) with an increase in sensitivity of at least two magnitude compared to current non-focusing telescopes. In this paper we describe the scientific areas where NuSTAR will make major improvements on existing solar measurements. We report on the techniques used to observe the Sun with NuSTAR, their limitations and complications, and the procedures developed to optimize solar data quality derived from our experience with the initial solar observations. These first observations are briefly described, including the measurement of the Fe K-shell lines in a decaying X-class flare, HXR emission from high in the solar corona, and full-disk HXR images of the Sun. C1 [Grefenstette, Brian W.; Madsen, Kristin K.; Forster, Karl; Harrison, Fiona A.; Miyasaka, Hiromasa] CALTECH, Cahill Ctr Astrophys, 1216 E Calif Blvd, Pasadena, CA 91125 USA. [Glesener, Lindsay] Univ Minnesota Twin Cities, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Glesener, Lindsay; Krucker, Sam; Hudson, Hugh; Boggs, Steven E.; Craig, William W.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Krucker, Sam; Kuhar, Matej] Univ Appl Sci & Arts Northwestern Switzerland, CH-5210 Windisch, Switzerland. [Hudson, Hugh; Hannah, Iain G.] Univ Glasgow, SUPA Sch Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland. [Smith, David M.; Marsh, Andrew J.] Univ Calif Santa Cruz, Dept Phys, 1156 High St, Santa Cruz, CA 95064 USA. [Smith, David M.; Marsh, Andrew J.] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, 1156 High St, Santa Cruz, CA 95064 USA. [Vogel, Julia K.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Div Phys, Livermore, CA 94550 USA. [White, Stephen M.] US Air Force, Res Lab, Albuquerque, NM USA. [Caspi, Amir] Southwest Res Inst, Boulder, CO 80302 USA. [Chen, Bin] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. [Shih, Albert] NASA, Goddard Space Flight Ctr, Solar Phys Lab, Greenbelt, MD 20771 USA. [Christensen, Finn E.] Tech Univ Denmark, Natl Space Inst, DTU Space, Elektrovej 327, DK-2800 Lyngby, Denmark. [Craig, William W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hailey, Charles J.] Columbia Univ, Columbia Astrophys Lab, 538 W 120th St, New York, NY 10027 USA. [Stern, Daniel] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Zhang, William W.] NASA, Goddard Space Flight Ctr, Astrophys Sci Div, Greenbelt, MD 20771 USA. RP Grefenstette, BW (reprint author), CALTECH, Cahill Ctr Astrophys, 1216 E Calif Blvd, Pasadena, CA 91125 USA. EM bwgref@srl.caltech.edu RI Hannah, Iain/F-1972-2011; OI Hannah, Iain/0000-0003-1193-8603; Hudson, Hugh/0000-0001-5685-1283; Glesener, Lindsay/0000-0001-7092-2703; Madsen, Kristin/0000-0003-1252-4891; Caspi, Amir/0000-0001-8702-8273 FU NASA [NNX12AJ36G, NNX14AG07G, NNX15AK26G, NNX14AN84G]; Swiss National Science Foundation [200021-140308]; NASA Earth and Space Science Fellowship [NNX13AM41H]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Royal Society University Research Fellowship FX This work was supported under NASA contract NNG08FD60C and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by NASA. Additional funding for this work was also provided under NASA grants NNX12AJ36G and NNX14AG07G. S.K. acknowledges funding from the Swiss National Science Foundation (200021-140308). A.J.M.'s participation was supported by NASA Earth and Space Science Fellowship award NNX13AM41H. Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. A.C. was supported by NASA grants NNX15AK26G and NNX14AN84G. I.G.H. is supported by a Royal Society University Research Fellowship. NR 37 TC 3 Z9 3 U1 1 U2 1 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 JUL 20 PY 2016 VL 826 IS 1 AR 20 DI 10.3847/0004-637X/826/1/20 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DU1IU UT WOS:000381962200020 ER PT J AU Ukwatta, TN Hurley, K MacGibbon, JH Svinkin, DS Aptekar, RL Golenetskii, SV Frederiks, DD Pal'shin, VD Goldsten, J Boynton, W Kozyrev, AS Rau, A von Kienlin, A Zhang, X Connaughton, V Yamaoka, K Ohno, M Ohmori, N Feroci, M Frontera, F Guidorzi, C Cline, T Gehrels, N Krimm, HA McTiernan, J AF Ukwatta, T. N. Hurley, K. MacGibbon, J. H. Svinkin, D. S. Aptekar, R. L. Golenetskii, S. V. Frederiks, D. D. Pal'shin, V. D. Goldsten, J. Boynton, W. Kozyrev, A. S. Rau, A. von Kienlin, A. Zhang, X. Connaughton, V. Yamaoka, K. Ohno, M. Ohmori, N. Feroci, M. Frontera, F. Guidorzi, C. Cline, T. Gehrels, N. Krimm, H. A. McTiernan, J. TI INVESTIGATION OF PRIMORDIAL BLACK HOLE BURSTS USING INTERPLANETARY NETWORK GAMMA-RAY BURSTS SO ASTROPHYSICAL JOURNAL LA English DT Article DE black hole physics; methods: observational ID 1ST 2 YEARS; SPECTRAL CATALOG; SHORT-DURATION; UPPER LIMITS; RATE-DENSITY; GIANT FLARE; SEARCH; EVAPORATION; EXPLOSIONS; BATSE AB The detection of a gamma-ray burst (GRB) in the solar neighborhood would have very important implications for GRB phenomenology. The leading theories for cosmological GRBs would not be able to explain such events. The final bursts of evaporating primordial black holes (PBHs), however, would be a natural explanation for local GRBs. We present a novel technique that can constrain the distance to GRBs using detections from widely separated, non-imaging spacecraft. This method can determine the actual distance to the burst if it is local. We applied this method to constrain distances to a sample of 36 short-duration GRBs detected by the Interplanetary Network (IPN) that show observational properties that are expected from PBH evaporations. These bursts have minimum possible distances in the 10(13)-10(18) cm (7-10(5) au) range, which are consistent with the expected PBH energetics and with a possible origin in the solar neighborhood, although none of the bursts can be unambiguously demonstrated to be local. Assuming that these bursts are real PBH events, we estimate lower limits on the PBH burst evaporation rate in the solar neighborhood. C1 [Ukwatta, T. N.] Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87545 USA. [Hurley, K.; McTiernan, J.] Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. [MacGibbon, J. H.] Univ North Florida, Dept Phys, Jacksonville, FL 32224 USA. [Svinkin, D. S.; Aptekar, R. L.; Golenetskii, S. V.; Frederiks, D. D.; Pal'shin, V. D.] Ioffe Phys Tech Inst, St Petersburg 194021, Russia. [Goldsten, J.] Johns Hopkins Univ, Appl Phys Lab, Johns Hopkins Rd, Laurel, MD 20723 USA. [Boynton, W.] Univ Arizona, Dept Planetary Sci, Tucson, AZ 85721 USA. [Kozyrev, A. S.] Space Res Inst, 84-32 Profsoyuznaya, Moscow 117997, Russia. [Rau, A.; von Kienlin, A.; Zhang, X.] Max Planck Inst Extraterr Phys, Giessenbachstr,Postfach 1312, D-85748 Garching, Germany. [Connaughton, V.] Univ Alabama Huntsville, NSSTC, 320 Sparkman Dr, Huntsville, AL 35805 USA. [Yamaoka, K.] Aoyama Gakuin Univ, Dept Math & Phys, 5-10-1 Fuchinobe, Sagamihara, Kanagawa 2298558, Japan. [Ohno, M.] Hiroshima Univ, Dept Phys, 1-3-1 Kagamiyama, Higashihiroshima, Hiroshima 7398526, Japan. [Ohmori, N.] Miyazaki Univ, Dept Appl Phys, 1-1 Gakuen Kibanadai Nishi, Miyazaki, Miyazaki 8892192, Japan. [Feroci, M.] IAPS Roma, INAF, Via Fosso Cavaliere 100, I-00133 Rome, Italy. [Frontera, F.; Guidorzi, C.] Univ Ferrara, Dept Phys & Earth Sci, Via Saragat 1, I-44122 Ferrara, Italy. [Cline, T.; Gehrels, N.] NASA, Goddard Space Flight Ctr, Code 661, Greenbelt, MD 20771 USA. [Krimm, H. A.] NASA, Goddard Space Flight Ctr, CRESST, USRA, Code 661, Greenbelt, MD 20771 USA. [Frontera, F.] INAF, Ist Astrofis Spaziale & Fis Cosm Bologna, Via Gobetti 101, I-40129 Bologna, Italy. [Krimm, H. A.] Univ Space Res Assoc, 10211 Wincopin Circle,Suite 500, Columbia, MD 21044 USA. RP Ukwatta, TN (reprint author), Los Alamos Natl Lab, Space & Remote Sensing ISR 2, Los Alamos, NM 87545 USA. EM tilan@lanl.gov FU NASA [NNX09AU03G, NNX10AU34G, NNX11AP96G, NNX13AP09G, NNG04GM50G, NNG06GE69G, NNX07AQ22G, NNX08AC90G, NNX08AX95G, NNX09AR28G, NNX08AN23G, NNX09AO97G, NNX12AD68G, NNX06AI36G, NNX08AB84G, NNX08AZ85G, NNX09AV61G, NNX10AR12G, NNX07AR71G, NAG5-3500]; JPL [1282043, Y503559, NNX12AE41G, NNX13AI54G, NNX15AE60G, NNX07AH52G, NAG5-13080, NAG5-7766, NAG5-9126, NAG5-10710, NNG06GI89G]; Laboratory Directed Research and Development program at the Los Alamos National Laboratory (LANL); Russian Space Agency contract and RFBR [15-02-00532, 13-02-12017-ofi-m] FX Support for the IPN was provided by NASA grants NNX09AU03G, NNX10AU34G, NNX11AP96G, and NNX13AP09G (Fermi); NNG04GM50G, NNG06GE69G, NNX07AQ22G, NNX08AC90G, NNX08AX95G, and NNX09AR28G (INTEGRAL); NNX08AN23G, NNX09AO97G, and NNX12AD68G (Swift); NNX06AI36G, NNX08AB84G, NNX08AZ85G, NNX09AV61G, and NNX10AR12G (Suzaku); NNX07AR71G (MESSENGER); NAG5-3500, and JPL Contracts 1282043 and Y503559 (Odyssey); NNX12AE41G, NNX13AI54G, and NNX15AE60G (ADA); NNX07AH52G (Konus); NAG5-13080 (RHESSI); NAG5-7766, NAG5-9126, and NAG5-10710, (BeppoSAX); and NNG06GI89G. T. N. U. acknowledges support from the Laboratory Directed Research and Development program at the Los Alamos National Laboratory (LANL). The Konus-Wind experiment is partially supported by a Russian Space Agency contract and RFBR grants 15-02-00532 and 13-02-12017-ofi-m. We also thank Jim Linnemann (MSU), Dan Stump (MSU), Brenda Dingus (LANL), and Pat Harding (LANL) for useful conversations on the analysis. NR 75 TC 0 Z9 0 U1 1 U2 1 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 JUL 20 PY 2016 VL 826 IS 1 AR 98 DI 10.3847/0004-637X/826/1/98 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DU1IU UT WOS:000381962200098 ER PT J AU Zirnstein, EJ Funsten, HO Heerikhuisen, J McComas, DJ Schwadron, NA Zank, GP AF Zirnstein, E. J. Funsten, H. O. Heerikhuisen, J. McComas, D. J. Schwadron, N. A. Zank, G. P. TI GEOMETRY AND CHARACTERISTICS OF THE HELIOSHEATH REVEALED IN THE FIRST FIVE YEARS OF INTERSTELLAR BOUNDARY EXPLORER OBSERVATIONS SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM: atoms; solar wind; Sun: heliosphere ID NEUTRAL ATOM FLUX; PICK-UP IONS; SOLAR-WIND; TERMINATION SHOCK; CHARGE-EXCHANGE; IBEX RIBBON; OUTER HELIOSHEATH; MAGNETIC-FIELD; GLOBAL HELIOSPHERE; VOYAGER 1 AB We investigate and interpret the geometry and characteristics of the inner heliosheath (IHS) plasma and their impact on the heliotail structure as observed in energetic neutral atom (ENA) maps acquired during the first 5 yr of Interstellar Boundary Explorer (IBEX) observations. In particular, IBEX observations of the heliotail reveal distinct, localized emission features (lobes) that provide a rich set of information about the properties and evolution of the heliosheath plasma downstream of the termination shock (TS). We analyze the geometry of the heliotail lobes and find that the plane intersecting the port and starboard heliotail lobe centers is similar to 6 degrees from the solar equatorial plane, and the plane intersecting the north and south heliotail lobe centers is similar to 90 degrees from the solar equatorial plane, both indicating strong correlation with the fast-slow solar wind asymmetry, and thus reflecting the structure of the IHS flow around the Sun. We also analyze the key parameters and processes that form and shape the port and starboard lobes, which are distinctly different from the north and south lobes. By comparing IBEX ENA observations with results from a simplistic flow model of the heliosphere and a multicomponent description for pickup ions (PUIs) in the IHS, we find that the port and starboard lobe formation is driven by a thin IHS, large nose-tail asymmetry of the distance to the TS (and consequently, a large nose-tail asymmetry of the relative abundance of PUIs at the TS) and the energy-dependent removal of PUIs by charge exchange in the IHS. C1 [Zirnstein, E. J.; McComas, D. J.; Schwadron, N. A.] Southwest Res Inst, San Antonio, TX 78228 USA. [Funsten, H. O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Heerikhuisen, J.; Zank, G. P.] Univ Alabama, Dept Space Sci, Huntsville, AL 35899 USA. [McComas, D. J.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. [McComas, D. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. [Schwadron, N. A.] Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. RP Zirnstein, EJ (reprint author), Southwest Res Inst, San Antonio, TX 78228 USA. EM ezirnstein@swri.edu OI Heerikhuisen, Jacob/0000-0001-7867-3633 FU NASA [NNX14AF43G, NNX14AJ53G, NNG05EC85C, A99132BT] FX This work was carried out as part of the IBEX mission, which is part of NASA's Explorer Program. Work at Los Alamos was performed under the auspices of the United States Department of Energy. J.H. acknowledges support from NASA grants NNX14AF43G and NNX14AJ53G. G.Z. acknowledges support from NASA grant NNX14AJ53G and SWRI/IBEX subcontract A99132BT under NASA grant NNG05EC85C. NR 75 TC 0 Z9 0 U1 0 U2 2 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 JUL 20 PY 2016 VL 826 IS 1 AR 58 DI 10.3847/0004-637X/826/1/58 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DU1IU UT WOS:000381962200058 ER PT J AU Timmers, H Sabbar, M Hellwagner, J Kobayashi, Y Neumark, DM Leone, SR AF Timmers, Henry Sabbar, Mazyar Hellwagner, Johannes Kobayashi, Yuki Neumark, Daniel M. Leone, Stephen R. TI Polarization-assisted amplitude gating as a route to tunable, high-contrast attosecond pulses SO OPTICA LA English DT Article ID HARMONIC-GENERATION AB Attosecond spectroscopy is a powerful technique for probing electron dynamics in fundamental systems. However, extending this method to cover a wide range of element-specific, core-hole transitions requires the availability of broadly tunable attosecond pulses. In this Letter, we present a new method for generating high-flux, high-contrast single attosecond pulses tunable across the range of 50-120 eV. The method is referred to as a Polarization ASSisted Amplitude GatE (PASSAGE) and uses a few-cycle driving pulse along with a partial polarization gate to extend the bandwidth of high harmonic emission in the temporally isolated, cut-off portion of the spectrum. The simplicity of this technique will help pave the way for implementing attosecond core-hole spectroscopy to probe more complex reactions and bring attosecond science into a multidisciplinary setting. (C) 2016 Optical Society of America C1 [Timmers, Henry; Sabbar, Mazyar; Hellwagner, Johannes; Kobayashi, Yuki; Neumark, Daniel M.; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Neumark, Daniel M.; Leone, Stephen R.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Leone, SR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Leone, SR (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA.; Leone, SR (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM htimmers@berkeley.edu; dneumark@berkeley.edu; srl@berkeley.edu RI Neumark, Daniel/B-9551-2009 OI Neumark, Daniel/0000-0002-3762-9473 FU Army Research Office (ARO) [W911NF-14-1-0383]; National Science Foundation (NSF) [CHE-1361226] FX Army Research Office (ARO) (W911NF-14-1-0383); National Science Foundation (NSF) (CHE-1361226). NR 23 TC 4 Z9 4 U1 3 U2 4 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2334-2536 J9 OPTICA JI Optica PD JUL 20 PY 2016 VL 3 IS 7 BP 707 EP 710 DI 10.1364/OPTICA.3.000707 PG 4 WC Optics SC Optics GA DT8JK UT WOS:000381736100008 ER PT J AU Wu, CZ Khanal, S Reno, JL Kumar, S AF Wu, Chongzhao Khanal, Sudeep Reno, John L. Kumar, Sushil TI Terahertz plasmonic laser radiating in an ultra-narrow beam SO OPTICA LA English DT Article ID QUANTUM-CASCADE LASERS; METAL WAVE-GUIDES; SEMICONDUCTOR-LASERS; NANOCAVITY ARRAYS; PHOTONIC-CRYSTAL; NANOLASER AB Plasmonic lasers (spasers) generate coherent surface plasmon polaritons (SPPs) and could be realized at subwavelength dimensions in metallic cavities for applications in nanoscale optics. Plasmonic cavities are also utilized for terahertz quantum-cascade lasers (QCLs), which are the brightest available solid-state sources of terahertz radiation. A long standing challenge for spasers that are utilized as nanoscale sources of radiation, is their poor coupling to the far-field radiation. Unlike conventional lasers that could produce directional beams, spasers have highly divergent radiation patterns due to their subwavelength apertures. Here, we theoretically and experimentally demonstrate a new technique for implementing distributed feedback (DFB) that is distinct from any other previously utilized DFB schemes for semiconductor lasers. The so-termed antenna-feedback scheme leads to single-mode operation in plasmonic lasers, couples the resonant SPP mode to a highly directional far-field radiation pattern, and integrates hybrid SPPs in surrounding medium into the operation of the DFB lasers. Experimentally, the antenna-feedback method, which does not require the phase matching to a well-defined effective index, is implemented for terahertz QCLs, and single-mode terahertz QCLs with a beam divergence as small as 4 degrees x 4 degrees are demonstrated, which is the narrowest beam reported for any terahertz QCL to date. Moreover, in contrast to a negligible radiative field in conventional photonic band-edge lasers, in which the periodicity follows the integer multiple of half-wavelengths inside the active medium, antenna-feedback breaks this integer limit for the first time and enhances the radiative field of the lasing mode. Terahertz lasers with narrow-beam emission will find applications for integrated as well as standoff terahertz spectroscopy and sensing. The antenna-feedback scheme is generally applicable to any plasmonic laser with a Fabry-Perot cavity irrespective of its operating wavelength and could bring plasmonic lasers closer to practical applications. (C) 2016 Optical Society of America C1 [Wu, Chongzhao; Khanal, Sudeep; Kumar, Sushil] Lehigh Univ, Dept Elect & Comp Engn, Bethlehem, PA 18015 USA. [Reno, John L.] Ctr Integrated Nanotechnol, Sandia Natl Labs, MS 1303, Albuquerque, NM 87185 USA. RP Kumar, S (reprint author), Lehigh Univ, Dept Elect & Comp Engn, Bethlehem, PA 18015 USA. EM chw310@lehigh.edu; sushil@lehigh.edu FU National Science Foundation (NSF) [ECCS 1128562, ECCS 1351142, CMMI 1437168] FX National Science Foundation (NSF) (ECCS 1128562, ECCS 1351142, CMMI 1437168). NR 39 TC 2 Z9 2 U1 20 U2 26 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 2334-2536 J9 OPTICA JI Optica PD JUL 20 PY 2016 VL 3 IS 7 BP 734 EP 740 DI 10.1364/OPTICA.3.000734 PG 7 WC Optics SC Optics GA DT8JK UT WOS:000381736100012 ER PT J AU Bullock, J Zheng, PT Jeangros, Q Tosun, M Hettick, M Sutter-Fella, CM Wan, Y Allen, T Yan, D Macdonald, D De Wolf, S Hessler-Wyser, A Cuevas, A Javey, A AF Bullock, James Zheng, Peiting Jeangros, Quentin Tosun, Mahmut Hettick, Mark Sutter-Fella, Carolin M. Wan, Yimao Allen, Thomas Yan, Di Macdonald, Daniel De Wolf, Stefaan Hessler-Wyser, Aicha Cuevas, Andres Javey, Ali TI Lithium Fluoride Based Electron Contacts for High Efficiency n-Type Crystalline Silicon Solar Cells SO ADVANCED ENERGY MATERIALS LA English DT Article ID INJECTION; DEVICES; METAL; INTERFACES; CATHODE AB Low-resistance contact to lightly doped n-type crystalline silicon (c-Si) has long been recognized as technologically challenging due to the pervasive Fermi-level pinning effect. This has hindered the development of certain devices such as n-type c-Si solar cells made with partial rear contacts (PRC) directly to the lowly doped c-Si wafer. Here, a simple and robust process is demonstrated for achieving m Omega cm(2) scale contact resistivities on lightly doped n-type c-Si via a lithium fluoride/aluminum contact. The realization of this low-resistance contact enables the fabrication of a first-of-its-kind high-efficiency n-type PRC solar cell. The electron contact of this cell is made to less than 1% of the rear surface area, reducing the impact of contact recombination and optical losses, permitting a power conversion efficiency of greater than 20% in the initial proof-of-concept stage. The implementation of the LiFx/Al contact mitigates the need for the costly high-temperature phosphorus diffusion, typically implemented in such a cell design to nullify the issue of Fermi level pinning at the electron contact. The timing of this demonstration is significant, given the ongoing transition from p-type to n-type c-Si solar cell architectures, together with the increased adoption of advanced PRC device structures within the c-Si photovoltaic industry. C1 [Bullock, James; Tosun, Mahmut; Hettick, Mark; Sutter-Fella, Carolin M.; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Bullock, James; Tosun, Mahmut; Hettick, Mark; Sutter-Fella, Carolin M.; Javey, Ali] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Bullock, James; Zheng, Peiting; Wan, Yimao; Allen, Thomas; Yan, Di; Macdonald, Daniel; Cuevas, Andres] Australian Natl Univ, Res Sch Engn, Canberra, ACT 0200, Australia. [Jeangros, Quentin; De Wolf, Stefaan; Hessler-Wyser, Aicha] EPFL, Inst Micro Engn IMT, Photovolta & Thin Film Elect Lab PVLab, Maladiere 71b, CH-200 Neuchatel, Switzerland. RP Javey, A (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA.; Javey, A (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Cuevas, A (reprint author), Australian Natl Univ, Res Sch Engn, Canberra, ACT 0200, Australia. EM andres.cuevas@anu.edu.au; ajavey@berkeley.edu RI Cuevas, Andres/K-3499-2014; OI Sutter-Fella, Carolin/0000-0002-7769-0869 FU Bay Area Photovoltaics Consortium (BAPVC); Australian Renewable Energy Agency (ARENA); Electronic Materials Programs; Office of Science, Office of Basic Energy Sciences, Material Sciences and Engineering Division of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231]; Office Federal de l'Energie (OFEN); Swiss National Science Foundation [P2EZP2_155586] FX J.B. and P.Z. contributed equally to this work. Device design, fabrication, and characterization were funded by the Bay Area Photovoltaics Consortium (BAPVC) and the Australian Renewable Energy Agency (ARENA). Materials characterization was supported by the Electronic Materials Programs, 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). 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. Work at EPFL was supported by the Office Federal de l'Energie (OFEN) and the Interdisciplinary Centre for Electron Microscopy (CIME) of EPFL is acknowledged for access to their electron microscopes. C.M.S.-F. acknowledges financial support from the Swiss National Science Foundation (P2EZP2_155586). NR 31 TC 1 Z9 1 U1 7 U2 12 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD JUL 20 PY 2016 VL 6 IS 14 AR 1600241 DI 10.1002/aenm.201600241 PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA DT7UR UT WOS:000381693700005 ER PT J AU He, HY Lin, JH Fu, W Wang, XL Wang, H Zeng, QS Gu, Q Li, YM Yan, C Tay, BK Xue, C Hu, X Pantelides, ST Zhou, W Liu, Z AF He, Haiyong Lin, Junhao Fu, Wei Wang, Xingli Wang, Hong Zeng, Qingsheng Gu, Quan Li, Yongmei Yan, Cheng Tay, Beng Kang Xue, Can Hu, Xiao Pantelides, Sokrates T. Zhou, Wu Liu, Zheng TI MoS2/TiO2 Edge-On Heterostructure for Efficient Photocatalytic Hydrogen Evolution SO ADVANCED ENERGY MATERIALS LA English DT Article ID TIO2 SINGLE-CRYSTALS; VISIBLE-LIGHT; H-2 EVOLUTION; MOS2; NANOPARTICLES; WATER; CATALYST; GRAPHENE; ANATASE; LAYERS C1 [He, Haiyong; Fu, Wei; Wang, Hong; Zeng, Qingsheng; Gu, Quan; Li, Yongmei; Yan, Cheng; Xue, Can; Hu, Xiao; Liu, Zheng] Nanyang Technol Univ, Sch Mat Sci & Engn, Ctr Programmed Ctr, 50 Nanyang Ave, Singapore 639798, Singapore. [Lin, Junhao; Pantelides, Sokrates T.; Zhou, Wu] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Lin, Junhao; Pantelides, Sokrates T.; Zhou, Wu] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Wang, Xingli; Tay, Beng Kang; Liu, Zheng] Nanyang Technol Univ, Sch Elect & Elect Engn, Nanoelect Ctr Excellence, NOVITAS, Singapore 639798, Singapore. [Liu, Zheng] Nanyang Technol Univ, Sch Mat Sci & Engn, Ctr Programmable Mat, 50 Nanyang Ave, Singapore 639798, Singapore. RP Liu, Z (reprint author), Nanyang Technol Univ, Sch Mat Sci & Engn, Ctr Programmed Ctr, 50 Nanyang Ave, Singapore 639798, Singapore.; Liu, Z (reprint author), Nanyang Technol Univ, Sch Elect & Elect Engn, Nanoelect Ctr Excellence, NOVITAS, Singapore 639798, Singapore.; Liu, Z (reprint author), Nanyang Technol Univ, Sch Mat Sci & Engn, Ctr Programmable Mat, 50 Nanyang Ave, Singapore 639798, Singapore. EM Z.Liu@ntu.edu.sg RI Xue, Can/A-2254-2011; Zhou, Wu/D-8526-2011; Lin, Junhao/D-7980-2015 OI Zhou, Wu/0000-0002-6803-1095; Lin, Junhao/0000-0002-2195-2823 FU National Research Foundation Singapore under NRF RF Award [NRF-RF2013-08]; Ministry of Education, Singapore [MOE2011-T2-2-147, MOE2011-T3-1-005]; U.S. DOE [DE-FG02-09ER46554]; U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division; ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility FX H.H. and J.L. contributed equally to this work. This work was supported by the National Research Foundation Singapore under NRF RF Award No. NRF-RF2013-08. This work was also supported by MOE2011-T2-2-147 and MOE2011-T3-1-005 from Ministry of Education, Singapore. Parts of the electron microscopy characterizations were carried out at the Center for Electron Microscopy of Zhejiang University. J.L. and S.T.P. thank the support from U.S. DOE grant DE-FG02-09ER46554. This research was supported in part by the U.S. Department of Energy, Office of Science, Basic Energy Science, Materials Sciences and Engineering Division (W.Z.), and through a user project at ORNL's Center for Nanophase Materials Sciences (CNMS), which is a DOE Office of Science User Facility. NR 35 TC 4 Z9 4 U1 61 U2 89 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD JUL 20 PY 2016 VL 6 IS 14 AR 1600464 DI 10.1002/aenm.201600464 PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA DT7UR UT WOS:000381693700012 ER PT J AU Pan, BF Huang, JH Feng, ZX Zeng, L He, MN Zhang, L Vaughey, JT Bedzyk, MJ Fenter, P Zhang, ZC Burrell, AK Liao, C AF Pan, Baofei Huang, Jinhua Feng, Zhenxing Zeng, Li He, Meinan Zhang, Lu Vaughey, John T. Bedzyk, Michael J. Fenter, Paul Zhang, Zhengcheng Burrell, Anthony K. Liao, Chen TI Polyanthraquinone-Based Organic Cathode for High-Performance Rechargeable Magnesium-Ion Batteries SO ADVANCED ENERGY MATERIALS LA English DT Article ID WIDE ELECTROCHEMICAL WINDOWS; ELECTROLYTE-SOLUTIONS; POSITIVE-ELECTRODE; STORAGE; 2,5-DIMETHOXY-1,4-BENZOQUINONE; SYSTEMS C1 [Pan, Baofei; Huang, Jinhua; Feng, Zhenxing; He, Meinan; Zhang, Lu; Vaughey, John T.; Fenter, Paul; Zhang, Zhengcheng; Burrell, Anthony K.; Liao, Chen] Argonne Natl Lab, Chem Sci & Engn Div, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA. [Zeng, Li; Bedzyk, Michael J.] Northwestern Univ, Dept Mat Sci & Engn, Appl Phys Program, Evanston, IL 60208 USA. [Zeng, Li; Bedzyk, Michael J.] Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA. RP Liao, C (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Joint Ctr Energy Storage Res, Lemont, IL 60439 USA. EM liaoc@anl.gov RI Bedzyk, Michael/B-7503-2009; OI Vaughey, John/0000-0002-2556-6129 FU Joint Center for Energy Storage Research, an Energy Innovation Hub - U.S. Department of Energy, Office of Science, Basic Energy Sciences; Argonne, a U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357]; Materials Research Science and Engineering Center (MRSEC) through National Science Foundation (NSF) [DMR-1121262] FX This work was supported as part of the Joint Center for Energy Storage Research, an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences. The submitted manuscript was created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (Argonne). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. This work made use of Northwestern University Central Facilities supported by the Materials Research Science and Engineering Center (MRSEC) through National Science Foundation (NSF) under Contract No. DMR-1121262. NR 39 TC 1 Z9 1 U1 54 U2 82 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD JUL 20 PY 2016 VL 6 IS 14 AR 1600140 DI 10.1002/aenm.201600140 PG 6 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA DT7UR UT WOS:000381693700004 ER PT J AU Shen, F Luo, W Dai, JQ Yao, YG Zhu, MW Hitz, E Tang, YF Chen, YF Sprenkle, VL Li, XL Hu, LB AF Shen, Fei Luo, Wei Dai, Jiaqi Yao, Yonggang Zhu, Mingwei Hitz, Emily Tang, Yuefeng Chen, Yanfeng Sprenkle, Vincent L. Li, Xiaolin Hu, Liangbing TI Ultra-Thick, Low-Tortuosity, and Mesoporous Wood Carbon Anode for High-Performance Sodium-Ion Batteries SO ADVANCED ENERGY MATERIALS LA English DT Article ID HIGH AREAL CAPACITY; ELECTROCHEMICAL ENERGY-STORAGE; CYCLE LIFE; LITHIUM; GRAPHENE; NANOFIBERS; ELECTRODES; DENSITY; FRAMEWORKS; INSERTION C1 [Shen, Fei; Luo, Wei; Dai, Jiaqi; Yao, Yonggang; Zhu, Mingwei; Hitz, Emily; Hu, Liangbing] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Shen, Fei; Zhu, Mingwei; Tang, Yuefeng; Chen, Yanfeng] Nanjing Univ, Coll Engn & Appl Sci, Dept Mat Sci & Engn, Nanjing 210093, Jiangsu, Peoples R China. [Sprenkle, Vincent L.; Li, Xiaolin] Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. RP Hu, LB (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA.; Li, XL (reprint author), Pacific Northwest Natl Lab, Energy & Environm Directorate, Richland, WA 99352 USA. EM xiaolin.li@pnnl.gov; binghu@umd.edu RI Luo, Wei/E-1582-2011; Hu, Liangbing/N-6660-2013 OI Luo, Wei/0000-0002-4019-4634; FU Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center - US Department of Energy, Office of Science, Basic Energy Sciences [DESC0001160]; US Department of Energy's (DOE's) Office of Electricity Delivery & Energy Reliability (OE) [57558]; China Scholarship Council (CSC) FX F.S. and W.L. contributed equally to this paper. This work was supported as part of the Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Basic Energy Sciences under Award number DESC0001160. X.L. acknowledges the US Department of Energy's (DOE's) Office of Electricity Delivery & Energy Reliability (OE) (under Contract No. 57558) for the support of cathode development and full cell demonstration. F.S. was financially supported by China Scholarship Council (CSC). NR 39 TC 5 Z9 5 U1 63 U2 91 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1614-6832 EI 1614-6840 J9 ADV ENERGY MATER JI Adv. Energy Mater. PD JUL 20 PY 2016 VL 6 IS 14 AR 1600377 DI 10.1002/aenm.201600377 PG 7 WC Chemistry, Physical; Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Energy & Fuels; Materials Science; Physics GA DT7UR UT WOS:000381693700006 ER PT J AU Connaughton, V Burns, E Goldstein, A Blackburn, L Briggs, MS Zhang, BB Camp, J Christensen, N Hui, CM Jenke, P Littenberg, T McEnery, JE Racusin, J Shawhan, P Singer, L Veitch, J Wilson-Hodge, CA Bhat, PN Bissaldi, E Cleveland, W Fitzpatrick, G Giles, MM Gibby, MH von Kienlin, A Kippen, RM McBreen, S Mailyan, B Meegan, CA Paciesas, WS Preece, RD Roberts, OJ Sparke, L Stanbro, M Toelge, K Veres, P AF Connaughton, V. Burns, E. Goldstein, A. Blackburn, L. Briggs, M. S. Zhang, B. -B. Camp, J. Christensen, N. Hui, C. M. Jenke, P. Littenberg, T. McEnery, J. E. Racusin, J. Shawhan, P. Singer, L. Veitch, J. Wilson-Hodge, C. A. Bhat, P. N. Bissaldi, E. Cleveland, W. Fitzpatrick, G. Giles, M. M. Gibby, M. H. von Kienlin, A. Kippen, R. M. McBreen, S. Mailyan, B. Meegan, C. A. Paciesas, W. S. Preece, R. D. Roberts, O. J. Sparke, L. Stanbro, M. Toelge, K. Veres, P. TI FERMI GBM OBSERVATIONS OF LIGO GRAVITATIONAL-WAVE EVENT GW150914 SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE gamma-ray burst: general; gravitational waves ID GAMMA-RAY BURSTS; COMPACT OBJECT MERGERS; ELECTROMAGNETIC COUNTERPARTS; VIRGO; BATSE; CATALOG; MONITOR; GRBS; ERA AB With an instantaneous view of 70% of the sky, the Fermi Gamma-ray Burst Monitor (GBM) is an excellent partner in the search for electromagnetic counterparts to gravitational-wave (GW) events. GBM observations at the time of the Laser Interferometer Gravitational-wave Observatory (LIGO) event GW150914 reveal the presence of a weak transient above 50 keV, 0.4 s after the GW event, with a false-alarm probability of 0.0022 (2.9 sigma). This weak transient lasting 1 s was not detected by any other instrument and does not appear to be connected with other previously known astrophysical, solar, terrestrial, or magnetospheric activity. Its localization is ill-constrained but consistent with the direction of GW150914. The duration and spectrum of the transient event are consistent with a weak short gamma-ray burst (GRB) arriving at a large angle to the direction in which Fermi was pointing where the GBM detector response is not optimal. If the GBM transient is associated with GW150914, then this electromagnetic signal from a stellar mass black hole binary merger is unexpected. We calculate a luminosity in hard X-ray emission between 1 keV and 10 MeV of 1.8(-1.0)(+1.5) x 10(49) erg s(-1). Future joint observations of GW events by LIGO/Virgo and Fermi GBM could reveal whether the weak transient reported here is a plausible counterpart to GW150914 or a chance coincidence, and will further probe the connection between compact binary mergers and short GRBs. C1 [Connaughton, V.; Littenberg, T.; Cleveland, W.; Paciesas, W. S.] Univ Space Res Assoc, 320 Sparkman Dr, Huntsville, AL 35806 USA. [Burns, E.] Univ Alabama, Dept Phys, 320 Sparkman Dr, Huntsville, AL 35805 USA. [Goldstein, A.; Hui, C. M.; Wilson-Hodge, C. A.] NASA, Marshall Space Flight Ctr, Astrophys Off, ZP12, Huntsville, AL 35812 USA. [Blackburn, L.] Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. [Blackburn, L.] MIT, LIGO, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Briggs, M. S.; Preece, R. D.; Stanbro, M.] Univ Alabama, Dept Space Sci, 320 Sparkman Dr, Huntsville, AL 35805 USA. [Briggs, M. S.; Zhang, B. -B.; Jenke, P.; Bhat, P. N.; Fitzpatrick, G.; Mailyan, B.; Meegan, C. A.; Veres, P.] Univ Alabama, CSPAR, 320 Sparkman Dr, Huntsville, AL 35805 USA. [Zhang, B. -B.] IAA CSIC, POB 03004, E-18080 Granada, Spain. [Camp, J.; McEnery, J. E.; Racusin, J.; Singer, L.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Christensen, N.] Carleton Coll, Phys & Astron, Northfield, MN 55057 USA. [Shawhan, P.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [Veitch, J.] Univ Birmingham, Birmingham B15 2TT, W Midlands, England. [Bissaldi, E.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Bissaldi, E.; Toelge, K.] Politecn Bari, Dipartimento Fis, I-70125 Bari, Italy. [Giles, M. M.; Gibby, M. H.] Jacobs Technol Inc, Huntsville, AL USA. [von Kienlin, A.] Max Planck Inst Extraterr Phys, Giessenbachstr 1, D-85748 Garching, Germany. [Kippen, R. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [McBreen, S.; Roberts, O. J.] Univ Coll Dublin, Sch Phys, Stillorgan Rd, Dublin 4, Ireland. [Sparke, L.] NASA Headquarters, Washington, DC USA. RP Connaughton, V (reprint author), Univ Space Res Assoc, 320 Sparkman Dr, Huntsville, AL 35806 USA. EM valerie@nasa.gov RI Roberts, Oliver/N-6284-2016 OI Roberts, Oliver/0000-0002-7150-9061 NR 56 TC 44 Z9 44 U1 4 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD JUL 20 PY 2016 VL 826 IS 1 AR L6 DI 10.3847/2041-8205/826/1/L6 PG 19 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DS4GL UT WOS:000380739300006 ER PT J AU El-Batal, AM Miller, JM Reynolds, MT Boggs, SE Chistensen, FE Craig, WW Fuerst, F Hailey, CJ Harrison, FA Stern, DK Tomsick, J Walton, DJ Zhang, WW AF El-Batal, A. M. Miller, J. M. Reynolds, M. T. Boggs, S. E. Chistensen, F. E. Craig, W. W. Fuerst, F. Hailey, C. J. Harrison, F. A. Stern, D. K. Tomsick, J. Walton, D. J. Zhang, W. W. TI NuSTAR OBSERVATIONS OF THE BLACK HOLE GS 1354-645: EVIDENCE OF RAPID BLACK HOLE SPIN SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE accretion, accretion disks; black hole physics; X-rays: binaries ID INNER ACCRETION FLOW; HARD-STATE; REFLECTION; DISK; SPECTROSCOPY; OUTBURST; CONSTRAINTS; BINARIES; SPECTRA; SWIFT AB We present the results of a NuSTAR study of the dynamically confirmed stellar-mass black hole GS 1354-645. The source was observed during its 2015 "hard" state outburst; we concentrate on spectra from two relatively bright phases. In the higher-flux observation, the broadband NuSTAR spectra reveal a clear, strong disk reflection spectrum, blurred by a degree that requires a black hole spin of a = cf/GM(2) >= 0.98 (1 sigma statistical limits only). The fits also require a high inclination: 0 similar or equal to 75 (2)degrees. Strong "dips" are sometimes observed in the X-ray light curves of sources viewed at such an angle; these are absent, perhaps indicating that dips correspond to flared disk structures that only manifest at higher accretion rates. In the lower flux observation, there is evidence of radial truncation of the thin accretion disk. We discuss these results in the context of spin in stellar-mass black holes, and inner accretion flow geometries at moderate accretion rates. C1 [El-Batal, A. M.; Miller, J. M.; Reynolds, M. T.] Univ Michigan, Dept Astron, 1085 S Univ Ave, Ann Arbor, MI 48109 USA. [Boggs, S. E.; Craig, W. W.; Tomsick, J.] Univ Calif Berkeley, Space Sci Lab, 7 Gauss Way, Berkeley, CA 94720 USA. [Chistensen, F. E.] Danish Tech Univ, Lungby, Denmark. [Craig, W. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Fuerst, F.; Harrison, F. A.] CALTECH, Cahill Ctr Astron & Astrophys, 1200 East Calif Blvd, Pasadena, CA 91125 USA. [Hailey, C. J.] Columbia Univ, Columbia Astrophys Lab, 550 West 120th St, New York, NY 10027 USA. [Hailey, C. J.] Columbia Univ, Dept Astron, 550 West 120th St, New York, NY 10027 USA. [Stern, D. K.] CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. [Zhang, W. W.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RP Miller, JM (reprint author), Univ Michigan, Dept Astron, 1085 S Univ Ave, Ann Arbor, MI 48109 USA. EM jonmm@umich.edu FU NASA [NNG08FD60C]; NASA FX We thank the anonymous referee for comments that improved this manuscript. This work was supported under NASA contract No. NNG08FD60C, and made use of data from the NuSTAR mission, a project led by the California Institute of Technology, managed by the Jet Propulsion Laboratory, and funded by NASA. NR 40 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 EI 2041-8213 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD JUL 20 PY 2016 VL 826 IS 1 AR L12 DI 10.3847/2041-8205/826/1/L12 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA DS4GL UT WOS:000380739300012 ER PT J AU Wang, WY Wu, K Liu, PL Li, L Yang, YQ Wang, Y AF Wang, Weiyan Wu, Kui Liu, Pengli Li, Lu Yang, Yunquan Wang, Yong TI Hydrodeoxygenation of p-Cresol over Pt/Al2O3 Catalyst Promoted by ZrO2, CeO2, and CeO2-ZrO2 SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article; Proceedings Paper CT 250th National Meeting and Exposition of the American-Chemical-Society (ACS) CY AUG 16-20, 2015 CL Boston, MA SP Amer Chem Soc, Div Catalysis Sci & Technol ID AQUEOUS-PHASE HYDRODEOXYGENATION; BIO-OIL; LIGNIN; OXIDATION; GUAIACOL; MODEL; ACID; NANOPARTICLES; PERFORMANCE; MECHANISM AB ZrO2-Al2O3 and CeO2 Al2O3 were prepared by a co-precipitation method and selected as supports for Pt catalysts. The effects of CeO2 and ZrO2 on the surface area and Bronsted acidity of Pt/Al2O3 were studied. In the hydrodeoxygenation (HDO) of p-cresol, the addition of ZrO2 promoted the direct deoxygenation activity on Pt/ZrO2-Al2O3 via C-aromatic-O bond scission without benzene ring saturation. Pt/CeO2-Al2O3 exhibited higher deoxygenation extent than Pt/Al2O3 due to the fact that Bronsted acid sites on the catalyst surface favored the adsorption of p-cresol. With the advantages of CeO2 and ZrO2 taken into consideration, CeO2-ZrO2-Al2O3 was prepared, leading to the highest HDO activity of Pt/CeO2-ZrO2-Al2O3. The deoxygenation extent for Pt/CeO2-ZrO2-Al2O3 was 48.4% and 14.5% higher than that for Pt/ZrO2-Al2O3 and Pt/CeO2-Al2O3, respectively. C1 [Wang, Weiyan; Wu, Kui; Liu, Pengli; Li, Lu; Yang, Yunquan] Xiangtan Univ, Sch Chem Engn, Xiangtan 411105, Hunan, Peoples R China. [Wang, Weiyan; Wang, Yong] Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA. [Wang, Yong] Pacific Northwest Natl Lab, POB 999,902 Battelle Blvd, Richland, WA 99352 USA. RP Yang, YQ (reprint author), Xiangtan Univ, Sch Chem Engn, Xiangtan 411105, Hunan, Peoples R China.; Wang, Y (reprint author), Washington State Univ, Voiland Sch Chem Engn & Bioengn, Pullman, WA 99163 USA.; Wang, Y (reprint author), Pacific Northwest Natl Lab, POB 999,902 Battelle Blvd, Richland, WA 99352 USA. EM yangyunquan@xtu.edu.cn; Yong.Wang@pnnl.gov NR 48 TC 0 Z9 0 U1 15 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD JUL 20 PY 2016 VL 55 IS 28 BP 7598 EP 7603 DI 10.1021/acs.iecr.6b00515 PG 6 WC Engineering, Chemical SC Engineering GA DS0OE UT WOS:000380295800004 ER PT J AU Czech, B Lamprou, L McCandlish, S Sully, J AF Czech, Bartlomiej Lamprou, Lampros McCandlish, Samuel Sully, James TI Tensor networks from kinematic space SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE AdS-CFT Correspondence; Gauge-gravity correspondence ID RENORMALIZATION-GROUP; ENTROPY AB We point out that the MERA network for the ground state of a 1+1-dimensional conformal field theory has the same structural features as kinematic space - the geometry of CFT intervals. In holographic theories kinematic space becomes identified with the space of bulk geodesics studied in integral geometry. We argue that in these settings MERA is best viewed as a discretization of the space of bulk geodesics rather than of the bulk geometry itself. As a test of this kinematic proposal, we compare the MERA representation of the thermo field-double state with the space of geodesics in the two-sided BTZ geometry, obtaining a detailed agreement which includes the entwinement sector. We discuss how the kinematic proposal can be extended to excited states by generalizing MERA to a broader class of compression networks. C1 [Czech, Bartlomiej; Lamprou, Lampros; McCandlish, Samuel] Stanford Univ, Stanford Inst Theoret Phys, Dept Phys, Stanford, CA 94305 USA. [Sully, James] Stanford Univ, SLAC, Menlo Pk, CA 94025 USA. RP Czech, B (reprint author), Stanford Univ, Stanford Inst Theoret Phys, Dept Phys, Stanford, CA 94305 USA. EM czech@stanford.edu; llamprou@stanford.edu; samsamoa@stanford.edu; jsully@slac.stanford.edu FU National Science Foundation [NSF PHY11-25915]; Government of Canada through Industry Canada; Province of Ontario through the Ministry of Research and Innovation; Department of Energy (DOE) Office of Science Graduate Fellowship Program FX We thank Glen Evenbly, Patrick Hayden, Esperanza Lopez, Don Marolf, Rob Myers, John Preskill, Xiao-Liang Qi, Joan Simon, Leonard Susskind, Brian Swingle and Guifre Vidal for useful discussions. BC, SM and JS thank Caltech, BC thanks the University of Amsterdam and the University of Edinburgh, and JS thanks Princeton University for hospitality. BC thanks the organizers of "Holographic duality for condensed matter physics" and KITPCCAS in Beijing. We all thank the organizers of "Quantum Gravity Foundations: UV to IR," "Closing the Entanglement Gap: Quantum Information, Quantum Matter and Quantum Fields," and the Follow-On Program held at KITP (supported in part by the National Science Foundation under Grant No. NSF PHY11-25915), and of "Quantum Information Theory in Quantum Gravity II" meeting held at the Perimeter Institute for Theoretical Physics (supported by the Government of Canada through Industry Canada and by the Province of Ontario through the Ministry of Research and Innovation). BC and JS thank the organizers of the workshop "AdS/CFT and Quantum Gravity" at Centre de Recherches Mathematiques at the University of Montreal. SM was supported in part by an award from the Department of Energy (DOE) Office of Science Graduate Fellowship Program. NR 82 TC 8 Z9 8 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD JUL 20 PY 2016 IS 7 AR 100 DI 10.1007/JHEP07(2016)100 PG 38 WC Physics, Particles & Fields SC Physics GA DR8SW UT WOS:000380168600005 ER PT J AU Henderson, MA Mu, RT Dahal, A Lyubinetsky, I Dohnalek, Z Glezakou, VA Rousseau, R AF Henderson, Michael A. Mu, Rentao Dahal, Arjun Lyubinetsky, Igor Dohnalek, Zdenek Glezakou, Vassiliki-Alexandra Rousseau, Roger TI Light Makes a Surface Banana-Bond Split: Photodesorption of Molecular Hydrogen from RuO2(110) SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID COORDINATION CHEMISTRY; WATER; PHOTOCATALYST; COMPLEXES; H-2; DIHYDROGEN; KINETICS AB The coordination of H-2 to a metal center via polarization of its sigma bond electron density, known as a Kubas complex, is the means by which H-2 chemisorbs at Ru4+ sites on the rutile RuO2(110) surface. This distortion of electron density off an interatomic axis is often described as a 'banana-bond.' We show that the Ru-H-2 banana-bond can be destabilized and split using visible light. Photodesorption of H-2 (or D-2) is evident by mass spectrometry and scanning tunneling microscopy. From time-dependent density functional theory, the key optical excitation splitting the Ru-H-2 complex involves an interband transition in RuO2 which effectively diminishes its Lewis acidity, thereby weakening the Kubas complex. Such excitations are not expected to affect adsorbates on RuO2 given its metallic properties. Therefore, this common thermal cocatalyst employed in photo catalysis is, itself, photoactive. C1 [Henderson, Michael A.; Mu, Rentao; Dahal, Arjun; Lyubinetsky, Igor; Dohnalek, Zdenek; Glezakou, Vassiliki-Alexandra; Rousseau, Roger] Pacific Northwest Natl Lab, Div Phys Sci, Phys & Computat Sci Directorate, Richland, WA 99352 USA. [Mu, Rentao] Tianjin Univ, Sch Chem Engn & Technol, Collaborat Innovat Ctr Chem Sci & Engn, Key Lab Green Chem Technol,Minist Educ, Tianjin 300072, Peoples R China. RP Henderson, MA; Rousseau, R (reprint author), Pacific Northwest Natl Lab, Div Phys Sci, Phys & Computat Sci Directorate, Richland, WA 99352 USA. EM ma.henderson@pnnl.gov; roger.rousseau@pnnl.gov RI Rousseau, Roger/C-3703-2014 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences Biosciences; Department of Energy's Office of Biological and Environmental Research 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 & Biosciences and performed in EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multiprogram national laboratory operated for DOE by Battelle. NR 32 TC 1 Z9 1 U1 16 U2 27 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 20 PY 2016 VL 138 IS 28 BP 8714 EP 8717 DI 10.1021/jacs.6b05083 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DS0OC UT WOS:000380295600014 PM 27390889 ER PT J AU Shelby, ML Lestrange, PJ Jackson, NE Haldrup, K Mara, MW Stickrath, AB Zhu, DL Lemke, HT Chollet, M Hoffman, BM Li, XS Chen, LX AF Shelby, Megan L. Lestrange, Patrick J. Jackson, Nicholas E. Haldrup, Kristoffer Mara, Michael W. Stickrath, Andrew B. Zhu, Diling Lemke, Henrik T. Chollet, Matthieu Hoffman, Brian M. Li, Xiaosong Chen, Lin X. TI Ultrafast Excited State Relaxation of a Metalloporphyrin Revealed by Femtosecond X-ray Absorption Spectroscopy SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID DENSITY-FUNCTIONAL CALCULATIONS; NONPLANAR NICKEL PORPHYRINS; FREE-ELECTRON LASER; K-EDGE; PHOTOEXCITED METALLOPORPHYRIN; RAMAN-SPECTROSCOPY; OXIDATION-STATE; ENERGY-TRANSFER; AXIAL LIGATION; BASIS-SET AB Photoexcited Nickel(II) tetramesitylporphyrin (NiTMP), like many open-shell metalloporphyrins, relaxes rapidly through multiple electronic states following an initial porphyrin-based excitation, some involving metal centered electronic configuration changes that could be harnessed catalytically before excited state relaxation. While a NiTMP excited state present at 100 ps was previously identified by X-ray transient absorption (XTA) spectroscopy at a synchrotron source as a relaxed (d,d) state, the lowest energy excited state (J. Am. Chem. Soc., 2007, 129, 9616 and Chem. Sci., 2010, 1, 642), structural dynamics before thermalization were not resolved due to the similar to 100 ps duration of the available X-ray probe pulse. Using the femtosecond (fs) X-ray pulses of the Linac Coherent Light Source (LCLS), the Ni center electronic configuration from the initial excited state to the relaxed (d,d) state has been obtained via ultrafast Ni K-edge XANES (X-ray absorption near edge structure) on a time scale from hundreds of femtoseconds to 100 ps. This enabled the identification of a short-lived Ni(I) species aided by time-dependent density functional theory (TDDFT) methods. Computed electronic and nuclear structure for critical excited electronic states in the relaxation pathway characterize the dependence of the complex's geometry on the electron occupation of the 3d orbitals. Calculated XANES transitions for these excited states assign a short-lived transient signal to the spectroscopic signature of the Ni(I) species, resulting from intramolecular charge transfer on a time scale that has eluded previous synchrotron studies. These combined results enable us to examine the excited state structural dynamics of NiTMP prior to thermal relaxation and to capture intermediates of potential photocatalytic significance. C1 [Shelby, Megan L.; Mara, Michael W.; Stickrath, Andrew B.; Chen, Lin X.] Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA. [Shelby, Megan L.; Jackson, Nicholas E.; Mara, Michael W.; Hoffman, Brian M.; Chen, Lin X.] Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. [Lestrange, Patrick J.; Li, Xiaosong] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Haldrup, Kristoffer] Tech Univ Denmark, Phys Dept, DK-2800 Lyngby, Denmark. [Zhu, Diling; Lemke, Henrik T.; Chollet, Matthieu] SLAC Natl Lab, LCLS, Menlo Pk, CA 94025 USA. [Mara, Michael W.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Stickrath, Andrew B.] Booz Allen Hamilton, 3811 North Fairfax Dr,Suite 600, Arlington, VA 22203 USA. [Lemke, Henrik T.] Paul Scherrer Inst, SwissFEL, CH-5232 Villigen, Switzerland. [Jackson, Nicholas E.] Univ Chicago, Inst Mol Engn, Chicago, IL 60637 USA. RP Chen, LX (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, Lemont, IL 60439 USA.; Hoffman, BM; Chen, LX (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA.; Li, XS (reprint author), Univ Washington, Dept Chem, Seattle, WA 98195 USA. EM lchen@anl.gov RI Lemke, Henrik Till/N-7419-2016; Haldrup, Kristoffer/J-6875-2013 OI Lemke, Henrik Till/0000-0003-1577-8643; Haldrup, Kristoffer/0000-0002-0565-6397 FU Solar Energy Photochemistry program; Ultrafast Initiative of the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences through Argonne National Laboratory [DE-AC02-06CH11357]; National Institute of Health [R01-GM115761, R01-HL63203]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-76SF00515]; Student Technology Fee; State of Washington through the University of Washington Clean Energy Institute; National Institute of General Medical Sciences of NIH [5T32 GM008382]; DANSCATT; Villum Foundation; Carlsberg Foundation FX We acknowledge support for this work from the Solar Energy Photochemistry program (experimental work) and Ultrafast Initiative (theoretical work) of the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, through Argonne National Laboratory under Contract No. DE-AC02-06CH11357 and MLS is supported by the National Institute of Health, under Contract No. R01-GM115761 (LXC) and R01-HL63203 (BMH). Use of the Linac Coherent Light Source (LCLS), 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. Computations on modeled spectra were facilitated through the use of advanced computational, storage, and networking infrastructure provided by the Hyak supercomputer system at the University of Washington, funded by the Student Technology Fee. PJL is also grateful for support by the State of Washington through the University of Washington Clean Energy Institute. MLS also thanks the National Institute of General Medical Sciences of NIH for support through the Molecular Biophysics training grant administered by Northwestern University (5T32 GM008382). KH gratefully acknowledges support from DANSCATT and from the Villum and Carlsberg Foundations. The authors would like to thank Tim Brandt Van Driel for invaluable assistance with the phase cavity timing correction by providing a means to calibrate the phase cavity data. NR 88 TC 2 Z9 2 U1 31 U2 53 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD JUL 20 PY 2016 VL 138 IS 28 BP 8752 EP 8764 DI 10.1021/jacs.6b02176 PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA DS0OC UT WOS:000380295600022 PM 27286410 ER PT J AU Arsene, IC Bearden, IG Beavis, D Bekele, S Besliu, C Budick, B Boggild, H Chasman, C Christensen, CH Christiansen, P Dalsgaard, HH Debbe, R Gaardhoje, JJ Hagel, K Ito, H Jipa, A Johnson, EB Jorgensen, CE Karabowicz, R Katrynska, N Kim, EJ Larsen, TM Lee, JH Lovhoiden, G Majka, Z Murray, MJ Natowitz, J Nielsen, BS Nygaard, C Pal, D Qviller, A Rami, F Ristea, C Ristea, O Rohrich, D Sanders, SJ Staszel, P Tveter, TS Videbaek, F Wada, R Yang, H Yin, Z Zgura, IS AF Arsene, I. C. Bearden, I. G. Beavis, D. Bekele, S. Besliu, C. Budick, B. Boggild, H. Chasman, C. Christensen, C. H. Christiansen, P. Dalsgaard, H. H. Debbe, R. Gaardhoje, J. J. Hagel, K. Ito, H. Jipa, A. Johnson, E. B. Jorgensen, C. E. Karabowicz, R. Katrynska, N. Kim, E. J. Larsen, T. M. Lee, J. H. Lovhoiden, G. Majka, Z. Murray, M. J. Natowitz, J. Nielsen, B. S. Nygaard, C. Pal, D. Qviller, A. Rami, F. Ristea, C. Ristea, O. Rohrich, D. Sanders, S. J. Staszel, P. Tveter, T. S. Videbaek, F. Wada, R. Yang, H. Yin, Z. Zgura, I. S. CA BRAHMS Collaboration TI Rapidity and centrality dependence of particle production for identified hadrons in Cu plus Cu collisions at root s(NN)=200 GeV SO PHYSICAL REVIEW C LA English DT Article ID TRANSVERSE-MOMENTUM DISTRIBUTIONS; AU COLLISIONS; CHARGED-PARTICLES; BRAHMS EXPERIMENT; PB COLLISIONS; COLLABORATION; PION; DETECTOR; PROTONS; QUARK AB The BRAHMS collaboration has measured transverse momentum spectra of pions, kaons, protons, and antiprotons at rapidities 0 and 3 for Cu+Cu collisions at root s(NN) = 200 GeV. As the collisions become more central the collective radial flow increases while the temperature of kinetic freeze-out decreases. The temperature is lower and the radial flow weaker at forward rapidity. Pion and kaon yields with transverse momenta between 1.5 and 2.5 GeV/c are suppressed for central collisions relative to scaled p + p collisions. This suppression, which increases as the collisions become more central, is consistent with jet quenching models and is also present with comparable magnitude at forward rapidity. At such rapidities, initial state effects may also be present and persistence of the meson suppression to high rapidity may reflect a combination of jet quenching and nuclear shadowing. The ratio of protons to mesons increases as the collisions become more central and is largest at forward rapidities. C1 [Beavis, D.; Chasman, C.; Debbe, R.; Ito, H.; Lee, J. H.; Videbaek, F.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Rami, F.] CRNS, Inst Pluridisciplinaire Hubert Curien, IN2P3, F-67037 Strasbourg, France. [Rami, F.] Univ Strasbourg, F-67037 Strasbourg, France. [Ristea, C.; Zgura, I. S.] Inst Space Sci, RO-077125 Bucharest, Romania. [Karabowicz, R.; Katrynska, N.; Majka, Z.; Staszel, P.] Jagiellonian Univ, Smoluchowski Inst Phys, PL-30348 Krakow, Poland. [Budick, B.] NYU, Dept Phys, 4 Washington Pl, New York, NY 10003 USA. [Bearden, I. G.; Boggild, H.; Christensen, C. H.; Christiansen, P.; Dalsgaard, H. H.; Gaardhoje, J. J.; Jorgensen, C. E.; Larsen, T. M.; Nielsen, B. S.; Nygaard, C.] Univ Copenhagen, Niels Bohr Inst, Blegdamsvej 17, DK-2100 Copenhagen, Denmark. [Hagel, K.; Natowitz, J.; Wada, R.] Texas A&M Univ, Cyclotron Inst, College Stn, TX 77843 USA. [Rohrich, D.; Yang, H.; Yin, Z.] Univ Bergen, Dept Phys & Technol, N-5020 Bergen, Norway. [Besliu, C.; Jipa, A.; Jorgensen, C. E.; Ristea, O.] Univ Bucharest, Fac Phys, RO-077125 Bucharest, Romania. [Bekele, S.; Johnson, E. B.; Kim, E. J.; Murray, M. J.; Pal, D.; Sanders, S. J.] Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. [Arsene, I. C.; Lovhoiden, G.; Qviller, A.; Tveter, T. S.] Univ Oslo, Dept Phys, N-0316 Oslo, Norway. [Bekele, S.] Univ Akron, Dept Polymer Sci, Akron, OH 44325 USA. [Christiansen, P.] Lund Univ, Div Expt High Energy Phys, Lund, Sweden. [Johnson, E. B.] Radiat Monitoring Devices, Cambridge, MA USA. [Jorgensen, C. E.] Riso Natl Lab, Roskilde, Denmark. [Kim, E. J.] Chonbuk Natl Univ, Div Sci Educ, Jeonju 561756, South Korea. [Wada, R.] Chinese Acad Sci, Inst Modern Phys, Lanzhou, Peoples R China. [Yin, Z.] Huazhong Normal Univ, Wuhan, Peoples R China. RP Arsene, IC (reprint author), Univ Oslo, Dept Phys, N-0316 Oslo, Norway. FU Office of Nuclear Physics within the U.S. DOE Office of Science; Danish Natural Science Research Council; Carlsberg Foundation; Danish National Research Foundation; Research Council of Norway; Polish State Committee for Scientific Research (KBN); Romanian Ministry of National Education and Scientific Research FX This work was supported by the Office of Nuclear Physics within the U.S. DOE Office of Science, the Danish Natural Science Research Council, the Carlsberg Foundation and the Danish National Research Foundation, the Research Council of Norway, the Polish State Committee for Scientific Research (KBN), and the Romanian Ministry of National Education and Scientific Research. NR 71 TC 0 Z9 0 U1 5 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9985 EI 2469-9993 J9 PHYS REV C JI Phys. Rev. C PD JUL 20 PY 2016 VL 94 IS 1 AR 014907 DI 10.1103/PhysRevC.94.014907 PG 14 WC Physics, Nuclear SC Physics GA DR7WC UT WOS:000380109400002 ER PT J AU Borda, EJL Cai, W de Koning, M AF Borda, Edgar Josue Landinez Cai, Wei de Koning, Maurice TI Dislocation Structure and Mobility in hcp He-4 SO PHYSICAL REVIEW LETTERS LA English DT Article ID ULTRASONIC-ATTENUATION; MOLECULAR-DYNAMICS; SOLID HELIUM; CRYSTALS AB Using path-integral Monte Carlo simulations, we assess the core structure and mobility of the screw and edge basal-plane dislocations in hcp He-4. Our findings provide key insights into recent interpretations of giant plasticity and mass flow junction experiments. First, both dislocations are dissociated into nonsuperfluid Shockley partial dislocations separated by ribbons of stacking fault, suggesting that they are unlikely to act as one-dimensional channels that may display Luttinger-liquid-like behavior. Second, the centroid positions of the partial cores are found to fluctuate substantially, even in the absence of applied shear stresses. This implies that the lattice resistance to motion of the partial dislocations is negligible, consistent with the recent experimental observations of giant plasticity. Further results indicate that both the structure of the partial cores and the zero-point fluctuations play a role in this extreme mobility. C1 [Borda, Edgar Josue Landinez] Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. [Cai, Wei] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [de Koning, Maurice] Univ Estadual Campinas, UNICAMP, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP, Brazil. RP Borda, EJL (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM landinezbord1@llnl.gov; caiwei@stanford.edu; dekoning@ifi.unicamp.br RI UNICAMP, CCES - /J-7787-2015; de Koning, Maurice/E-1115-2012 OI de Koning, Maurice/0000-0002-0035-4170 FU Brazilian agency CNPq; Brazilian agency Fapesp; Brazilian agency Capes; Center for Computational Engineering and Sciences, Fapesp/Cepid [2013/08293-7]; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-SC0010412]; U.S. Department of Energy at the Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX E. J. L. B. and M. K. gratefully acknowledge support from the Brazilian agencies CNPq, Fapesp, and Capes. M. K. acknowledges support from the Center for Computational Engineering and Sciences, Fapesp/Cepid Grant No. 2013/08293-7. This work was partially supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award No. DE-SC0010412 (W.C.). This work was supported in part by the U.S. Department of Energy at the Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 44 TC 1 Z9 1 U1 4 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 20 PY 2016 VL 117 IS 4 AR 045301 DI 10.1103/PhysRevLett.117.045301 PG 5 WC Physics, Multidisciplinary SC Physics GA DR8BG UT WOS:000380122800004 PM 27494477 ER PT J AU Li, J Pan, W Bernevig, BA Lutchyn, RM AF Li, Jian Pan, Wei Bernevig, B. Andrei Lutchyn, Roman M. TI Detection of Majorana Kramers Pairs Using a Quantum Point Contact SO PHYSICAL REVIEW LETTERS LA English DT Article ID BIAS CONDUCTANCE PEAK; TOPOLOGICAL SUPERCONDUCTOR; HYBRID DEVICE; NANOWIRE; FERMIONS; STATE; STATISTICS; SCATTERING; INSULATOR; SIGNATURE AB We propose a setup that integrates a quantum point contact (QPC) and a Josephson junction on a quantum spin Hall sample, experimentally realizable in InAs/GaSb quantum wells. The confinement due to both the QPC and the superconductor results in a Kramers pair of Majorana zero-energy bound states when the superconducting phases in the two arms differ by an odd multiple of p across the Josephson junction. We investigate the detection of these Majorana pairs with the integrated QPC, and find a robust switching from normal to Andreev scattering across the edges due to the presence of Majorana Kramers pairs. Such a switching of the current represents a qualitative signature where multiterminal differential conductances oscillate with alternating signs when the external magnetic field is tuned. We show that this qualitative signature is also present in current cross-correlations. Thus, the change of the backscattering current nature affects both conductance and shot noise, the measurement of which offers a significant advantage over quantitative signatures such as conductance quantization in realistic measurements. C1 [Li, Jian; Bernevig, B. Andrei] Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. [Pan, Wei] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Lutchyn, Roman M.] Microsoft Res, Stn Q, Santa Barbara, CA 93106 USA. RP Li, J (reprint author), Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. RI Li, Jian/B-8398-2011 OI Li, Jian/0000-0003-0297-6528 FU Swiss National Science Foundation; NSF CAREER [DMR-0952428]; DARPA under SPAWAR [N66001-11-1-4110]; Packard Foundation; Keck grant; NSF [PHY-1066293]; Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; [ONR-N00014-14-1-0330]; [MURI-130-6082] FX B.A.B. and J.L. acknowledge support from ONR-N00014-14-1-0330 and MURI-130-6082. J.L. acknowledges support from Swiss National Science Foundation. B.A.B. acknowledges support from NSF CAREER DMR-0952428, DARPA under SPAWAR Grant No. N66001-11-1-4110, the Packard Foundation, and the Keck grant. R.L. acknowledges the hospitality of the Aspen Center for Physics supported by NSF Grant No. PHY-1066293, where part of this work was done. The work at Sandia was supported by the Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. 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 No. DE-AC04-94AL85000. NR 69 TC 4 Z9 4 U1 12 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD JUL 20 PY 2016 VL 117 IS 4 AR 046804 DI 10.1103/PhysRevLett.117.046804 PG 6 WC Physics, Multidisciplinary SC Physics GA DR8BG UT WOS:000380122800008 PM 27494493 ER PT J AU Chen, SY Yu, LP Ren, JL Xie, X Li, XP Xu, Y Zhao, GF Li, PZ Yang, FQ Ren, Y Liaw, PK AF Chen, Shuying Yu, Liping Ren, Jingli Xie, Xie Li, Xueping Xu, Ying Zhao, Guangfeng Li, Peizhen Yang, Fuqian Ren, Yang Liaw, Peter K. TI Self-Similar Random Process and Chaotic Behavior In Serrated Flow of High Entropy Alloys SO SCIENTIFIC REPORTS LA English DT Article ID BULK METALLIC-GLASS; CRYOGENIC TEMPERATURES; MULTICOMPONENT ALLOYS; FATIGUE BEHAVIOR; TIME-SERIES; NANOINDENTATION; MICROSTRUCTURE; DEFORMATION; COMPLEXITY; DIMENSION AB The statistical and dynamic analyses of the serrated-flow behavior in the nanoindentation of a high-entropy alloy, Al0.5CoCrCuFeNi, at various holding times and temperatures, are performed to reveal the hidden order associated with the seemingly-irregular intermittent flow. Two distinct types of dynamics are identified in the high-entropy alloy, which are based on the chaotic time-series, approximate entropy, fractal dimension, and Hurst exponent. The dynamic plastic behavior at both room temperature and 200 degrees C exhibits a positive Lyapunov exponent, suggesting that the underlying dynamics is chaotic. The fractal dimension of the indentation depth increases with the increase of temperature, and there is an inflection at the holding time of 10 s at the same temperature. A large fractal dimension suggests the concurrent nucleation of a large number of slip bands. In particular, for the indentation with the holding time of 10 s at room temperature, the slip process evolves as a self-similar random process with a weak negative correlation similar to a random walk. C1 [Chen, Shuying; Xie, Xie; Liaw, Peter K.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Yu, Liping; Ren, Jingli; Li, Xueping; Xu, Ying] Zhengzhou Univ, Sch Math & Stat, Zhengzhou, Peoples R China. [Zhao, Guangfeng; Li, Peizhen; Yang, Fuqian] Univ Kentucky, Dept Chem & Mat Engn, Lexington, KY 40506 USA. [Ren, Yang] Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Liaw, PK (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA.; Ren, JL (reprint author), Zhengzhou Univ, Sch Math & Stat, Zhengzhou, Peoples R China. EM renjl@zzu.edu.cn; pliaw@utk.edu FU NSFC [11271339]; Plan for Scientific Innovation Talent of Henan Province [164200510011]; U.S. National Science Foundation [CMMI1100080]; US Department of Energy (DOE), Office of Fossil Energy, National Energy Technology Laboratory [DE-FE-0008855, DE-FE-0011194, DE-FE0024054]; U.S. Army Research Office [W911NF-13-1-0438]; [ZDGD13001] FX J.R. is very grateful for the support from the financial support from the NSFC (Grant No. 11271339), the Plan for Scientific Innovation Talent of Henan Province (164200510011) and the ZDGD13001Program. P.K.L. appreciates the financial support from the U.S. National Science Foundation (CMMI1100080). P.K.L. is very grateful for the support from the US Department of Energy (DOE), Office of Fossil Energy, National Energy Technology Laboratory (Grant No. DE-FE-0008855, No. DE-FE-0011194, and No. DE-FE0024054), and the U.S. Army Research Office (Grant No. W911NF-13-1-0438). NR 57 TC 0 Z9 0 U1 33 U2 59 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 20 PY 2016 VL 6 AR 29798 DI 10.1038/srep29798 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR7EH UT WOS:000380062300001 PM 27435922 ER PT J AU Colvin, RA Jin, QL Lai, B Kiedrowski, L AF Colvin, Robert A. Jin, Qiaoling Lai, Barry Kiedrowski, Lech TI Visualizing Metal Content and Intracellular Distribution in Primary Hippocampal Neurons with Synchrotron X-Ray Fluorescence SO PLOS ONE LA English DT Article ID PLASMA-MASS SPECTROMETRY; ALZHEIMERS-DISEASE; NEURODEGENERATIVE DISEASES; CORTICAL-NEURONS; DOPAMINERGIC-NEURONS; SYNAPTIC VESICLES; SUBSTANTIA-NIGRA; IRON-METABOLISM; NERVOUS-SYSTEM; ZINC AB Increasing evidence suggests that metal dyshomeostasis plays an important role in human neurodegenerative diseases. Although distinctive metal distributions are described for mature hippocampus and cortex, much less is known about metal levels and intracellular distribution in individual hippocampal neuronal somata. To solve this problem, we conducted quantitative metal analyses utilizing synchrotron radiation X-Ray fluorescence on frozen hydrated primary cultured neurons derived from rat embryonic cortex (CTX) and two regions of the hippocampus: dentate gyrus (DG) and CA1. Comparing average metal contents showed that the most abundant metals were calcium, iron, and zinc, whereas metals such as copper and manganese were less than 10% of zinc. Average metal contents were generally similar when compared across neurons cultured from CTX, DG, and CA1, except for manganese that was larger in CA1. However, each metal showed a characteristic spatial distribution in individual neuronal somata. Zinc was uniformly distributed throughout the cytosol, with no evidence for the existence of previously identified zinc-enriched organelles, zincosomes. Calcium showed a peri-nuclear distribution consistent with accumulation in endoplasmic reticulum and/or mitochondria. Iron showed 2-3 distinct highly concentrated puncta only in peri-nuclear locations. Notwithstanding the small sample size, these analyses demonstrate that primary cultured neurons show characteristic metal signatures. The iron puncta probably represent iron-accumulating organelles, siderosomes. Thus, the metal distributions observed in mature brain structures are likely the result of both intrinsic neuronal factors that control cellular metal content and extrinsic factors related to the synaptic organization, function, and contacts formed and maintained in each region. C1 [Colvin, Robert A.] Ohio Univ, Dept Biol Sci, Interdisciplinary Grad Program Mol & Cellular Bio, Neurosci Program, Athens, OH 45701 USA. [Jin, Qiaoling] Northwestern Univ, Dept Phys & Astron, Evanston, IL USA. [Lai, Barry] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Lemont, IL USA. [Kiedrowski, Lech] Univ Illinois, Dept Psychiat, Inst Psychiat, Chicago, IL 60612 USA. [Kiedrowski, Lech] Univ Illinois, Dept Pharmacol, Chicago, IL USA. RP Colvin, RA (reprint author), Ohio Univ, Dept Biol Sci, Interdisciplinary Grad Program Mol & Cellular Bio, Neurosci Program, Athens, OH 45701 USA. EM colvin@ohio.edu FU DOE Office of Science [DE-AC02-06CH11357]; National Institute of General Medical Sciences [1R01GM104530]; National Institutes of Health [1R21NS082786] FX This research used resources of the Advanced Photon Source (B.L.), 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. Q. J. was supported by the National Institute of General Medical Sciences under Grant 1R01GM104530 awarded to Chris Jacobsen at Argonne National Laboratory and Northwestern University. L. K. was supported by National Institutes of Health Grant 1R21NS082786. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.; 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. The authors wish to thank Benjamin A. Colvin for art work. NR 72 TC 1 Z9 1 U1 7 U2 7 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 19 PY 2016 VL 11 IS 7 AR e0159582 DI 10.1371/journal.pone.0159582 PG 17 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR8TG UT WOS:000380169600074 PM 27434052 ER PT J AU Waltman, PH Guo, J Reistetter, EN Purvine, S Ansong, CK van Baren, MJ Wong, CH Wei, CL Smith, RD Callister, SJ Stuart, JM Worden, AZ AF Waltman, Peter H. Guo, Jian Reistetter, Emily Nahas Purvine, Samuel Ansong, Charles K. van Baren, Marijke J. Wong, Chee-Hong Wei, Chia-Lin Smith, Richard D. Callister, Stephen J. Stuart, Joshua M. Worden, Alexandra Z. TI Identifying Aspects of the Post-Transcriptional Program Governing the Proteome of the Green Alga Micromonas pusilla SO PLOS ONE LA English DT Article ID MESSENGER-RNA DEGRADATION; AU-RICH ELEMENTS; SACCHAROMYCES-CEREVISIAE; INTEGRATIVE ANALYSIS; UNTRANSLATED REGION; CIRCADIAN-RHYTHMS; SOFTWARE PACKAGE; GENE-FUNCTION; LAND PLANTS; EXPRESSION AB Micromonas is a unicellular motile alga within the Prasinophyceae, a green algal group that is related to land plants. This picoeukaryote (<2 mu m diameter) is widespread in the marine environment but is not well understood at the cellular level. Here, we examine shifts in mRNA and protein expression over the course of the day-night cycle using triplicated mid-exponential, nutrient replete cultures of Micromonas pusilla CCMP1545. Samples were collected at key transition points during the diel cycle for evaluation using high-throughput LC-MS proteomics. In conjunction, matched mRNA samples from the same time points were sequenced using pair-ended directional Illumina RNA-Seq to investigate the dynamics and relationship between the mRNA and protein expression programs of M. pusilla. Similar to a prior study of the marine cyanobacterium Prochlorococcus, we found significant divergence in the mRNA and proteomics expression dynamics in response to the light: dark cycle. Additionally, expressional responses of genes and the proteins they encoded could also be variable within the same metabolic pathway, such as we observed in the oxygenic photosynthesis pathway. A regression framework was used to predict protein levels from both mRNA expression and gene-specific sequence-based features. Several features in the genome sequence were found to influence protein abundance including codon usage as well as 3' UTR length and structure. Collectively, our studies provide insights into the regulation of the proteome over a diel cycle as well as the relationships between transcriptional and translational programs in the widespread marine green alga Micromonas. C1 [Waltman, Peter H.; Stuart, Joshua M.] Univ Calif Santa Cruz, Baskin Sch Engn, Santa Cruz, CA 95064 USA. [Guo, Jian; Reistetter, Emily Nahas; van Baren, Marijke J.; Worden, Alexandra Z.] Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA. [Purvine, Samuel; Ansong, Charles K.; Smith, Richard D.; Callister, Stephen J.] Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA. [Wong, Chee-Hong; Wei, Chia-Lin] US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. [Worden, Alexandra Z.] Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA. [Worden, Alexandra Z.] Canadian Inst Adv Res, Integrated Microbial Biodivers Program, Toronto, ON M5G 1Z8, Canada. RP Stuart, JM (reprint author), Univ Calif Santa Cruz, Baskin Sch Engn, Santa Cruz, CA 95064 USA.; Worden, AZ (reprint author), Monterey Bay Aquarium Res Inst, Moss Landing, CA 95039 USA.; Callister, SJ (reprint author), Pacific Northwest Natl Lab, Div Biol Sci, Richland, WA 99352 USA.; Worden, AZ (reprint author), Univ Calif Santa Cruz, Dept Ocean Sci, Santa Cruz, CA 95064 USA.; Worden, AZ (reprint author), Canadian Inst Adv Res, Integrated Microbial Biodivers Program, Toronto, ON M5G 1Z8, Canada. EM stephen.callister@pnnl.gov; jstuart@ucsc.edu; azworden@mbari.org RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU DOE's Office of Biological and Environmental Research Pan-omics program; Environmental Molecular Sciences Laboratory located at Pacific Northwest National Laboratory for the DOE [DE-AC05-76RL01830]; David and Lucile Packard Foundation; U.S. DOE [DE-AC02-05CH11231]; U.S. Department of Energy (DOE) [DOE-DE-SC0004765]; GBMF Investigator Award [3788]; [NSF-IOS0843119] FX Partial support for this research was provided by the DOE's Office of Biological and Environmental Research Pan-omics program, and the Environmental Molecular Sciences Laboratory located at Pacific Northwest National Laboratory operated by Battelle for the DOE under contract DE-AC05-76RL01830. Additional funds came from the David and Lucile Packard Foundation, a GBMF Investigator Award (3788) and NSF-IOS0843119 to AZW and for JGI under U.S. DOE Contract No. DE-AC02-05CH11231. Major funds for this research collaboration were from grant DOE-DE-SC0004765 from the U.S. Department of Energy (DOE) to RDS, SJC, JMS and AZW. NR 93 TC 1 Z9 1 U1 6 U2 9 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 19 PY 2016 VL 11 IS 7 AR e0155839 DI 10.1371/journal.pone.0155839 PG 24 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR8TG UT WOS:000380169600002 PM 27434306 ER PT J AU Zeiner, CA Purvine, SO Zink, EM Pasa-Tolic, L Chaput, DL Haridas, S Wu, S LaButti, K Grigoriev, IV Henrissat, B Santelli, CM Hansel, CM AF Zeiner, Carolyn A. Purvine, Samuel O. Zink, Erika M. Pasa-Tolic, Ljiljana Chaput, Dominique L. Haridas, Sajeet Wu, Si LaButti, Kurt Grigoriev, Igor V. Henrissat, Bernard Santelli, Cara M. Hansel, Colleen M. TI Comparative Analysis of Secretome Profiles of Manganese(II)-Oxidizing Ascomycete Fungi SO PLOS ONE LA English DT Article ID BASIDIOMYCETE PHANEROCHAETE-CHRYSOSPORIUM; COAL-MINE DRAINAGE; ASPERGILLUS-NIGER; MN(II) OXIDATION; EXTRACELLULAR PROTEOME; MANGANESE PEROXIDASE; MASS-SPECTROMETRY; TREATMENT SYSTEMS; CELL-WALL; PROTEINS AB Fungal secretomes contain a wide range of hydrolytic and oxidative enzymes, including cellulases, hemicellulases, pectinases, and lignin-degrading accessory enzymes, that synergistically drive litter decomposition in the environment. While secretome studies of model organisms such as Phanerochaete chrysosporium and Aspergillus species have greatly expanded our knowledge of these enzymes, few have extended secretome characterization to environmental isolates or conducted side-by-side comparisons of diverse species. Thus, the mechanisms of carbon degradation by many ubiquitous soil fungi remain poorly understood. Here we use a combination of LC-MS/MS, genomic, and bioinformatic analyses to characterize and compare the protein composition of the secretomes of four recently isolated, cosmopolitan, Mn(II)-oxidizing Ascomycetes (Alternaria alternata SRC1lrK2f, Stagonospora sp. SRC1lsM3a, Pyrenochaeta sp. DS3sAY3a, and Paraconiothyrium sporulosum AP3s5-JAC2a). We demonstrate that the organisms produce a rich yet functionally similar suite of extracellular enzymes, with species-specific differences in secretome composition arising from unique amino acid sequences rather than overall protein function. Furthermore, we identify not only a wide range of carbohydrate-active enzymes that can directly oxidize recalcitrant carbon, but also an impressive suite of redox-active accessory enzymes that suggests a role for Fenton-based hydroxyl radical formation in indirect, non-specific lignocellulose attack. Our findings highlight the diverse oxidative capacity of these environmental isolates and enhance our understanding of the role of filamentous Ascomycetes in carbon turnover in the environment. C1 [Zeiner, Carolyn A.] Harvard Univ, Sch Engn & Appl Sci, Cambridge, MA 02138 USA. [Purvine, Samuel O.; Pasa-Tolic, Ljiljana; Wu, Si] Pacific Northwest Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Zink, Erika M.] Pacific Northwest Natl Lab, Biol Sci Lab, Richland, WA 99352 USA. [Chaput, Dominique L.] Smithsonian Inst, Dept Mineral Sci, Natl Museum Nat Hist, Washington, DC 20560 USA. [Haridas, Sajeet; LaButti, Kurt; Grigoriev, Igor V.] US DOE, Joint Genome Inst, Walnut Creek, CA USA. [Henrissat, Bernard] CNRS, Architecture & Fonct Macromol Biol, UMR7257, F-13288 Marseille 9, France. [Henrissat, Bernard] Aix Marseille Univ, F-13288 Marseille 9, France. [Henrissat, Bernard] King Abdulaziz Univ, Dept Biol Sci, POB 80203, Jeddah 21589, Saudi Arabia. [Santelli, Cara M.] Univ Minnesota, Dept Earth Sci, Minneapolis, MN USA. [Hansel, Colleen M.] Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. [Zeiner, Carolyn A.] Boston Univ, Dept Biol, 5 Cummington St, Boston, MA 02215 USA. [Wu, Si] Univ Oklahoma, Dept Chem & Biochem, Norman, OK 73019 USA. RP Hansel, CM (reprint author), Woods Hole Oceanog Inst, Dept Marine Chem & Geochem, Woods Hole, MA 02543 USA. EM chansel@whoi.edu RI Fac Sci, KAU, Biol Sci Dept/L-4228-2013; OI Santelli, Cara/0000-0001-8617-0008 FU National Science Foundation [EAR-1249489, CBET-1336496]; Office of Biological and Environmental Research [DE-AC02-05CH11231, DE-AC05-76RL01830]; Harvard University; Ford Foundation FX This work was supported by the National Science Foundation (www.nsf.gov), grant numbers EAR-1249489 and CBET-1336496, both awarded to CMH. Personal support for CAZ was also provided by Harvard University (www.harvard.edu) and by a Ford Foundation (www.fordfoundation.org) Predoctoral Fellowship administered by the National Academies. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.; This research was performed under the Facilities Integrating Collaborations for User Science (FICUS) exploratory effort and used resources at the DOE Joint Genome Institute and the Environmental Molecular Sciences Laboratory, which are DOE Office of Science User Facilities. Both facilities are sponsored by the Office of Biological and Environmental Research and operated under Contract Nos. DE-AC02-05CH11231 (JGI) and DE-AC05-76RL01830 (EMSL). Part of this research was performed at the Bauer Core Facility of the FAS Center for Systems Biology at Harvard University. A portion of the bioinformatics analysis was performed at Harvard's FAS Research Computing facility. NR 71 TC 0 Z9 0 U1 7 U2 9 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 1160 BATTERY STREET, STE 100, SAN FRANCISCO, CA 94111 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD JUL 19 PY 2016 VL 11 IS 7 AR e0157844 DI 10.1371/journal.pone.0157844 PG 28 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR8TG UT WOS:000380169600004 PM 27434633 ER PT J AU Wu, J Que, XL Hu, Q Luo, DY Liu, TH Liu, F Russell, TP Zhu, R Gong, QH AF Wu, Jiang Que, Xinglu Hu, Qin Luo, Deying Liu, Tanghao Liu, Feng Russell, Thomas P. Zhu, Rui Gong, Qihuang TI Multi-Length Scaled Silver Nanowire Grid for Application in Efficient Organic Solar Cells SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID TRANSPARENT CONDUCTORS; ELECTRODES; FABRICATION; DEVICES; FILM AB Transparent conducting electrodes (TCEs) with multi-length scaled structure are promising candidates as a potential replacement for indium tin oxide (ITO). In this work, multi-length scaled silver nanowire (AgNW) grids are demonstrated as TCEs for organic solar cells. The multi-length scale silver nanowire grids are prepared by top-down patterning using a neutral vapor etching process. Patterning AgNW film into multi-length scale grid structures could improve the optical transmittance and enhance the use of incident photons. Based on these multi-length scale AgNW grids, inverted bulk heterojunction polymer solar cells with power conversion efficiency up to 9.02% are fabricated, which are higher than that based on the original AgNW films and comparable to that based on ITO. C1 [Wu, Jiang; Que, Xinglu; Hu, Qin; Luo, Deying; Liu, Tanghao; Zhu, Rui; Gong, Qihuang] Peking Univ, Dept Phys, State Key Lab Artificial Microstruct & Mesoscop P, Beijing 100871, Peoples R China. [Hu, Qin; Zhu, Rui; Gong, Qihuang] Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China. [Hu, Qin; Liu, Feng; Russell, Thomas P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Russell, Thomas P.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Zhu, Rui; Gong, Qihuang] Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Peoples R China. RP Zhu, R (reprint author), Peking Univ, Dept Phys, State Key Lab Artificial Microstruct & Mesoscop P, Beijing 100871, Peoples R China.; Russell, TP (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA.; Russell, TP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. EM russell@mail.pse.umass.edu; iamzhurui@pku.edu.cn RI Zhu, Rui/E-7572-2010; Hu, Qin/N-3493-2014; Zhu, Rui/F-5244-2011; Liu, Feng/J-4361-2014 OI Zhu, Rui/0000-0001-7631-3589; Hu, Qin/0000-0003-3089-1070; Zhu, Rui/0000-0001-7631-3589; Liu, Feng/0000-0002-5572-8512 FU 973 Program of China [2015CB932203]; National Natural Science Foundation of China [61377025, 91433203, 11121091]; U.S. Office of Naval Research [N00014-15-1-2244]; Advanced Light Source Doctoral Fellowship in Residence at the Lawrence Berkeley National Laboratory FX This work was financially supported by the 973 Program of China (2015CB932203) and the National Natural Science Foundation of China (61377025, 91433203, and 11121091). F.L. and T.P.R. were supported by the U.S. Office of Naval Research under Contract No. N00014-15-1-2244. Q.H. also received support from the Advanced Light Source Doctoral Fellowship in Residence at the Lawrence Berkeley National Laboratory. The authors thank Prof. Xinqiang Wang and Mr. Guangbing Wang for the calibration of solar simulator, Prof. Lixin Xiao for optical transmittance measurements, and Prof. Bo Qu for sheet resistance measurements. R.Z. is grateful to Prof. Yang Yang and Prof. Paul S. Weiss at UCLA for providing the guide of sliver nanowire and solar energy research. NR 36 TC 2 Z9 2 U1 42 U2 55 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 19 PY 2016 VL 26 IS 27 BP 4822 EP 4828 DI 10.1002/adfm.201601049 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 DS6JR UT WOS:000380888600002 ER PT J AU Kusoglu, A Dursch, TJ Weber, AZ AF Kusoglu, Ahmet Dursch, Thomas J. Weber, Adam Z. TI Nanostructure/Swelling Relationships of Bulk and Thin-Film PFSA Ionomers SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID PERFLUOROSULFONIC ACID IONOMERS; FUEL-CELL APPLICATIONS; ANGLE X-RAY; PROTON-EXCHANGE MEMBRANES; ULTRATHIN NAFION FILMS; CATALYST LAYERS; POLYMER ELECTROLYTES; SURFACE-MORPHOLOGY; EQUIVALENT-WEIGHT; WATER-UPTAKE AB Perfluorinated sulfonic acid (PFSA) ionomers are the most widely used solid electrolyte in electrochemical technologies due to their remarkable ionic conductivity with simultanous mechanical stability, imparted by their phase-separated morphology. In this work, the morphology and swelling of PFSA ionomers (Nafion and 3M) as bulk membranes (>10 mu m) and dispersion-cast thin films (<100 nm) are investigated to identify the roles of equivalent weight (EW) and side-chain length across lengthscales. Humidity-dependent structural changes as well as different PFSA chemistries are explored in the thin-film regime, allowing for the development of thickness-EW phase diagrams. The ratio of macroscopic (thickness) to nanoscopic (domain spacing) swelling during hydration is found to be affine (1: 1) in thin films, but increases as the thickness approaches bulk values, revealing the existence of a mesoscale organization governing the multiscale swelling in PFSAs. Ionomer chemistry, in particular EW, is found to play a key role in altering the confinement-driven structural changes, including thin-film anisotropy, with phase separation becoming weaker as the film thickness is reduced below 25 nm or as EW is increased. For the lower-EW 3M PFSA ionomers, confinement appears to induce even stronger phase separation accompanied by domain alignment parallel to the substrate. C1 [Kusoglu, Ahmet; Dursch, Thomas J.; Weber, Adam Z.] Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. [Dursch, Thomas J.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Dursch, Thomas J.] MIT, Dept Chem Engn, Boston, MA 02139 USA. RP Kusoglu, A (reprint author), Lawrence Berkeley Natl Lab, Energy Storage & Distributed Resources Div, Berkeley, CA 94720 USA. EM akusoglu@lbl.gov OI Kusoglu, Ahmet/0000-0002-2761-1050 FU Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; Fuel Cell Performance and Durability Consortium (FC PAD) - Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, of the US Department of Energy [DE-AC02-05CH11231] FX Authors thank Steven Hamrock and Michael Yandrasits of 3M for providing ionomer membranes and solutions and also for helpful discussions. The authors also thank Meron Tesfaye, Julie Fornaciari, and Gabriel Sanoja of UC Berkeley for their help with the thin-film preparation, and Kyle Clark for water-uptake measurements. The authors also thank Kunal Karan (U of Calgary) as well as Douglas Kushner and Michael Hickner (PennState) for fruitful discussions on thin films. The authors acknowledge Polite Stewart, Chenhui Zhu, Eric Schaible, and Alexander Hexemer for their help with facilitating the use of equipment and stage modifications in beamline 7.3.3 at the ALS and discussion of data analysis. This work made use of facilities at the Advanced Light Source (ALS), supported by the Office of Science, Office of Basic Energy Sciences, of the US Department of Energy (Contract No. DE-AC02-05CH11231). This work was funded under the Fuel Cell Performance and Durability Consortium (FC PAD) funded by the Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, of the US Department of Energy under contract number DE-AC02-05CH11231 and Program Development Manager Dimitrios Papageorgopoulos. GISAXS/GIWAXS/SAXS and ellipsometry data were collected by A.K. and T.J.D., respectively, and the data analysis and correlations were done by A.K. A.Z.W. oversaw the work and helped in data analysis and discussion. The manuscript was written by A.K. through contributions of all authors. All authors have given approval to the final version of the manuscript. NR 78 TC 3 Z9 3 U1 27 U2 31 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD JUL 19 PY 2016 VL 26 IS 27 BP 4961 EP 4975 DI 10.1002/adfm.201600861 PG 15 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 DS6JR UT WOS:000380888600018 ER PT J AU Hattendorf, B Gusmini, B Dorta, L Houk, RS Gunther, D AF Hattendorf, Bodo Gusmini, Bianca Dorta, Ladina Houk, Robert S. Gunther, Detlef TI Abundance and Impact of Doubly Charged Polyatomic Argon Interferences in ICPMS Spectra SO ANALYTICAL CHEMISTRY LA English DT Article ID INDUCTIVELY-COUPLED PLASMA; ISOTOPE RATIO MEASUREMENTS; SOURCE-MASS-SPECTROMETRY; CHROMATOGRAPHIC-SEPARATION; ISOBARIC INTERFERENCES; ION FORMATION; FE ISOTOPES; MC-ICPMS; MS; ELIMINATION AB Doubly charged molecular ions of alkaline earth metals and argon could be identified as spectral interferences in an inductively coupled plasma mass spectrometer. These molecular ions were found to occur at abundances reaching about 10(-4) relative to the alkaline earth atomic ion abundances. They can thus substantially affect ultratrace analyses and, when present at similar concentration as the analyte elements, also isotope ratio measurements. For the case of Cu and Zn isotope ratio analyses, the same mass concentration of Sr was found to alter the measured Cu-63/Cu-65 and Zn-64/Zn-66 isotope ratios by -0.036 parts per thousand to -0.95 parts per thousand due to SrAr2+, appearing at m/Q63 and 64. BaAr2+ can affect Sr isotope analyses, MgAr2+ may impair S isotope ratio measurements, while CaAt2+ may cause interference to Ca+ isotopes. The abundances of the doubly charged molecular ions were higher than those of the corresponding singly charged species, which is in accordance with their generally higher bond dissociation energies. The relative abundances were found to depend significantly on the inductively coupled plasma (ICP) operating conditions and generally increase with increasing carrier gas flow rates or lower gas temperature of the ICP. They also increase by about an order of magnitude when a desolvated aerosol is introduced to the ICP. C1 [Hattendorf, Bodo; Gusmini, Bianca; Dorta, Ladina; Gunther, Detlef] ETH, Inorgan Chem Lab, Dept Chem & Appl Biosci, Vladimir Prelog Weg 1, CH-8093 Zurich, Switzerland. [Houk, Robert S.] Iowa State Univ, Dept Chem, Ames Lab, US DOE, Ames, IA 50011 USA. RP Hattendorf, B (reprint author), ETH, Inorgan Chem Lab, Dept Chem & Appl Biosci, Vladimir Prelog Weg 1, CH-8093 Zurich, Switzerland. EM bodo@inorg.chem.ethz.ch FU ETH Zurich FX The authors wish to thank Markus Reiher for his contribution by calculating the bond dissociation energies. This work was supported by ETH Zurich. NR 35 TC 1 Z9 1 U1 12 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 EI 1520-6882 J9 ANAL CHEM JI Anal. Chem. PD JUL 19 PY 2016 VL 88 IS 14 BP 7281 EP 7288 DI 10.1021/acs.analchem.6b01614 PG 8 WC Chemistry, Analytical SC Chemistry GA DS0OO UT WOS:000380296800045 PM 27306032 ER PT J AU Dai, ZX Viswanathan, H Middleton, R Pan, F Ampomah, W Yang, CB Jia, W Xiao, T Lee, SY McPherson, B Balch, R Grigg, R White, M AF Dai, Zhenxue Viswanathan, Hari Middleton, Richard Pan, Feng Ampomah, William Yang, Changbing Jia, Wei Xiao, Ting Lee, Si-Yong McPherson, Brian Balch, Robert Grigg, Reid White, Mark TI CO2 Accounting and Risk Analysis for CO2 Sequestration at Enhanced Oil Recovery Sites SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CARBON-DIOXIDE SEQUESTRATION; UNCERTAINTY QUANTIFICATION; GROUNDWATER RESOURCES; STORAGE CAPACITY; IMPACTS; FIELD; CAPTURE; LEAKAGE; FLOW; IDENTIFICATION AB Using CO2 in enhanced oil recovery (CO2-EOR) is a promising technology for emissions management because CO2-EOR can dramatically reduce sequestration costs in the absence of emissions policies that include incentives for carbon capture and storage. This study develops a multiscale statistical framework to perform CO2 accounting and risk analysis in an FOR environment at the Farnsworth Unit (FWU), Texas. A set of geostatistical-based Monte Carlo simulations of CO2-oil/gas-water flow and transport in the Morrow formation are conducted for global sensitivity and statistical analysis of the major risk metrics: CO2/water injection/production rates, cumulative net CO2 storage, cumulative oil/gas productions, and CO2 breakthrough time. The median and confidence intervals are estimated for quantifying uncertainty ranges of the risk metrics. A response-surface-based economic model has been derived to calculate the CO2-EOR profitability for, the FWU site with a current oil price, which suggests that approximately 31% of the 1000 realizations can be profitable. If government carbon-tax credits are available, or the oil price goes up or CO2 capture and operating expenses reduce, more realizations would be profitable. The results from this study provide valuable insights for understanding CO2 storage potential and the corresponding environmental and economic risks of commercial-scale CO2-sequestration in depleted reservoirs. C1 [Dai, Zhenxue; Viswanathan, Hari; Middleton, Richard] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Pan, Feng; Jia, Wei; Xiao, Ting; McPherson, Brian] Univ Utah, Energy & Geosci Inst, Salt Lake City, UT 84108 USA. [Ampomah, William; Balch, Robert; Grigg, Reid] New Mexico Inst Min & Technol, Petr Recovery Res Ctr, Socorro, NM 87801 USA. [Yang, Changbing] Univ Texas Austin, Bur Econ Geol, Austin, TX 78713 USA. [Lee, Si-Yong] Schlumberger Carbon Serv, Cambridge, MA 02139 USA. [White, Mark] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Dai, ZX (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. EM daiz@lanl.gov RI McPherson, Brian/M-4734-2016; OI McPherson, Brian/0000-0002-3836-2651; Dai, Zhenxue/0000-0002-0805-7621 FU U.S. Department of Energy's (DOE), National Energy Technology Laboratory (NETL) through the Southwest Partnership on Carbon Sequestration (SWP) [DE-FC26-05NT42591] FX Funding for this work is provided by the U.S. Department of Energy's (DOE), National Energy Technology Laboratory (NETL) through the Southwest Partnership on Carbon Sequestration (SWP) under Award No. DE-FC26-05NT42591. We gratefully acknowledge the assistance of George Guthrie, Rajesh Pawar, Martha Cather, and Julianna Fessenden-Rahn for providing guidance and constructive comments on our work. We are also grateful to Brian Coats of Coats Engineering, Inc., for providing the multiphase flow and transport modeling code. NR 57 TC 9 Z9 9 U1 7 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD JUL 19 PY 2016 VL 50 IS 14 BP 7546 EP 7554 DI 10.1021/acs.est.6b01744 PG 9 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA DS0OD UT WOS:000380295700031 PM 27362472 ER PT J AU Deng, H Molins, S Steefel, C DePaolo, D Voltolini, M Yang, L Ajo-Franklin, J AF Deng, Hang Molins, Sergi Steefel, Carl DePaolo, Donald Voltolini, Marco Yang, Li Ajo-Franklin, Jonathan TI A 2.5D Reactive Transport Model for Fracture Alteration Simulation SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID CALCITE DISSOLUTION RATES; DIFFUSION-COEFFICIENTS; CARBONATE CAPROCK; GEOLOGIC STORAGE; PORE-SCALE; FLOW; ROCKS; RESERVOIR; KINETICS; 25-DEGREES-C AB Understanding fracture alteration resulting from geochemical reactions is critical in predicting fluid migration in the subsurface and is relevant to multiple environmental challenges. Here, we present a novel 2.5D continuum reactive transport model that captures and predicts the spatial pattern of fracture aperture change and the development of an altered layer in the near-fracture region. The model considers permeability heterogeneity in the fracture plane and updates fracture apertures and flow fields based on local reactions. It tracks the reaction front of each mineral phase and calculates the thickness of the altered layer. Given this treatment, the model is able to account for the diffusion limitation on reaction rates associated with the altered layer. The model results are in good agreement with an experimental study in which a CO2-acidified brine was injected into a fracture in the Duperow Dolomite, causing dissolution of calcite and dolomite that result in the formation of a preferential flow channel and an altered layer. With an effective diffusion coefficient consistent with the experimentally observed porosity of the altered layer, the model captures the progressive decrease in the dissolution rate of the fast-reacting mineral in the altered layer. C1 [Deng, Hang; Molins, Sergi; Steefel, Carl; DePaolo, Donald; Voltolini, Marco; Yang, Li; Ajo-Franklin, Jonathan] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [DePaolo, Donald] Univ Calif Berkeley, Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Deng, H (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM hangdeng@lbl.gov RI Ajo-Franklin, Jonathan/G-7169-2015; Molins, Sergi/A-9097-2012; Steefel, Carl/B-7758-2010; Voltolini, Marco/G-2781-2015; OI Molins, Sergi/0000-0001-7675-3218; Deng, Hang/0000-0001-5784-996X FU Center for Nanoscale Controls on Geologic CO, (NCGC), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-AC02-05CH11231]; Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported as part of the Center for Nanoscale Controls on Geologic CO, (NCGC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under award no. DE-AC02-05CH11231. Tomography experiments discussed were performed with the assistance of Dula Parkinson and Alastair MacDowell at the Advanced Light Source, Beamline 8.3.2, supported by the Office of Basic Energy Sciences, U.S. Department of Energy (contract no. DE-AC02-05CH11231). NR 44 TC 0 Z9 0 U1 7 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X EI 1520-5851 J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD JUL 19 PY 2016 VL 50 IS 14 BP 7564 EP 7571 DI 10.1021/acs.est.6b02184 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA DS0OD UT WOS:000380295700033 PM 27357572 ER PT J AU Butorin, SM Kvashnina, KO Vegelius, JR Meyer, D Shuh, DK AF Butorin, Sergei M. Kvashnina, Kristina O. Vegelius, Johan R. Meyer, Daniel Shuh, David K. TI High-resolution X-ray absorption spectroscopy as a probe of crystal-field and covalency effects in actinide compounds SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE actinide compounds; crystal field; covalency ID CORE-LEVEL SPECTROSCOPY; RARE-EARTH COMPOUNDS; CUBIC-SYMMETRY SITE; ELECTRONIC-STRUCTURE; CORRELATED SYSTEMS; OXIDE NANOCRYSTALS; URANIUM-COMPOUNDS; SINGLE-CRYSTALS; SCATTERING; SPECTRA AB Applying the high-energy resolution fluorescence-detection (HERFD) mode of X-ray absorption spectroscopy (XAS), we were able to probe, for the first time to our knowledge, the crystalline electric field (CEF) splittings of the 5f shell directly in the HERFD-XAS spectra of actinides. Using ThO2 as an example, data measured at the Th 3d edge were interpreted within the framework of the Anderson impurity model. Because the charge-transfer satellites were also resolved in the HERFD-XAS spectra, the analysis of these satellites revealed that ThO2 is not an ionic compound as previously believed. The Th 6d occupancy in the ground state was estimated to be twice that of the Th 5f states. We demonstrate that HERFD-XAS allows for characterization of the CEF interaction and degree of covalency in the ground state of actinide compounds as it is extensively done for 3d transition metal systems. C1 [Butorin, Sergei M.; Vegelius, Johan R.] Uppsala Univ, Dept Phys & Astron, Mol & Condensed Matter Phys, SE-75120 Uppsala, Sweden. [Kvashnina, Kristina O.] European Synchrotron, F-38043 Grenoble, France. [Kvashnina, Kristina O.] Helmholtz Zentrum Dresden Rossendorf, Inst Resource Ecol, D-01314 Dresden, Germany. [Meyer, Daniel] Univ Montpellier, Ecole Natl Super Chim Montpellier, Inst Chim Separat Marcoule, CNRS,UMR Commissariat Energie Atom & Energie Atom, F-30207 Bagnols Sur Ceze, France. [Shuh, David K.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Butorin, SM (reprint author), Uppsala Univ, Dept Phys & Astron, Mol & Condensed Matter Phys, SE-75120 Uppsala, Sweden. EM sergei.butorin@physics.uu.se RI Kvashnina, Kristina/O-2374-2016 OI Kvashnina, Kristina/0000-0003-4447-4542 FU US Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX We thank Dr. D. Hudry for providing the ThO2 sample. This research was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences Heavy Element Chemistry program (D.K.S.) and the Advanced Light Source is supported by the Director, Office of Science, Basic Energy Sciences; both supported by the US Department of Energy at Lawrence Berkeley National Laboratory under Contract DE-AC02-05CH11231. NR 42 TC 2 Z9 2 U1 18 U2 26 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 19 PY 2016 VL 113 IS 29 BP 8093 EP 8097 DI 10.1073/pnas.1601741113 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9NX UT WOS:000380224500046 PM 27370799 ER PT J AU Hanson, SK Pollington, AD Waidmann, CR Kinman, WS Wende, AM Miller, JL Berger, JA Oldham, WJ Selby, HD AF Hanson, Susan K. Pollington, Anthony D. Waidmann, Christopher R. Kinman, William S. Wende, Allison M. Miller, Jeffrey L. Berger, Jennifer A. Oldham, Warren J. Selby, Hugh D. TI Measurements of extinct fission products in nuclear bomb debris: Determination of the yield of the Trinity nuclear test 70 y later SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE nuclear forensics; nuclear testing; treaty monitoring; stable isotope perturbation measurements ID MC-ICP-MS; GAMMA-RAY SPECTROSCOPY; TEST BAN; ISOTOPIC COMPOSITION; MOLYBDENUM; DEVICE; PU-239 AB This paper describes an approach to measuring extinct fission products that would allow for the characterization of a nuclear test at any time. The isotopic composition of molybdenum in five samples of glassy debris from the 1945 Trinity nuclear test has been measured. Nonnatural molybdenum isotopic compositions were observed, reflecting an input from the decay of the short-lived fission products Zr-95 and Zr-97. By measuring both the perturbation of the Mo-95/Mo-96 and Mo-97/Mo-96 isotopic ratios and the total amount of molybdenum in the Trinity nuclear debris samples, it is possible to calculate the original concentrations of the Zr-95 and Zr-97 isotopes formed in the nuclear detonation. Together with a determination of the amount of plutonium in the debris, these measurements of extinct fission products allow for new estimates of the efficiency and yield of the historic Trinity test. C1 [Hanson, Susan K.; Pollington, Anthony D.; Waidmann, Christopher R.; Kinman, William S.; Wende, Allison M.; Miller, Jeffrey L.; Berger, Jennifer A.; Oldham, Warren J.; Selby, Hugh D.] Los Alamos Natl Lab, Div Chem, Nucl & Radiochem Grp, Los Alamos, NM 87545 USA. RP Hanson, SK; Oldham, WJ; Selby, HD (reprint author), Los Alamos Natl Lab, Div Chem, Nucl & Radiochem Grp, Los Alamos, NM 87545 USA. EM skhanson@lanl.gov; woldham@lanl.gov; hds@lanl.gov OI Pollington, Anthony/0000-0002-0678-9271; Oldham, Warren/0000-0002-0997-2653 FU Los Alamos National Laboratory Laboratory Directed Research and Development [20150298ER, 20160011DR] FX The authors thank R. E. Steiner, J. A. Musgrave, and W. C. T. Inkret for helpful discussion. This work is funded by Los Alamos National Laboratory Laboratory Directed Research and Development (Awards 20150298ER and 20160011DR). NR 33 TC 1 Z9 1 U1 8 U2 11 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 19 PY 2016 VL 113 IS 29 BP 8104 EP 8108 DI 10.1073/pnas.1602792113 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9NX UT WOS:000380224500048 PM 27382169 ER PT J AU Young, LN Cho, K Lawrence, R Zoncu, R Hurley, JH AF Young, Lindsey N. Cho, Kelvin Lawrence, Rosalie Zoncu, Roberto Hurley, James H. TI Dynamics and architecture of the NRBF2-containing phosphatidylinositol 3-kinase complex I of autophagy SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE hydrogen-deuterium exchange; electron microscopy; allostery ID ELECTRON-MICROSCOPY; BECLIN 1; PROTEIN; ATG14L; UVRAG; EXCHANGE AB The class III phosphatidylinositol 3-kinase complex I (PI3KC3-C1) is central to autophagy initiation. We previously reported the V-shaped architecture of the four-subunit version of PI3KC3-C1 consisting of VPS (vacuolar protein sorting) 34, VPS15, BECN1 (Beclin 1), and ATG (autophagy-related) 14. Here we show that a putative fifth subunit, nuclear receptor binding factor 2 (NRBF2), is a tightly bound component of the complex that profoundly affects its activity and architecture. NRBF2 enhances the lipid kinase activity of the catalytic subunit, VPS34, by roughly 10-fold. We used hydrogen-deuterium exchange coupled to mass spectrometry and negative-stain electron microscopy to map NRBF2 to the base of the V-shaped complex. NRBF2 interacts primarily with the N termini of ATG14 and BECN1. We show that NRBF2 is a homodimer and drives the dimerization of the larger PI3KC3-C1 complex, with implications for the higher-order organization of the preautophagosomal structure. C1 [Young, Lindsey N.; Cho, Kelvin; Lawrence, Rosalie; Zoncu, Roberto; Hurley, James H.] Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. [Young, Lindsey N.; Cho, Kelvin; Lawrence, Rosalie; Zoncu, Roberto; Hurley, James H.] Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA. [Hurley, James H.] Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA. RP Hurley, JH (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA.; Hurley, JH (reprint author), Univ Calif Berkeley, Calif Inst Quantitat Biosci, Berkeley, CA 94720 USA.; Hurley, JH (reprint author), Lawrence Berkeley Natl Lab, Mol Biophys & Integrated Bioimaging Div, Berkeley, CA 94720 USA. EM jimhurley@berkeley.edu FU NIH [GM111730] FX We thank S. Baskaran, G. Stjepanovic, L.-A. Carlson, X. Ren, and P. Grob for training and advice; E. Nogales for microscope use and L. Bosanac for the MATLAB script used to analyze fluorescence recovery after photobleaching data. This work was supported by NIH Grant GM111730 (to J.H.H.). NR 35 TC 4 Z9 4 U1 5 U2 6 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 19 PY 2016 VL 113 IS 29 BP 8224 EP 8229 DI 10.1073/pnas.1603650113 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9NX UT WOS:000380224500069 PM 27385829 ER PT J AU Raissig, MT Abrash, E Bettadapur, A Vogel, JP Bergmann, DC AF Raissig, Michael T. Abrash, Emily Bettadapur, Akhila Vogel, John P. Bergmann, Dominique C. TI Grasses use an alternatively wired bHLH transcription factor network to establish stomatal identity SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE stomatal development; bHLH transcription factor; Brachypodium; grass ID ASYMMETRIC CELL-DIVISION; BRACHYPODIUM-DISTACHYON; ARABIDOPSIS; DIFFERENTIATION; EVOLUTION; GENES; MAIZE; TRANSFORMATION; SPEECHLESS; PROTEINS AB Stomata, epidermal valves facilitating plant-atmosphere gas exchange, represent a powerful model for understanding cell fate and pattern in plants. Core basic helix-loop-helix (bHLH) transcription factors regulating stomatal development were identified in Arabidopsis, but this dicot's developmental pattern and stomatal morphology represent only one of many possibilities in nature. Here, using unbiased forward genetic screens, followed by analysis of reporters and engineered mutants, we show that stomatal initiation in the grass Brachypodium distachyon uses orthologs of stomatal regulators known from Arabidopsis but that the function and behavior of individual genes, the relationships among genes, and the regulation of their protein products have diverged. Our results highlight ways in which a kernel of conserved genes may be alternatively wired to produce diversity in patterning and morphology and suggest that the stomatal transcription factor module is a prime target for breeding or genome modification to improve plant productivity. C1 [Raissig, Michael T.; Abrash, Emily; Bergmann, Dominique C.] Stanford Univ, Dept Biol, Stanford, CA 94305 USA. [Bettadapur, Akhila; Bergmann, Dominique C.] Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA. [Vogel, John P.] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. RP Bergmann, DC (reprint author), Stanford Univ, Dept Biol, Stanford, CA 94305 USA.; Bergmann, DC (reprint author), Stanford Univ, Howard Hughes Med Inst, Stanford, CA 94305 USA. EM dbergmann@stanford.edu OI Vogel, John/0000-0003-1786-2689 FU Swiss National Science Foundation [P2ZHP3_151598]; Life Science Research Foundation [GBMF2550.05]; Office of Science of the US Department of Energy [DE-AC02-05CH11231] FX We thank C. Ballenger and M. X. Anleu Gil for technical support, J. L. Matos for help establishing Brachypodium in our laboratory, and H. Lindner for comments on the manuscript. This work is supported by Swiss National Science Foundation Fellowship P2ZHP3_151598 (to M.T.R.) and Life Science Research Foundation Grant GBMF2550.05 (to M.T.R.). E.A. was a National Science Foundation graduate research fellow, and D.C.B. is an Investigator of the Howard Hughes Medical Institute. The work conducted by the US Department of Energy Joint Genome Institute is supported by the Office of Science of the US Department of Energy under Contract DE-AC02-05CH11231. NR 33 TC 1 Z9 1 U1 8 U2 9 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 19 PY 2016 VL 113 IS 29 BP 8326 EP 8331 DI 10.1073/pnas.1606728113 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9NX UT WOS:000380224500086 PM 27382177 ER PT J AU Doamekpor, SK Lee, JW Hepowit, NL Wu, C Charenton, C Leonard, M Bengtson, MH Rajashankar, KR Sachs, MS Lima, CD Joazeiro, CAP AF Doamekpor, Selom K. Lee, Joong-Won Hepowit, Nathaniel L. Wu, Cheng Charenton, Clement Leonard, Marilyn Bengtson, Mario H. Rajashankar, Kanagalaghatta R. Sachs, Matthew S. Lima, Christopher D. Joazeiro, Claudio A. P. TI Structure and function of the yeast listerin (Ltn1) conserved N-terminal domain in binding to stalled 60S ribosomal subunits SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE Listerin; Ltn1; RQC; ribosome; structure ID PROTEIN-QUALITY CONTROL; E3 UBIQUITIN LIGASE; CONTROL COMPLEX; DISSOCIATION; TRANSLATION; ELONGATION; PATHWAY; STRESS AB The Ltn1 E3 ligase (listerin in mammals) has emerged as a paradigm for understanding ribosome-associated ubiquitylation. Ltn1 binds to 60S ribosomal subunits to ubiquitylate nascent polypeptides that become stalled during synthesis; among Ltn1's substrates are aberrant products of mRNA lacking stop codons [nonstop translation products (NSPs)]. Here, we report the reconstitution of NSP ubiquitylation in Neurospora crassa cell extracts. Upon translation in vitro, ribosome-stalled NSPs were ubiquitylated in an Ltn1-dependent manner, while still ribosome-associated. Furthermore, we provide biochemical evidence that the conserved N-terminal domain (NTD) plays a significant role in the binding of Ltn1 to 60S ribosomal subunits and that NTD mutations causing defective 60S binding also lead to defective NSP ubiquitylation, without affecting Ltn1's intrinsic E3 ligase activity. Finally, we report the crystal structure of the Ltn1 NTD at 2.4-angstrom resolution. The structure, combined with additional mutational studies, provides insight to NTD's role in binding stalled 60S subunits. Our findings show that Neurospora extracts can be used as a tool to dissect mechanisms underlying ribosome-associated protein quality control and are consistent with a model in which Ltn1 uses 60S subunits as adapters, at least in part via its NTD, to target stalled NSPs for ubiquitylation. C1 [Doamekpor, Selom K.; Charenton, Clement; Lima, Christopher D.] Sloan Kettering Inst, Struct Biol Program, New York, NY 10065 USA. [Lee, Joong-Won; Hepowit, Nathaniel L.; Leonard, Marilyn; Bengtson, Mario H.; Joazeiro, Claudio A. P.] Scripps Res Inst, Dept Cell & Mol Biol, La Jolla, CA 92037 USA. [Wu, Cheng; Sachs, Matthew S.] Texas A&M Univ, Dept Biol, College Stn, TX 77843 USA. [Rajashankar, Kanagalaghatta R.] Northeastern Collaborat Access Team, Adv Photon Source, Argonne, IL 60439 USA. [Rajashankar, Kanagalaghatta R.] Cornell Univ, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. [Lima, Christopher D.] Sloan Kettering Inst, Howard Hughes Med Inst, New York, NY 10065 USA. [Joazeiro, Claudio A. P.] Heidelberg Univ, Zentrum Mol Biol, D-69120 Heidelberg, Germany. [Joazeiro, Claudio A. P.] Univ Heidelberg Alliance ZMBH DKFZ, Zentrum Mol Biol, Deutsch Krebsforsch Zentrum, D-69120 Heidelberg, Germany. [Lee, Joong-Won] Catholic Univ Korea, Coll Med, Eutilex Co Ltd, 222 Banpo Daero, Seoul 06591, South Korea. [Bengtson, Mario H.] Univ Campinas UNICAMP, Inst Biol, Dept Biochem & Tissue Biol, BR-13083970 Campinas, SP, Brazil. RP Lima, CD (reprint author), Sloan Kettering Inst, Struct Biol Program, New York, NY 10065 USA.; Joazeiro, CAP (reprint author), Scripps Res Inst, Dept Cell & Mol Biol, La Jolla, CA 92037 USA.; Sachs, MS (reprint author), Texas A&M Univ, Dept Biol, College Stn, TX 77843 USA.; Joazeiro, CAP (reprint author), Heidelberg Univ, Zentrum Mol Biol, D-69120 Heidelberg, Germany.; Joazeiro, CAP (reprint author), Univ Heidelberg Alliance ZMBH DKFZ, Zentrum Mol Biol, Deutsch Krebsforsch Zentrum, D-69120 Heidelberg, Germany. EM msachs@bio.tamu.edu; limac@mskcc.org; joazeiro@scripps.edu OI Lima, Christopher/0000-0002-9163-6092 FU National Institute of Neurological Disorders and Stroke (NINDS) of the NIH [NS075719]; National Cancer Institute (NCI) of the NIH [CA152103]; NIH [R01 GM061906]; NIH/NCI Cancer Center Support Grant [P30 CA008748]; National Institute of General Medical Sciences from the National Institutes of Health [P41 GM103403]; NIH-ORIP HEI Grant [S10 RR029205]; DOE Office of Science by Argonne National Laboratory [DE-AC02-06CH11357]; [GM068087] FX We thank G. Dieci and J. Warner for reagents and the Fungal Genetics Stock Center for providing Neurospora strains. Work in the C.A.P.J. laboratory is supported by R01 Grant NS075719 from the National Institute of Neurological Disorders and Stroke (NINDS) of the NIH and R01 Grant CA152103 from the National Cancer Institute (NCI) of the NIH. Work in the M.S.S. laboratory is supported by P01 Grant GM068087. Work in the C.D.L. laboratory is supported by NIH Grant R01 GM061906 and NIH/NCI Cancer Center Support Grant P30 CA008748. X-ray crystallographic work is based upon research conducted at the Northeastern Collaborative Access Team beamlines, which are funded by the National Institute of General Medical Sciences from the National Institutes of Health (Grant P41 GM103403). The Pilatus 6M detector on the 24-ID-C beamline is funded by NIH-ORIP HEI Grant S10 RR029205. 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 DE-AC02-06CH11357. C.D.L. is an investigator of the Howard Hughes Medical Institute. This is manuscript 28002 from The Scripps Research Institute. The content is solely the responsibility of the authors and does not necessarily represent the official views of the National Institutes of Health. NR 28 TC 0 Z9 0 U1 2 U2 2 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 19 PY 2016 VL 113 IS 29 BP E4151 EP E4160 DI 10.1073/pnas.1605951113 PG 10 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9NX UT WOS:000380224500008 PM 27385828 ER PT J AU Shuai, J Geng, HY Lan, YC Zhu, Z Wang, C Liu, ZH Bao, JM Chu, CW Sui, JH Ren, ZF AF Shuai, Jing Geng, Huiyuan Lan, Yucheng Zhu, Zhuan Wang, Chao Liu, Zihang Bao, Jiming Chu, Ching-Wu Sui, Jiehe Ren, Zhifeng TI Higher thermoelectric performance of Zintl phases (Eu0.5Yb0.5)(1-x)CaxMg2Bi2 by band engineering and strain fluctuation SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE thermoelectric properties; Bi-based Zintl phases; band engineering; strain-field fluctuation ID LATTICE THERMAL-CONDUCTIVITY; POWER-GENERATION; BULK THERMOELECTRICS; TRANSPORT-PROPERTIES; EFFICIENCY; ZN4SB3; PBS AB Complex Zintl phases, especially antimony (Sb)-based YbZn0.4Cd1.6Sb2 with figure-of-merit (ZT) of similar to 1.2 at 700 K, are good candidates as thermoelectric materials because of their intrinsic "electron-crystal, phonon-glass" nature. Here, we report the rarely studied p-type bismuth (Bi)-based Zintl phases (Ca,Yb,Eu)Mg2Bi2 with a record thermoelectric performance. Phase-pure EuMg2Bi2 is successfully prepared with suppressed bipolar effect to reach ZT similar to 1. Further partial substitution of Eu by Ca and Yb enhanced ZT to similar to 1.3 for Eu0.2Yb0.2Ca0.6Mg2Bi2 at 873 K. Density-functional theory (DFT) simulation indicates the alloying has no effect on the valence band, but does affect the conduction band. Such band engineering results in good p-type thermoelectric properties with high carrier mobility. Using transmission electron microscopy, various types of strains are observed and are believed to be due to atomic mass and size fluctuations. Point defects, strain, dislocations, and nanostructures jointly contribute to phonon scattering, confirmed by the semi-classical theoretical calculations based on a modified Debye-Callaway model of lattice thermal conductivity. This work indicates Bi-based (Ca,Yb,Eu)Mg2Bi2 is better than the Sb-based Zintl phases. C1 [Shuai, Jing; Liu, Zihang; Chu, Ching-Wu; Ren, Zhifeng] Univ Houston, Dept Phys, Houston, TX 77204 USA. [Shuai, Jing; Liu, Zihang; Chu, Ching-Wu; Ren, Zhifeng] Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA. [Geng, Huiyuan; Liu, Zihang; Sui, Jiehe] Harbin Inst Technol, Sch Mat Sci & Engn, Harbin 150001, Heilongjiang, Peoples R China. [Lan, Yucheng] Morgan State Univ, Dept Phys & Engn Phys, Baltimore, MD 21251 USA. [Zhu, Zhuan; Bao, Jiming] Univ Houston, Dept Mech Engn, Houston, TX 77204 USA. [Wang, Chao] Univ Elect Sci & Technol China, State Key Lab Elect Thin Film & Integrated Device, Chengdu 611731, Peoples R China. [Chu, Ching-Wu] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Chu, CW; Ren, ZF (reprint author), Univ Houston, Dept Phys, Houston, TX 77204 USA.; Chu, CW; Ren, ZF (reprint author), Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA.; Sui, JH (reprint author), Harbin Inst Technol, Sch Mat Sci & Engn, Harbin 150001, Heilongjiang, Peoples R China.; Chu, CW (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM cwchu@uh.edu; suijiehe@hit.edu.cn; zren@uh.edu RI Zhu, Zhuan/B-8406-2017 OI Zhu, Zhuan/0000-0003-4377-9053 FU US Department of Energy [DE-FG02-13ER46917/DE-SC0010831]; US Air Force Office of Scientific Research Grant [FA9550-15-1-0236]; National Science Foundation (Career Award) [ECCS-1240510]; Robert A. Welch Foundation [E-1728]; T.L.L. Temple Foundation; John J. and Rebecca Moores Endowment; State of Texas through the Texas Center for Superconductivity at the University of Houston; National Natural Science Foundation of China [51471061] FX The work performed at University of Houston is funded by the US Department of Energy under Contract DE-FG02-13ER46917/DE-SC0010831 and supported in part by US Air Force Office of Scientific Research Grant FA9550-15-1-0236, National Science Foundation (Career Award ECCS-1240510), the Robert A. Welch Foundation (E-1728), the T.L.L. Temple Foundation, the John J. and Rebecca Moores Endowment, and the State of Texas through the Texas Center for Superconductivity at the University of Houston. This work was also supported by the National Natural Science Foundation of China (51471061). NR 52 TC 4 Z9 4 U1 15 U2 24 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD JUL 19 PY 2016 VL 113 IS 29 BP E4125 EP E4132 DI 10.1073/pnas.1608794113 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR9NX UT WOS:000380224500005 PM 27385824 ER PT J AU Michener, JK Vuilleumier, S Bringel, F Marx, CJ AF Michener, Joshua K. Vuilleumier, Stephane Bringel, Francoise Marx, Christopher J. TI Transfer of a Catabolic Pathway for Chloromethane in Methylobacterium Strains Highlights Different Limitations for Growth with Chloromethane or with Dichloromethane SO FRONTIERS IN MICROBIOLOGY LA English DT Article DE horizontal gene transfer (HGT); bioremediation; chloromethane; Methylobacterium extonquens; microbial evolution ID GRAM-NEGATIVE BACTERIA; EXTORQUENS AM1; DEGRADING BACTERIA; UTILIZATION GENES; METHYL-CHLORIDE; METABOLISM; CM4; EXPRESSION; SEQUENCE; FORMATE AB Chloromethane (CM) is an ozone-depleting gas, produced predominantly from natural sources, that provides an important carbon source for microbes capable of consuming it. CM catabolism has been difficult to study owing to the challenging genetics of its native microbial hosts. Since the pathways for CM catabolism show evidence of horizontal gene transfer, we reproduced this transfer process in the laboratory to generate new CM-catabolizing strains in tractable hosts. We demonstrate that six putative accessory genes improve CM catabolism, though heterologous expression of only one of the six is strictly necessary for growth on CM. In contrast to growth of Methylobacterium strains with the closely related compound dichloromethane (DCM), we find that chloride export does not limit growth on CM and, in general that the ability of a strain to grow on DCM is uncorrelated with its ability to grow on CM. This heterologous expression system allows us to investigate the components required for effective CM catabolism and the factors that limit effective catabolism after horizontal transfer. C1 [Michener, Joshua K.] MIT, Dept Biol Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. [Michener, Joshua K.; Marx, Christopher J.] Harvard Univ, Dept Organism & Evolutionary Biol, Cambridge, MA 02138 USA. [Michener, Joshua K.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Vuilleumier, Stephane; Bringel, Francoise] Univ Strasbourg, CNRS, UMR UNISTRA 7156, Strasbourg, France. [Marx, Christopher J.] Univ Idaho, Dept Biol Sci, Moscow, ID 83843 USA. [Marx, Christopher J.] Univ Idaho, Inst Bioinformat & Evolutionary Studies, Moscow, ID 83843 USA. [Marx, Christopher J.] Univ Idaho, Ctr Modeling Complex Interact, Moscow, ID 83843 USA. RP Michener, JK (reprint author), MIT, Dept Biol Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA.; Michener, JK (reprint author), Harvard Univ, Dept Organism & Evolutionary Biol, Cambridge, MA 02138 USA.; Michener, JK (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM michenerjk@ornl.gov FU National Institutes of Health [F32 GM 106629]; U.S. Department of Energy [DE-AC05-00OR22725] FX The authors acknowledge financial support from the National Institutes of Health (F32 GM 106629 to JM). Oak Ridge National Laboratory is managed by UT Battelle, LLC under Contract No. DE-AC05-00OR22725 for the U.S. Department of Energy. NR 41 TC 0 Z9 0 U1 7 U2 7 PU FRONTIERS MEDIA SA PI LAUSANNE PA PO BOX 110, EPFL INNOVATION PARK, BUILDING I, LAUSANNE, 1015, SWITZERLAND SN 1664-302X J9 FRONT MICROBIOL JI Front. Microbiol. PD JUL 19 PY 2016 VL 7 AR 1116 DI 10.3389/fmich.2016.01116 PG 8 WC Microbiology SC Microbiology GA DR3ZG UT WOS:000379840600003 PM 27486448 ER PT J AU Gorchon, J Yang, Y Bokor, J AF Gorchon, J. Yang, Y. Bokor, J. TI Model for multishot all-thermal all-optical switching in ferromagnets SO PHYSICAL REVIEW B LA English DT Article ID THIN-FILMS; REVERSAL AB All-optical magnetic switching (AOS) is a recently observed rich and puzzling phenomenon that offers promising technological applications. However, a fundamental understanding of the underlying mechanisms remains elusive. Here we present a model for multishot helicity-dependent AOS in ferromagnetic materials based on a purely heat-driven mechanism in the presence of magnetic circular dichroism (MCD). We predict that AOS should be possible with as little as 0.5% of MCD, after a minimum number of laser shots heat the sample close to the Curie temperature. Finally, we qualitatively reproduce the all-optically switched domain patterns observed experimentally by numerically simulating the result of multiple laser shots on an FePtC granular ferromagnetic film. C1 [Gorchon, J.; Bokor, J.] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Gorchon, J.; Bokor, J.] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Yang, Y.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Gorchon, J (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA.; Gorchon, J (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM jgorchon@lbl.gov RI Bokor, Jeffrey/A-2683-2011; Gorchon, Jon/H-1315-2013 OI Gorchon, Jon/0000-0003-2578-0835 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation Center for Energy Efficient Electronics Science [0939514] FX This work was primarily 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 within the Nonequilibrium Magnetic Materials Program (MSMAG). Partial support was also provided by the National Science Foundation Center for Energy Efficient Electronics Science (Award No. 0939514) for assistance in the calculations by Y.Y. NR 24 TC 1 Z9 1 U1 5 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 19 PY 2016 VL 94 IS 2 AR 020409 DI 10.1103/PhysRevB.94.020409 PG 5 WC Physics, Condensed Matter SC Physics GA DR7RU UT WOS:000380098200002 ER PT J AU Ke, LQ Johnson, DD AF Ke, Liqin Johnson, Duane D. TI Intrinsic magnetic properties in R(Fe1-xCox)(11)TiZ (R = Y and Ce; Z = H, C, and N) SO PHYSICAL REVIEW B LA English DT Article ID RARE-EARTH; NEUTRON-DIFFRACTION; INTERMETALLIC COMPOUNDS; MAGNETOCRYSTALLINE ANISOTROPY; PERMANENT-MAGNETS; RFE11TI COMPOUNDS; THMN12 STRUCTURE; PHASE; HYDROGEN; MOSSBAUER AB To guide improved properties coincident with reduction of critical materials in permanent magnets, we investigate via density functional theory (DFT) the intrinsic magnetic properties of a promising system, R(Fe1-xCox)(11)TiZ with R = Y, Ce and interstitial doping (Z = H, C, N). The magnetization M, Curie temperature TC, and magnetocrystalline anisotropy energy K calculated in local density approximation to DFT agree well with measurements. Site-resolved contributions to K reveal that all three Fe sublattices promote uniaxial anisotropy in YFe11Ti, while competing anisotropy contributions exist in YCo11Ti. As observed in experiments on R(Fe1-xCox)(11)Ti, we find a complex nonmonotonic dependence of K on Co content and show that anisotropy variations are a collective effect of MAE contributions from all sites and cannot be solely explained by preferential site occupancy. With interstitial doping, calculated TC enhancements are in the sequence of N > C > H, with volume and chemical effects contributing to the enhancement. The uniaxial anisotropy of R(Fe1-xCox)(11)TiZ generally decreases with C and N; although, for R = Ce, C doping is found to greatly enhance it for a small range of 0.7 < x < 0.9. C1 [Ke, Liqin; Johnson, Duane D.] US DOE, Ames Lab, Ames, IA 50011 USA. [Johnson, Duane D.] Iowa State Univ, Mat Sci & Engn, Ames, IA 50011 USA. RP Ke, LQ (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM liqinke@ameslab.gov FU U.S. Department of Energy ARPA-E [REACT 0472-1526]; U.S. DOE [DE-AC02-07CH11358] FX We thank B. Harmon, A. Alam, C. Zhou, and R. W. McCallum for helpful discussions. This work was supported by the U.S. Department of Energy ARPA-E (REACT 0472-1526). Ames Laboratory is operated for the U.S. DOE by Iowa State University under Contract No. DE-AC02-07CH11358. NR 60 TC 2 Z9 2 U1 12 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 19 PY 2016 VL 94 IS 2 AR 024423 DI 10.1103/PhysRevB.94.024423 PG 9 WC Physics, Condensed Matter SC Physics GA DR7RU UT WOS:000380098200004 ER PT J AU Sangeetha, NS Cuervo-Reyes, E Pandey, A Johnston, DC AF Sangeetha, N. S. Cuervo-Reyes, Eduardo Pandey, Abhishek Johnston, D. C. TI EuCo2P2: A model molecular-field helical Heisenberg antiferromagnet SO PHYSICAL REVIEW B LA English DT Article ID MAGNETIC-STRUCTURE; TRANSITION; DIFFRACTION; PRESSURE; BEHAVIOR AB The metallic compound EuCo2P2 with the body-centered tetragonal ThCr2Si2 structure containing Eu spins-7/2 was previously shown from single-crystal neutron diffraction measurements to exhibit a helical antiferromagnetic (AFM) structure below T-N = 66.5 K with the helix axis along the c axis and with the ordered moments aligned within the ab plane. Here we report crystallography, electrical resistivity, heat capacity, magnetization, and magnetic susceptibility measurements on single crystals of this compound. We demonstrate that EuCo2P2 is a model molecular-field helical Heisenberg antiferromagnet from comparisons of the anisotropic magnetic susceptibility chi, high-field magnetization, and magnetic heat capacity of EuCo2P2 single crystals at temperature T <= T-N with the predictions of our recent formulation of molecular-field theory. Values of the Heisenberg exchange interactions between the Eu spins are derived from the data. The low-T magnetic heat capacity similar to T-3 arising from spin-wave excitations with no anisotropy gap is calculated and found to be comparable to the lattice heat capacity. The density of states at the Fermi energy of EuCo2P2 and the related compound BaCo2P2 are found from the heat capacity data to be large, 10 and 16 states/eV per formula unit for EuCo2P2 and BaCo2P2, respectively. These values are enhanced by a factor of similar to 2.5 above those found from DFT electronic structure calculations for the two compounds. The calculations also find ferromagnetic Eu-Eu exchange interactions within the ab plane and AFM interactions between Eu spins in nearest- and next-nearest planes, in agreement with the MFT analysis of chi(ab) (T <= T-N). C1 [Sangeetha, N. S.; Pandey, Abhishek; Johnston, D. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Sangeetha, N. S.; Pandey, Abhishek; Johnston, D. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Cuervo-Reyes, Eduardo] Swiss Fed Labs Mat Sci & Technol Empa, Uberlandstr 129, CH-8600 Dubendorf, Switzerland. [Cuervo-Reyes, Eduardo] ETH, Swiss Fed Inst Technol, Vladimir Prelog Weg 1, CH-8093 Zurich, Switzerland. [Pandey, Abhishek] Texas A&M Univ, Dept Phys & Astron, College Stn, TX 77840 USA. RP Cuervo-Reyes, E (reprint author), Swiss Fed Labs Mat Sci & Technol Empa, Uberlandstr 129, CH-8600 Dubendorf, Switzerland.; Cuervo-Reyes, E (reprint author), ETH, Swiss Fed Inst Technol, Vladimir Prelog Weg 1, CH-8093 Zurich, Switzerland. EM eduardo.cuervoreyes@empa.ch; johnston@ameslab.gov RI Pandey, Abhishek /M-5679-2015 OI Pandey, Abhishek /0000-0003-2839-1720 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. Department of Energy [DE-AC02-07CH11358]; SCCER Storage/Mobility FX The research at Ames Laboratory was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. The financial support of E.C.R. by SCCER Storage/Mobility is gratefully acknowledged. E.C.R. also thanks the Small Molecule Crystallographic Center at ETH Zurich for computational support. NR 45 TC 0 Z9 0 U1 13 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 19 PY 2016 VL 94 IS 1 AR 014422 DI 10.1103/PhysRevB.94.014422 PG 18 WC Physics, Condensed Matter SC Physics GA DR7RJ UT WOS:000380097100002 ER PT J AU Tseng, KF Keller, T Walters, AC Birgeneau, RJ Keimer, B AF Tseng, K. F. Keller, T. Walters, A. C. Birgeneau, R. J. Keimer, B. TI Neutron spin-echo study of the critical dynamics of spin-5/2 antiferromagnets in two and three dimensions SO PHYSICAL REVIEW B LA English DT Article ID QUANTUM HEISENBERG-ANTIFERROMAGNET; SQUARE-LATTICE; RENORMALIZATION-GROUP; RESOLUTION FUNCTION; CRITICAL-BEHAVIOR; SCATTERING; MNF2; TEMPERATURE; SR2CUO2CL2; RESONANCE AB We report a neutron spin-echo study of the critical dynamics in the S = 5/2 antiferromagnets MnF2 and Rb2MnF4 with three-dimensional (3D) and two-dimensional (2D) spin systems, respectively, in zero external field. Both compounds are Heisenberg antiferromagnets with a small uniaxial anisotropy resulting from dipolar spin-spin interactions, which leads to a crossover in the critical dynamics close to the Neel temperature, T-N. By taking advantage of the mu eV energy resolution of the spin-echo spectrometer, we have determined the dynamical critical exponents z for both longitudinal and transverse fluctuations. In MnF2, both the characteristic temperature for crossover from 3D Heisenberg to 3D Ising behavior and the exponents z in both regimes are consistent with predictions from the dynamical scaling theory. The amplitude ratio of longitudinal and transverse fluctuations also agrees with predictions. In Rb2MnF4, the critical dynamics crosses over from the expected 2D Heisenberg behavior for T >> T-N to a scaling regime with exponent z = 1.387(4), which has not been predicted by theory and may indicate the influence of long-range dipolar interactions. C1 [Tseng, K. F.; Keller, T.; Walters, A. C.; Keimer, B.] Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany. [Tseng, K. F.; Keller, T.] Max Planck Soc Outstn Forsch Neutronenquelle Hein, D-85747 Garching, Germany. [Walters, A. C.] Diamond Light Source Ltd, Didcot OX11 0DE, Oxon, England. [Birgeneau, R. J.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Keimer, B (reprint author), Max Planck Inst Festkorperforsch, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM b.keimer@fkf.mpg.de FU German Science Foundation (DFG) [SFB/TRR 80]; Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, of the US Department of Energy within the Quantum Materials Program [DE-AC02-05-CH11231, KC2202] FX We thank the German Science Foundation (DFG) for financial support under Grant No. SFB/TRR 80. We also thank Franz Tralmer for excellent technical support. The work at LBL was supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Science and Engineering Division, of the US Department of Energy under Contract No. DE-AC02-05-CH11231 within the Quantum Materials Program (KC2202). NR 54 TC 0 Z9 0 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 19 PY 2016 VL 94 IS 1 AR 014424 DI 10.1103/PhysRevB.94.014424 PG 9 WC Physics, Condensed Matter SC Physics GA DR7RJ UT WOS:000380097100004 ER PT J AU Wang, M Yi, M Jin, SJ Jiang, HC Song, Y Luo, HQ Christianson, AD de la Cruz, C Bourret-Courchesne, E Yao, DX Lee, DH Birgeneau, RJ AF Wang, Meng Yi, Ming Jin, Shangjian Jiang, Hongchen Song, Yu Luo, Huiqian Christianson, A. D. de la Cruz, C. Bourret-Courchesne, E. Yao, Dao-Xin Lee, D. H. Birgeneau, R. J. TI Spin waves and magnetic exchange interactions in the spin-ladder compound RbFe2Se3 SO PHYSICAL REVIEW B LA English DT Article ID SUPERCONDUCTIVITY; CHALCOGENIDES; NEUTRON AB We report an inelastic neutron scattering study of the spin waves of the one-dimensional antiferromagnetic spin ladder compound RbFe2Se3. The results reveal that the products, SJ's, of the spin S and the magnetic exchange interaction J along the antiferromagnetic (leg) direction and the ferromagnetic (rung) direction are comparable with those for the stripe ordered phase of the parent compounds of the iron-based superconductors. The universality of the SJ's implies nearly universal spin wave dynamics and the irrelevance of the fermiology for the existence of the stripe antiferromagnetic order among various Fe-based materials. C1 [Wang, Meng; Yi, Ming; Lee, D. H.; Birgeneau, R. J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Jin, Shangjian; Yao, Dao-Xin] Sun Yat Sen Univ, Sch Phys, Guangzhou 510275, Guangdong, Peoples R China. [Jiang, Hongchen] Stanford Inst Mat & Energy Sci, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Song, Yu] Rice Univ, Dept Phys & Astron, Houston, TX 77005 USA. [Luo, Huiqian] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Christianson, A. D.; de la Cruz, C.] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Bourret-Courchesne, E.; Lee, D. H.; Birgeneau, R. J.] Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA. [Birgeneau, R. J.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Wang, M (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM wangm@berkeley.edu RI BL18, ARCS/A-3000-2012; christianson, andrew/A-3277-2016 OI christianson, andrew/0000-0003-3369-5884 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Quantum Materials Program [DE-AC02-05-CH11231, KC2202]; Office of Basic Energy Sciences U.S. DOE Grant [DE-AC03-76SF008]; Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division [DE-AC02-76SF00515]; NSFC; MOST of China; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; [NBRPC-2012CB821400]; [NSFC-11275279]; [NSFC-11574404]; [NSFG-2015A030313176] FX This work was supported by the Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05-CH11231 within the Quantum Materials Program (KC2202) and the Office of Basic Energy Sciences U.S. DOE Grant No. DE-AC03-76SF008. The research at Sun Yat-Sen University was supported by NBRPC-2012CB821400, NSFC-11275279, NSFC-11574404, and NSFG-2015A030313176. H.C.J. was supported by the Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, under Contract No. DE-AC02-76SF00515. H. Luo is grateful for the support from NSFC and MOST of China. The experiment at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. NR 35 TC 2 Z9 2 U1 7 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 19 PY 2016 VL 94 IS 4 AR 041111 DI 10.1103/PhysRevB.94.041111 PG 5 WC Physics, Condensed Matter SC Physics GA DR7UQ UT WOS:000380105600001 ER PT J AU Lees, JP Poireau, V Tisserand, V Grauges, E Palano, A Eigen, G Brown, DN Kolomensky, YG Koch, H Schroeder, T Hearty, C Mattison, TS McKenna, JA So, RY Blinov, VE Buzykaev, AR Druzhinin, VP Golubev, VB Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Lankford, AJ Gary, JW Long, O Eisner, AM Lockman, WS Vazquez, WP Chao, DS Cheng, CH Echenard, B Flood, KT Hitlin, DG Kim, J Miyashita, TS Ongmongkolkul, P Porter, FC Rohrken, M Huard, Z Meadows, BT Pushpawela, BG Sokoloff, MD Sun, L Smith, JG Wagner, SR Bernard, D Verderi, M Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Fioravanti, E Garzia, I Luppi, E Santoro, V Calcaterra, A de Sangro, R Finocchiaro, G Martellotti, S Patteri, P Peruzzi, IM Piccolo, M Zallo, A Passaggio, S Patrignani, C Bhuyan, B Mallik, U Chen, C Cochran, J Prell, S Ahmed, H Gritsan, AV Arnaud, N Davier, M Le Diberder, F Lutz, AM Wormser, G Lange, DJ Wright, DM Coleman, JP Gabathuler, E Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ Di Lodovico, F Sacco, R Cowan, G Banerjee, S Brown, DN Davis, CL Denig, AG Fritsch, M Gradl, W Griessinger, K Hafner, A Schubert, KR Barlow, RJ Lafferty, GD Cenci, R Jawahery, A Roberts, DA Cowan, R Cheaib, R Robertson, SH Dey, B Neri, N Palombo, F Cremaldi, L Godang, R Summers, DJ Taras, P De Nardo, G Sciacca, C Raven, G Jessop, CP LoSecco, JM Honscheid, K Kass, R Gaz, A Margoni, M Posocco, M Rotondo, M Simi, G Simonetto, F Stroili, R Akar, S Ben-Haim, E Bomben, M Bonneaud, GR Calderini, G Chauveau, J Marchiori, G Ocariz, J Biasini, M Manoni, E Rossi, A Batignani, G Bettarini, S Carpinelli, M Casarosa, G Chrzaszcz, M Forti, F Giorgi, MA Lusiani, A Oberhof, B Paoloni, E Rama, M Rizzo, G Walsh, JJ Smith, AJS Anulli, F Faccini, R Ferrarotto, F Ferroni, F Pilloni, A Piredda, G Bunger, C Dittrich, S Grunberg, O Hess, M Leddig, T Voss, C Waldi, R Adye, T Wilson, FF Emery, S Vasseur, G Aston, D Cartaro, C Convery, MR Dorfan, J Dunwoodie, W Ebert, M Field, RC Fulsom, BG Graham, MT Hast, C Innes, WR Kim, P Leith, DWGS Luitz, S Luth, V MacFarlane, DB Muller, DR Neal, H Ratcliff, BN Roodman, A Sullivan, MK Va'vra, J Wisniewski, WJ Purohit, MV Wilson, JR Randle-Conde, A Sekula, SJ Bellis, M Burchat, PR Puccio, EMT Alam, MS Ernst, JA Gorodeisky, R Guttman, N Peimer, DR Soffer, A Spanier, SM Ritchie, JL Schwitters, RF Izen, JM Lou, XC Bianchi, F De Mori, F Filippi, A Gamba, D Lanceri, L Vitale, L Martinez-Vidal, F Oyanguren, A Albert, J Beaulieu, A Bernlochner, FU King, GJ Kowalewski, R Lueck, T Nugent, IM Roney, JM Shuve, B Tasneem, N Gershon, TJ Harrison, PF Latham, TE Prepost, R Wu, SL AF Lees, J. P. Poireau, V. Tisserand, V. Grauges, E. Palano, A. Eigen, G. Brown, D. N. Kolomensky, Yu. G. Koch, H. Schroeder, T. Hearty, C. Mattison, T. S. McKenna, J. A. So, R. Y. Blinov, V. E. Buzykaev, A. R. Druzhinin, V. P. Golubev, V. B. Kravchenko, E. A. Onuchin, A. P. Serednyakov, S. I. Skovpen, Yu. I. Solodov, E. P. Todyshev, K. Yu. Lankford, A. J. Gary, J. W. Long, O. Eisner, A. M. Lockman, W. S. Vazquez, W. Panduro Chao, D. S. Cheng, C. H. Echenard, B. Flood, K. T. Hitlin, D. G. Kim, J. Miyashita, T. S. Ongmongkolkul, P. Porter, F. C. Roehrken, M. Huard, Z. Meadows, B. T. Pushpawela, B. G. Sokoloff, M. D. Sun, L. Smith, J. G. Wagner, S. R. Bernard, D. Verderi, M. Bettoni, D. Bozzi, C. Calabrese, R. Cibinetto, G. Fioravanti, E. Garzia, I. Luppi, E. Santoro, V. Calcaterra, A. de Sangro, R. Finocchiaro, G. Martellotti, S. Patteri, P. Peruzzi, I. M. Piccolo, M. Zallo, A. Passaggio, S. Patrignani, C. Bhuyan, B. Mallik, U. Chen, C. Cochran, J. Prell, S. Ahmed, H. Gritsan, A. V. Arnaud, N. Davier, M. Le Diberder, F. Lutz, A. M. Wormser, G. Lange, D. J. Wright, D. M. Coleman, J. P. Gabathuler, E. Hutchcroft, D. E. Payne, D. J. Touramanis, C. Bevan, A. J. Di Lodovico, F. Sacco, R. Cowan, G. Banerjee, Sw. Brown, D. N. Davis, C. L. Denig, A. G. Fritsch, M. Gradl, W. Griessinger, K. Hafner, A. Schubert, K. R. Barlow, R. J. Lafferty, G. D. Cenci, R. Jawahery, A. Roberts, D. A. Cowan, R. Cheaib, R. Robertson, S. H. Dey, B. Neri, N. Palombo, F. Cremaldi, L. Godang, R. Summers, D. J. Taras, P. De Nardo, G. Sciacca, C. Raven, G. Jessop, C. P. LoSecco, J. M. Honscheid, K. Kass, R. Gaz, A. Margoni, M. Posocco, M. Rotondo, M. Simi, G. Simonetto, F. Stroili, R. Akar, S. Ben-Haim, E. Bomben, M. Bonneaud, G. R. Calderini, G. Chauveau, J. Marchiori, G. Ocariz, J. Biasini, M. Manoni, E. Rossi, A. Batignani, G. Bettarini, S. Carpinelli, M. Casarosa, G. Chrzaszcz, M. Forti, F. Giorgi, M. A. Lusiani, A. Oberhof, B. Paoloni, E. Rama, M. Rizzo, G. Walsh, J. J. Smith, A. J. S. Anulli, F. Faccini, R. Ferrarotto, F. Ferroni, F. Pilloni, A. Piredda, G. Buenger, C. Dittrich, S. Gruenberg, O. Hess, M. Leddig, T. Voss, C. Waldi, R. Adye, T. Wilson, F. F. Emery, S. Vasseur, G. Aston, D. Cartaro, C. Convery, M. R. Dorfan, J. Dunwoodie, W. Ebert, M. Field, R. C. Fulsom, B. G. Graham, M. T. Hast, C. Innes, W. R. Kim, P. Leith, D. W. G. S. Luitz, S. Luth, V. MacFarlane, D. B. Muller, D. R. Neal, H. Ratcliff, B. N. Roodman, A. Sullivan, M. K. Va'vra, J. Wisniewski, W. J. Purohit, M. V. Wilson, J. R. Randle-Conde, A. Sekula, S. J. Bellis, M. Burchat, P. R. Puccio, E. M. T. Alam, M. S. Ernst, J. A. Gorodeisky, R. Guttman, N. Peimer, D. R. Soffer, A. Spanier, S. M. Ritchie, J. L. Schwitters, R. F. Izen, J. M. Lou, X. C. Bianchi, F. De Mori, F. Filippi, A. Gamba, D. Lanceri, L. Vitale, L. Martinez-Vidal, F. Oyanguren, A. Albert, J. Beaulieu, A. Bernlochner, F. U. King, G. J. Kowalewski, R. Lueck, T. Nugent, I. M. Roney, J. M. Shuve, B. Tasneem, N. Gershon, T. J. Harrison, P. F. Latham, T. E. Prepost, R. Wu, S. L. CA BaBar Collaboration TI Search for a muonic dark force at BABAR SO PHYSICAL REVIEW D LA English DT Article ID KLOE EXPERIMENT; VECTOR BOSON; U-GAMMA; E(+)E(-); DETECTOR; LIMIT AB Many models of physics beyond the standard model predict the existence of new Abelian forces with new gauge bosons mediating interactions between "dark sectors" and the standard model. We report a search for a dark boson Z' coupling only to the second and third generations of leptons in the reaction e(+)e(-) -> mu(+)mu(-) Z', Z' -> mu(+)mu(-) using 514 fb(-1) of data collected by the BABAR experiment. No significant signal is observed for Z' masses in the range 0.212-10 GeV. Limits on the coupling parameter g' as low as 7 x 10(-4) are derived, leading to improvements in the bounds compared to those previously derived from neutrino experiments. C1 [Lees, J. P.; Poireau, V.; Tisserand, V.] Univ Savoie, CNRS IN2P3, LAPP, F-74941 Annecy Le Vieux, France. [Grauges, E.] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. [Palano, A.] Univ Bari, Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Palano, A.] Univ Bari, Dipartmento Fis, I-70126 Bari, Italy. [Eigen, G.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Brown, D. N.; Kolomensky, Yu. G.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Brown, D. N.; Kolomensky, Yu. G.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Koch, H.; Schroeder, T.] Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. [Hearty, C.; Mattison, T. S.; McKenna, J. A.; So, R. Y.] Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. [Blinov, V. E.; Buzykaev, A. R.; Druzhinin, V. P.; Golubev, V. B.; Kravchenko, E. A.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.] RAS, Budker Inst Nucl Phys, SB, Novosibirsk 630090, Russia. [Blinov, V. E.; Druzhinin, V. P.; Golubev, V. B.; Kravchenko, E. A.; Onuchin, A. P.; Serednyakov, S. I.; Skovpen, Yu. I.; Solodov, E. P.; Todyshev, K. Yu.; Beaulieu, A.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Blinov, V. E.; Onuchin, A. P.] Novosibirsk State Tech Univ, Novosibirsk 630092, Russia. [Lankford, A. J.] Univ Calif Irvine, Irvine, CA 92697 USA. [Gary, J. W.; Long, O.] Univ Calif Riverside, Riverside, CA 92521 USA. [Eisner, A. M.; Lockman, W. S.; Vazquez, W. Panduro] Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. [Chao, D. S.; Cheng, C. H.; Echenard, B.; Flood, K. T.; Hitlin, D. G.; Kim, J.; Miyashita, T. S.; Ongmongkolkul, P.; Porter, F. C.; Roehrken, M.] CALTECH, Pasadena, CA 91125 USA. [Huard, Z.; Meadows, B. T.; Pushpawela, B. G.; Sokoloff, M. D.; Sun, L.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Smith, J. G.; Wagner, S. R.] Univ Colorado, Boulder, CO 80309 USA. [Bernard, D.; Verderi, M.] Ecole Polytech, CNRS IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Bettoni, D.; Bozzi, C.; Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Garzia, I.; Luppi, E.; Santoro, V.] Ist Nazl Fis Nucl, Sez Ferrara, I-44122 Ferrara, Italy. [Calabrese, R.; Cibinetto, G.; Fioravanti, E.; Garzia, I.; Luppi, E.] Univ Ferrara, Dipartimento Fis & Sci Terra, I-44122 Ferrara, Italy. [Calcaterra, A.; de Sangro, R.; Finocchiaro, G.; Martellotti, S.; Patteri, P.; Peruzzi, I. M.; Piccolo, M.; Zallo, A.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Passaggio, S.; Patrignani, C.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Bhuyan, B.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Mallik, U.] Univ Iowa, Iowa City, IA 52242 USA. [Chen, C.; Cochran, J.; Prell, S.] Iowa State Univ, Ames, IA 50011 USA. [Ahmed, H.] Jazan Univ, Dept Phys, Jazan 22822, Saudi Arabia. [Gritsan, A. V.] Johns Hopkins Univ, Baltimore, MD 21287 USA. [Arnaud, N.; Davier, M.; Le Diberder, F.; Lutz, A. M.; Wormser, G.] IN2P3 CNRS, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Arnaud, N.; Davier, M.; Le Diberder, F.; Lutz, A. M.; Wormser, G.] Univ Paris 11, Ctr Sci Orsay, F-91898 Orsay, France. [Lange, D. J.; Wright, D. M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Coleman, J. P.; Gabathuler, E.; Hutchcroft, D. E.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Bevan, A. J.; Di Lodovico, F.; Sacco, R.] Queen Mary Univ London, London E1 4NS, England. [Cowan, G.] Univ London, Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. [Payne, D. J.; Touramanis, C.; Banerjee, Sw.; Brown, D. N.; Davis, C. L.] Univ Louisville, Louisville, KY 40292 USA. [Denig, A. G.; Fritsch, M.; Gradl, W.; Griessinger, K.; Hafner, A.; Schubert, K. R.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany. [Barlow, R. J.; Lafferty, G. D.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Cenci, R.; Jawahery, A.; Roberts, D. A.] Univ Maryland, College Pk, MD 20742 USA. [Cowan, R.] MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. [Cheaib, R.; Robertson, S. H.] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Dey, B.; Neri, N.; Palombo, F.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Palombo, F.] Univ Milan, Dipartmento Fis, I-20133 Milan, Italy. [Cremaldi, L.; Godang, R.; Summers, D. J.] Univ Mississippi, University, MS 38677 USA. [Taras, P.] Univ Montreal, Phys Particules, Montreal, PQ H3C 3J7, Canada. [De Nardo, G.; Sciacca, C.] Univ Naples Federico II, Ist Nazl Fis Nucl, Sez Napoli, I-80126 Naples, Italy. [De Nardo, G.; Sciacca, C.] Univ Naples Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. [Raven, G.] NIKHEF, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. [Jessop, C. P.; LoSecco, J. M.] Univ Notre Dame, Notre Dame, IN 46556 USA. [Honscheid, K.; Kass, R.] Ohio State Univ, Columbus, OH 43210 USA. [Gaz, A.; Margoni, M.; Posocco, M.; Rotondo, M.; Simi, G.; Simonetto, F.; Stroili, R.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Margoni, M.; Simi, G.; Simonetto, F.; Stroili, R.] Univ Padua, Dipartmento Fis, I-35131 Padua, Italy. [Akar, S.; Ben-Haim, E.; Bomben, M.; Bonneaud, G. R.; Calderini, G.; Chauveau, J.; Marchiori, G.] Univ Paris 06, Univ Paris 07, IN2P3 CNRS, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. [Ocariz, J.; Biasini, M.; Manoni, E.; Rossi, A.] Ist Nazl Fis Nucl, Sez Perugia, I-06123 Perugia, Italy. [Ocariz, J.] Univ Perugia, Dipartmento Fis, I-06123 Perugia, Italy. [Calcaterra, A.; Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Chrzaszcz, M.; Forti, F.; Giorgi, M. A.; Lusiani, A.; Oberhof, B.; Paoloni, E.; Rama, M.; Rizzo, G.; Walsh, J. J.; Beaulieu, A.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Batignani, G.; Bettarini, S.; Carpinelli, M.; Casarosa, G.; Forti, F.; Giorgi, M. A.; Oberhof, B.; Paoloni, E.; Rizzo, G.] Univ Pisa, Dipartmento Fis, I-56127 Pisa, Italy. [Lusiani, A.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Smith, A. J. S.] Princeton Univ, Princeton, NJ 08544 USA. [Anulli, F.; Faccini, R.; Ferrarotto, F.; Ferroni, F.; Pilloni, A.; Piredda, G.] Ist Nazl Fis Nucl, Sez Roma, I-00185 Rome, Italy. [Faccini, R.; Ferroni, F.; Pilloni, A.] Univ Roma La Sapienza, Dipartmento Fis, I-00185 Rome, Italy. [Buenger, C.; Dittrich, S.; Gruenberg, O.; Hess, M.; Leddig, T.; Voss, C.; Waldi, R.] Univ Rostock, D-18051 Rostock, Germany. [Adye, T.; Wilson, F. F.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Emery, S.] CEA, Irfu, SPP, Ctr Saclay, F-91191 Gif Sur Yvette, France. [Aston, D.; Cartaro, C.; Convery, M. R.; Dorfan, J.; Dunwoodie, W.; Ebert, M.; Field, R. C.; Fulsom, B. G.; Graham, M. T.; Hast, C.; Innes, W. R.; Kim, P.; Leith, D. W. G. S.; Luitz, S.; Luth, V.; MacFarlane, D. B.; Muller, D. R.; Neal, H.; Ratcliff, B. N.; Roodman, A.; Sullivan, M. K.; Va'vra, J.; Wisniewski, W. J.] SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. [Purohit, M. V.; Wilson, J. R.] Univ S Carolina, Columbia, SC 29208 USA. [Randle-Conde, A.; Sekula, S. J.] So Methodist Univ, Dallas, TX 75275 USA. [Bellis, M.; Burchat, P. R.; Puccio, E. M. T.] Stanford Univ, Stanford, CA 94305 USA. [Alam, M. S.; Ernst, J. A.] SUNY Albany, Albany, NY 12222 USA. [Gorodeisky, R.; Guttman, N.; Peimer, D. R.; Soffer, A.] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Spanier, S. M.] Univ Tennessee, Knoxville, TN 37996 USA. [Ritchie, J. L.; Schwitters, R. F.] Univ Texas Austin, Austin, TX 78712 USA. [Izen, J. M.; Lou, X. C.] Univ Texas Dallas, Richardson, TX 75083 USA. [Bianchi, F.; De Mori, F.; Filippi, A.; Gamba, D.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Bianchi, F.; De Mori, F.; Gamba, D.] Univ Turin, Dipartmento Fis, I-10125 Turin, Italy. [Lanceri, L.; Vitale, L.] Univ Trieste, Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Lanceri, L.; Vitale, L.] Univ Trieste, Dipartmento Fis, I-34127 Trieste, Italy. [Martinez-Vidal, F.; Oyanguren, A.] Univ Valencia, CSIC, IFIC, Valencia 46071, Spain. [Albert, J.; Beaulieu, A.; Bernlochner, F. U.; King, G. J.; Kowalewski, R.; Lueck, T.; Nugent, I. M.; Roney, J. M.; Shuve, B.; Tasneem, N.] Univ Victoria, Victoria, BC V8W 3P6, Canada. [Gershon, T. J.; Harrison, P. F.; Latham, T. E.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Prepost, R.; Wu, S. L.] Univ Wisconsin, Madison, WI 53706 USA. [Sun, L.] Wuhan Univ, Wuhan 43072, Peoples R China. [Patrignani, C.] Univ Bologna, I-47921 Rimini, Italy. [Patrignani, C.] Ist Nazl Fis Nucl, Sez Bologna, I-47921 Rimini, Italy. [Barlow, R. J.] Univ Huddersfield, Huddersfield HD1 3DH, W Yorkshire, England. [Godang, R.] Univ S Alabama, Mobile, AL 36688 USA. [Carpinelli, M.] Univ Sassari, I-07100 Sassari, Italy. RP Lees, JP (reprint author), Univ Savoie, CNRS IN2P3, LAPP, F-74941 Annecy Le Vieux, France. RI Di Lodovico, Francesca/L-9109-2016; bettarini, stefano/M-2502-2016; Patrignani, Claudia/C-5223-2009; Calcaterra, Alessandro/P-5260-2015; OI Di Lodovico, Francesca/0000-0003-3952-2175; Patrignani, Claudia/0000-0002-5882-1747; Calcaterra, Alessandro/0000-0003-2670-4826; Bettarini, Stefano/0000-0001-7742-2998; Barlow, Roger/0000-0002-8295-8612 FU BABAR; SLAC; US Department of Energy; National Science Foundation; Natural Sciences and Engineering Research Council (Canada); Commissariat a l'Energie Atomique (France); Institut National de Physique Nucleaire et de Physique des Particules (France); Bundesministerium fur Bildung und Forschung (Germany); Deutsche Forschungsgemeinschaft (Germany); Istituto Nazionale di Fisica Nucleare (Italy); Foundation for Fundamental Research on Matter (The Netherlands); Research Council of Norway; Ministry of Education and Science of the Russian Federation; Ministerio de Economia y Competitividad (Spain); Science and Technology Facilities Council (United Kingdom); Binational Science Foundation (U.S.-Israel); Marie-Curie IEF program (European Union); A. P. Sloan Foundation (USA) FX We thank Maxim Pospelov for helpful conversations. We are grateful for the extraordinary contributions of our PEP-II2 colleagues in achieving the excellent luminosity and machine conditions that have made this work possible. The success of this project also relies critically on the expertise and dedication of the computing organizations that support BABAR. The collaborating institutions wish to thank SLAC for its support and the kind hospitality extended to them. This work is supported by the US Department of Energy and National Science Foundation, the Natural Sciences and Engineering Research Council (Canada), the Commissariat a l'Energie Atomique and Institut National de Physique Nucleaire et de Physique des Particules (France), the Bundesministerium fur Bildung und Forschung and Deutsche Forschungsgemeinschaft (Germany), the Istituto Nazionale di Fisica Nucleare (Italy), the Foundation for Fundamental Research on Matter (The Netherlands), the Research Council of Norway, the Ministry of Education and Science of the Russian Federation, Ministerio de Economia y Competitividad (Spain), the Science and Technology Facilities Council (United Kingdom), and the Binational Science Foundation (U.S.-Israel). Individuals have received support from the Marie-Curie IEF program (European Union) and the A. P. Sloan Foundation (USA). NR 30 TC 2 Z9 2 U1 7 U2 14 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 19 PY 2016 VL 94 IS 1 AR 011102 DI 10.1103/PhysRevD.94.011102 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DR7WW UT WOS:000380111400001 ER PT J AU Weglarz-Tomczak, E Berlicki, L Pawelczak, M Nocek, B Joachimiak, A Mucha, A AF Weglarz-Tomczak, Ewelina Berlicki, Lukasz Pawelczak, Malgorzata Nocek, Boguslaw Joachimiak, Andrzej Mucha, Artur TI A structural insight into the P1-S1 binding mode of diaminoethylphosphonic and phosphinic acids, selective inhibitors of alanine aminopeptidases SO EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY LA English DT Article DE Metalloaminopeptidases; Aminopeptidase N; Neisseria meningitidis; Phosphonic and phosphinic acids; APN-inhibitor complex structures; S1 binding mode ID CHLORAMINE-T; ALPHA-AMINOALKYLPHOSPHONATES; NEUTRAL AMINOPEPTIDASES; LEUCINE AMINOPEPTIDASE; NEISSERIA-MENINGITIDIS; INTEGRATED APPROACH; CRYSTAL-STRUCTURE; NITROGEN-SOURCE; AZIRIDINATION; POTENT AB N'-substituted 1,2-diaminoethylphosphonic acids and 1,2-diaminoethylphosphinic dipeptides were explored to unveil the structural context of the unexpected selectivity of these inhibitors of M1 alanine aminopeptidases (APNs) versus M17 leucine aminopeptidase (IAP). The diaminophosphonic acids were obtained via aziridines in an improved synthetic procedure that was further expanded for the phosphinic pseudodipeptide system. The inhibitory activity, measured for three M1 and one M17 metal-loaminopeptidases of different sources (bacterial, human and porcine), revealed several potent compounds (e.g., K-i= 65 nM of 1u for HsAPN). Two structures of an M1 representative (APN from Neisseria meningitidis) in complex with N-benzyl-1,2-diaminoethylphosphonic acid and N-cyclohexyl-1,2-diaminoethylphosphonic acid were determined by the X-ray crystallography. The analysis of these structures and the models of the phosphonic acid complexes of the human ortholog provided an insight into the role of the additional amino group and the hydrophobic substituents of the ligands within the S1 active site region. 2016 Elsevier Masson SAS. All rights reserved. C1 [Weglarz-Tomczak, Ewelina; Berlicki, Lukasz; Mucha, Artur] Wroclaw Univ Technol, Dept Bioorgan Chem, Fac Chem, Wybrzeze Wyspianskiego 27, PL-50370 Wroclaw, Poland. [Pawelczak, Malgorzata] Univ Opole, Inst Chem, Oleska 48, PL-45052 Opole, Poland. [Nocek, Boguslaw; Joachimiak, Andrzej] Argonne Natl Lab, Midwest Ctr Struct Genom, 9700 S Cass Ave, Argonne, IL 60439 USA. [Nocek, Boguslaw; Joachimiak, Andrzej] Argonne Natl Lab, Struct Biol Ctr, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Mucha, A (reprint author), Wroclaw Univ Technol, Dept Bioorgan Chem, Fac Chem, Wybrzeze Wyspianskiego 27, PL-50370 Wroclaw, Poland. EM artur.mucha@pwr.edu.pl OI Berlicki, Lukasz/0000-0003-0318-4944; Weglarz-Tomczak, Ewelina/0000-0001-8080-2801 FU Polish Ministry of Science and Higher Education; Wroclaw Centre of Biotechnology, program The Leading National Research Centre (KNOW); Polish National Science Centre [UMO-2012/05/N/ST5/01145]; U.S. Department of Energy Office of Biological and Environmental Research program [DE-AC02-06CH11357]; National Institutes of Health [GM094585] FX The work was financed by a statutory activity subsidy from the Polish Ministry of Science and Higher Education for the Faculty of Chemistry of Wroclaw University of Technology, and by Wroclaw Centre of Biotechnology, program The Leading National Research Centre (KNOW) for years 2014-2018. Ewelina Weglarz-Tomczak was supported by a grant from the Polish National Science Centre (Grant UMO-2012/05/N/ST5/01145). The Biovia Discovery Studio package was used under a Polish country-wide license. The use of software resources (Biovia Discovery Studio program package) of the Wroclaw Centre for Networking and Supercomputing is also kindly acknowledged. The Structural Biology Center beamlines at APS are supported by the U.S. Department of Energy Office of Biological and Environmental Research program under Contract DE-AC02-06CH11357. The structural studies were performed at the Midwest Center for Structural Genomics supported by the National Institutes of Health Grant GM094585. We gratefully acknowledge Dr. M. Soroka for samples of N'-substituted diaminoethylphosphonic acids from MSJZ87 collection (compounds 1a, 1b, 1e, 1f, 1o, 1v and 1w). NR 39 TC 3 Z9 3 U1 7 U2 10 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 0223-5234 EI 1768-3254 J9 EUR J MED CHEM JI Eur. J. Med. Chem. PD JUL 19 PY 2016 VL 117 BP 187 EP 196 DI 10.1016/j.ejmech.2016.04.018 PG 10 WC Chemistry, Medicinal SC Pharmacology & Pharmacy GA DN1PL UT WOS:000376837800016 PM 27100031 ER PT J AU Wang, H Chen, Y Hood, ZD Sahu, G Pandian, AS Keum, JK An, K Liang, C AF Wang, Hui Chen, Yan Hood, Zachary D. Sahu, Gayatri Pandian, Amaresh Samuthira Keum, Jong Kahk An, Ke Liang, Chengdu TI An Air-Stable Na3SbS4 Superionic Conductor Prepared by a Rapid and Economic Synthetic Procedure SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE air-stable materials; hard and soft acid and base theory (HSAB); ionic conductivity; solid-state sodium batteries; synthesis ID GLASS-CERAMIC ELECTROLYTES; ROOM-TEMPERATURE; SODIUM BATTERIES; SCHLIPPES SALT; NEUTRON-DIFFRACTION; SOLID ELECTROLYTES; ENERGY-STORAGE; HYDROGEN-BONDS; X-RAY; NA AB All-solid-state sodium batteries, using solid electrolyte and abundant sodium resources, show great promise for safe, low-cost, and large-scale energy storage applications. The exploration of novel solid electrolytes is critical for the room temperature operation of all-solid-state Na batteries. An ideal solid electrolyte must have high ionic conductivity, hold outstanding chemical and electrochemical stability, and employ low-cost synthetic methods. Achieving the combination of these properties is a grand challenge for the synthesis of sulfide-based solid electrolytes. Design of the solid electrolyte Na3SbS4 is described, realizing excellent air stability and an economic synthesis based on hard and soft acid and base (HSAB) theory. This new solid electrolyte also exhibits a remarkably high ionic conductivity of 1 mS cm(-1) at 25 degrees C and ideal compatibility with a metallic sodium anode. C1 [Wang, Hui; Hood, Zachary D.; Sahu, Gayatri; Pandian, Amaresh Samuthira; Keum, Jong Kahk; Liang, Chengdu] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Chen, Yan; Keum, Jong Kahk; An, Ke] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA. [Hood, Zachary D.] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA. RP Liang, C (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM cd_liang@hotmail.com RI An, Ke/G-5226-2011; Chen, Yan/H-4913-2014; Keum, Jong/N-4412-2015 OI An, Ke/0000-0002-6093-429X; Chen, Yan/0000-0001-6095-1754; Keum, Jong/0000-0002-5529-1373 FU Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. DOE; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE; National Science Foundation [DGE-1148903]; Georgia Tech-ORNL Fellowship FX The synthesis and characterization portions of the research (H.W., A.S.P., J.K.K., Z.D.H.) were supported by the Center for Nanophase Materials Sciences in Oak Ridge National Laboratory (ORNL), which is a U.S. Department of Energy (DOE) office of Science User Facility. The theory and neutron scattering portions of the research (Y.C., G.S., K.A., C.L.) were sponsored by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. DOE. A portion of the research was carried out as a user project at the Spallation Neutron Source at ORNL, which is sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. DOE. Z.D.H. gratefully acknowledges the National Science Foundation for a Graduate Research Fellowship under Grant No. DGE-1148903 and the Georgia Tech-ORNL Fellowship. The authors thank Dr. Rui Peng and Dr. Zili Wu for their help with the Raman measurement. NR 29 TC 0 Z9 0 U1 24 U2 30 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 18 PY 2016 VL 55 IS 30 BP 8551 EP 8555 DI 10.1002/anie.201601546 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DV9IG UT WOS:000383253500008 PM 27246874 ER PT J AU Rosen, CB Kwant, RL MacDonald, JI Rao, M Francis, MB AF Rosen, Christian B. Kwant, Richard L. MacDonald, James I. Rao, Meera Francis, Matthew B. TI Capture and Recycling of Sortase A through Site-Specific Labeling with Lithocholic Acid SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE affinity separation; bioconjugation; cyclodextrins; enzyme recycling; protein modification ID MEDIATED LIGATION; PHOSPHOPANTETHEINYL TRANSFERASE; BETA-CYCLODEXTRIN; PROTEINS; PURIFICATION; BINDING; CELLS AB Enzyme-mediated protein modification often requires large amounts of biocatalyst, adding significant costs to the process and limiting industrial applications. Herein, we demonstrate a scalable and straightforward strategy for the efficient capture and recycling of enzymes using a small-molecule affinity tag. A proline variant of an evolved sortase A (SrtA 7M) was N-terminally labeled with lithocholic acid (LA)-an inexpensive bile acid that exhibits strong binding to beta-cyclodextrin (beta CD). Capture and recycling of the LA-Pro-SrtA 7M conjugate was achieved using beta CD-modified sepharose resin. The LA-Pro-SrtA 7M conjugate retained full enzymatic activity, even after multiple rounds of recycling. C1 [Rosen, Christian B.; Kwant, Richard L.; MacDonald, James I.; Rao, Meera; Francis, Matthew B.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Rosen, Christian B.; Kwant, Richard L.; MacDonald, James I.; Rao, Meera; Francis, Matthew B.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Francis, MB (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Francis, MB (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mbfrancis@berkeley.edu FU Energy Biosciences Institute at UC Berkeley; NSF [CHE-1413666]; Villum Kann Rasmussen Foundation; National Defense Science & Engineering Graduate (NDSEG) Fellowship; Berkeley Fellowship for Graduate Study; Berkeley Chemical Biology Graduate Program (National Research Service Award Training grant) [1 T32 GMO66698] FX This work was supported by the Energy Biosciences Institute at UC Berkeley and the NSF (CHE-1413666). C.B.R. was supported by the Villum Kann Rasmussen Foundation. R.L.K. was supported by a National Defense Science & Engineering Graduate (NDSEG) Fellowship and a Berkeley Fellowship for Graduate Study. J.I.M. was supported by the Berkeley Chemical Biology Graduate Program (National Research Service Award Training grant 1 T32 GMO66698). NR 41 TC 2 Z9 2 U1 12 U2 14 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 18 PY 2016 VL 55 IS 30 BP 8585 EP 8589 DI 10.1002/anie.201602353 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DV9IG UT WOS:000383253500015 PM 27239057 ER PT J AU Bloch, ED Queen, WL Hudson, MR Mason, JA Xiao, DJ Murray, LJ Flacau, R Brown, CM Long, JR AF Bloch, Eric D. Queen, Wendy L. Hudson, Matthew R. Mason, Jarad A. Xiao, Dianne J. Murray, Leslie J. Flacau, Roxana Brown, Craig M. Long, Jeffrey R. TI Hydrogen Storage and Selective, Reversible O-2 Adsorption in a Metal-Organic Framework with Open Chromium(II) Sites SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE air separation; chromium; metal-organic frameworks; neutron diffraction; superoxides ID IRON(II) COORDINATION SITES; CARBON-DIOXIDE CAPTURE; CHROMIUM(III)-SUPEROXO COMPLEX; DRUG-DELIVERY; HIGH-CAPACITY; LEWIS-ACID; CATALYSIS; BINDING; CO; SEPARATIONS AB A chromium(II)-based metal-organic framework Cr-3[(Cr4Cl)(3)(BTT)(8)](2) (Cr-BTT; BTT3 = 1,3,5-benzenetristetrazolate), featuring coordinatively unsaturated, redox-active Cr2+ cation sites, was synthesized and investigated for potential applications in H-2 storage and O-2 production. Low-pressure H-2 adsorption and neutron powder diffraction experiments reveal moderately strong Cr-H-2 interactions, in line with results from previously reported M-BTT frameworks. Notably, gas adsorption measurements also reveal excellent (2)/N-2 selectivity with substantial O-2 reversibility at room temperature, based on selective electron transfer to form Cr-III superoxide moieties. Infrared spectroscopy and powder neutron diffraction experiments were used to confirm this mechanism of selective O-2 binding. C1 [Bloch, Eric D.; Mason, Jarad A.; Xiao, Dianne J.; Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Queen, Wendy L.] EPFL, Inst Sci & Ingn Chim, CH-1051 Sion, Switzerland. [Hudson, Matthew R.; Brown, Craig M.] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Murray, Leslie J.] Univ Florida, Dept Chem, Gainesville, FL 32611 USA. [Flacau, Roxana] CNR, Chalk River Labs, Canadian Neutron Beam Ctr, Chalk River, ON K0J 1P0, Canada. [Brown, Craig M.] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. [Long, Jeffrey R.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Long, Jeffrey R.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA. RP Long, JR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA.; Long, JR (reprint author), Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA.; Long, JR (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA USA. EM jrlong@berkeley.edu RI Brown, Craig/B-5430-2009; OI Brown, Craig/0000-0002-9637-9355; Murray, Leslie/0000-0002-1568-958X; Queen, Wendy/0000-0002-8375-2341 FU Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001015]; Arkema; NIST/NRC; National Science Foundation FX This research was supported through the Center for Gas Separations Relevant to Clean Energy Technologies, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award DE-SC0001015. We thank Gerald K. Branch and Arkema for fellowship support of E.D.B., the NIST/NRC Fellowship program for support of M.R.H., the National Science Foundation for fellowship support of J.A.M. and D.J.X., and Dr. K. R. Meihaus for editorial assistance. NR 66 TC 4 Z9 4 U1 27 U2 33 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 18 PY 2016 VL 55 IS 30 BP 8605 EP 8609 DI 10.1002/anie.201602950 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DV9IG UT WOS:000383253500019 PM 27249784 ER PT J AU Wright, RAE Wang, KW Qu, J Zhao, B AF Wright, Roger A. E. Wang, Kewei Qu, Jun Zhao, Bin TI Oil-Soluble Polymer Brush Grafted Nanoparticles as Effective Lubricant Additives for Friction and Wear Reduction SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE friction reduction; lubricant additives; nanoparticles; polymer brushes; polymerization ID RADICAL POLYMERIZATION; TRIBOLOGICAL PROPERTIES; HAIRY NANOPARTICLES; ANTIWEAR MECHANISM; IONIC LIQUIDS; BEHAVIOR; NANOCOMPOSITE; PERFORMANCE; COPOLYMER; TIO2 AB The development of high performance lubricants has been driven by increasingly growing industrial demands and environmental concerns. Herein, we demonstrate oil-soluble polymer brush-grafted inorganic nanoparticles (hairy NPs) as highly effective lubricant additives for friction and wear reduction. A series of oil-miscible poly(lauryl methacrylate) brush-grafted silica and titania NPs were synthesized by surface-initiated atom transfer radical polymerization. These hairy NPs showed exceptional stability in poly(alphaolefin) (PAO) base oil; no change in transparency was observed after being kept at -20, 22, and 100 degrees C for >= 55 days. High-contact stress ball-on-flat reciprocating sliding tribological tests at 100 degrees C showed that addition of 1 wt% of hairy NPs into PAO led to significant reductions in coefficient of friction (up to approximate to 40%) and wear volume (up to approximate to 90%). The excellent lubricating properties of hairy NPs were further elucidated by the characterization of the tribofilm formed on the flat. These hairy NPs represent a new type of lubricating oil additives with high efficiency in friction and wear reduction. C1 [Wright, Roger A. E.; Wang, Kewei; Zhao, Bin] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. [Qu, Jun] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. RP Zhao, B (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA.; Qu, J (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37830 USA. EM qujn@ornl.gov; bzhao@utk.edu OI Qu, Jun/0000-0001-9466-3179 FU US Department of Energy, Office of Energy Efficiency and Renewable Energy, and Vehicle Technologies Office [DE EE0006925] FX The work was supported by a grant from US Department of Energy, Office of Energy Efficiency and Renewable Energy, and Vehicle Technologies Office (DE EE0006925). Electron microscopy was performed at the JIAM Microscopy Center of the University of Tennessee Knoxville. The authors thank Dr. John Dunlap for his assistance. William Barnhill and Austin Shaw from Oak Ridge National Laboratory are also appreciated for trainings on tribotesting and wear quantification. NR 40 TC 4 Z9 4 U1 18 U2 18 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 18 PY 2016 VL 55 IS 30 BP 8656 EP 8660 DI 10.1002/anie.201603663 PG 5 WC Chemistry, Multidisciplinary SC Chemistry GA DV9IG UT WOS:000383253500030 PM 27265613 ER PT J AU Chavez, DE Parrish, DA Mitchell, L AF Chavez, David E. Parrish, Damon A. Mitchell, Lauren TI Energetic Trinitro- and Fluorodinitroethyl Ethers of 1,2,4,5-Tetrazines SO ANGEWANDTE CHEMIE-INTERNATIONAL EDITION LA English DT Article DE energetic materials; fluorine; heterocycles; oxidation; structure determination ID S-TETRAZINES; ELEMENTAL FLUORINE; CHEMISTRY; ESTERS; DI AB Several new energetic ethyl ethers of 1,2,4,5-tetrazine have been synthesized. These molecules display good thermal stability, good oxygen balance, and high densities. Included in these studies are a 2,2,2-trinitroethoxy 1,2,4,5-tetrazine and two fluorodinitroethoxy 1,2,4,5-tetrazines. One of these compounds was converted into the di-N-oxide derivative. The sensitivity of these materials towards destructive stimuli was determined, and overall the materials show promising energetic performance properties. C1 [Chavez, David E.] Los Alamos Natl Lab, Div M, Los Alamos, NM 87545 USA. [Parrish, Damon A.] Naval Res Lab, Washington, DC 20375 USA. [Mitchell, Lauren] Dept Chem, Minneapolis, MN 55455 USA. RP Chavez, DE (reprint author), Los Alamos Natl Lab, Div M, Los Alamos, NM 87545 USA. EM dechavez@lanl.gov FU Joint Munitions Technology Development Program; U.S. Department of Energy [DE-AC52-06NA25396]; Office of Naval Research [N00014-11-AF-0-0002] FX We would like to thank Stephanie Hagelberg (elemental analysis) for characterization, Hongzhao Tian, Jose G. Archuleta (sensitivity testing), and Mary Sandstrom (thermal analysis). We would also like to thank the Joint Munitions Technology Development Program for funding this work. Los Alamos National Laboratory is operated by Los Alamos National Security (LANS, LLC) under contract No. DE-AC52-06NA25396 for the U.S. Department of Energy. We also thank the Office of Naval Research (Award No. N00014-11-AF-0-0002). NR 29 TC 2 Z9 2 U1 7 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1433-7851 EI 1521-3773 J9 ANGEW CHEM INT EDIT JI Angew. Chem.-Int. Edit. PD JUL 18 PY 2016 VL 55 IS 30 BP 8666 EP 8669 DI 10.1002/anie.201604115 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA DV9IG UT WOS:000383253500032 PM 27273564 ER PT J AU Walen, H Liu, DJ Oh, J Yang, HJ Kim, Y Thiel, PA AF Walen, Holly Liu, Da-Jiang Oh, Junepyo Yang, Hyun Jin Kim, Yousoo Thiel, Patricia A. TI Formation of Two-Dimensional Copper Selenide on Cu(111) at Very Low Selenium Coverage SO CHEMPHYSCHEM LA English DT Article DE chalcogenides; selenides; copper; density functional theory; scanning tunneling microscopy ID SCANNING TUNNELING MICROSCOPE; ATOMIC-SCALE STRUCTURE; CRYSTAL-STRUCTURE; OVERLAYERS; SURFACES; ENERGY; SE; NANOCLUSTERS; KLOCKMANNITE; TEMPERATURE AB Using scanning tunneling microscopy (STM), we observed that adsorption of Se on Cu(111) produced islands with a (root 3 x root 3)R30 degrees structure at Se coverages far below the structure's ideal coverage of 1/3 monolayer. On the basis of density functional theory (DFT), these islands cannot form due to attractive interactions between chemisorbed Se atoms. DFT showed that incorporating Cu atoms into the root 3-Se lattice stabilizes the structure, which provided a plausible explanation for the experimental observations. STM revealed three types of root 3 textures. We assigned two of these as two-dimensional layers of strained CuSe, analogous to dense planes of bulk klockmannite (CuSe). Klockmannite has a bulk lattice constant that is 11% shorter than root 3 times the surface lattice constant of Cu(111). This offers a rationale for the differences observed between these textures, for which strain limits the island size or distorts the root 3 lattice. STM showed that existing step edges adsorb Se and facet toward < 1 (2) over bar1 >, which is consistent with DFT. C1 [Walen, Holly; Thiel, Patricia A.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. [Liu, Da-Jiang; Thiel, Patricia A.] US DOE, Ames Lab, Ames, IA 50011 USA. [Oh, Junepyo; Yang, Hyun Jin; Kim, Yousoo] RIKEN, Surface & Interface Sci Lab, Wako, Saitama 3510198, Japan. [Thiel, Patricia A.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Walen, Holly] RIKEN, Surface & Interface Sci Lab, Wako, Saitama 3510198, Japan. [Yang, Hyun Jin] UCL, London WC1E 6BT, England. RP Thiel, PA (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA.; Thiel, PA (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA.; Thiel, PA (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM pthiel@iastate.edu RI Yang, Hyun Jin/C-3666-2011; OI Yang, Hyun Jin/0000-0001-8061-6179; OH, JUNEPYO/0000-0003-2452-3386 FU National Science Foundation (NSF) [CHE-1507223]; Ministry of Education, Culture, Sports, Science, and Technology (MEXT); Division of Chemical Sciences, Basic Energy Sciences, U.S. Department of Energy (DOE); U.S. DOE [DE-AC02-07CH11358]; Office of Science of the U.S. DOE [DE-AC02-05CH11231] FX The experimental component of this work was conducted or supervised by H.W., J.O., H.J.Y. Y.K., and P.A.T. with support from three sources. in the U.S., it was supported by the National Science Foundation (NSF) Grant CHE-1507223. In Japan, it was supported by a Grant-in-Aid for Scientific Research on Priority Areas "Electron Transport Through a Linked Molecule in Nano-scale" and by a Grant-in-Aid for Scientific Research(S) "Single Molecule Spectroscopy using Probe Microscope" from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT). The theoretical component of this work was conducted by D.J.L., with support from the Division of Chemical Sciences, Basic Energy Sciences, U.S. Department of Energy (DOE). The theoretical component of the research was performed at Ames Laboratory, which is operated for the U.S. DOE by Iowa State University under contract No. DE-AC02-07CH11358. This part also utilized resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-05CH11231. We thank Gordon J. Miller for providing insight into the structure of bulk klockmannite. NR 34 TC 0 Z9 0 U1 16 U2 16 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD JUL 18 PY 2016 VL 17 IS 14 BP 2137 EP 2145 DI 10.1002/cphc.201600207 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA DT0PV UT WOS:000381186400005 PM 27124261 ER PT J AU Baca, AG Armstrong, AM Allerman, AA Douglas, EA Sanchez, CA King, MP Coltrin, ME Fortune, TR Kaplar, RJ AF Baca, Albert G. Armstrong, Andrew M. Allerman, Andrew A. Douglas, Erica A. Sanchez, Carlos A. King, Michael P. Coltrin, Michael E. Fortune, Torben R. Kaplar, Robert J. TI An AlN/Al0.85Ga0.15N high electron mobility transistor SO APPLIED PHYSICS LETTERS LA English DT Article ID LEAKAGE CURRENT MECHANISMS; FIELD-EFFECT TRANSISTORS; MOLECULAR-BEAM EPITAXY; GATE-LEAKAGE; ALGAN/GAN HEMTS; SCHOTTKY CONTACTS; POWER DEVICES; GAN; SEMICONDUCTORS; OPERATION AB An AlN barrier high electron mobility transistor (HEMT) based on the AlN/Al0.85Ga0.15N heterostructure was grown, fabricated, and electrically characterized, thereby extending the range of Al composition and bandgap for AlGaN channel HEMTs. An etch and regrowth procedure was implemented for source and drain contact formation. A breakdown voltage of 810V was achieved without a gate insulator or field plate. Excellent gate leakage characteristics enabled a high I-on/I-off current ratio greater than 10 7 and an excellent subthreshold slope of 75 mV/decade. A large Schottky barrier height of 1.74 eV contributed to these results. The room temperature voltage-dependent 3-terminal off-state drain current was adequately modeled with Frenkel-Poole emission. Published by AIP Publishing. C1 [Baca, Albert G.; Armstrong, Andrew M.; Allerman, Andrew A.; Douglas, Erica A.; Sanchez, Carlos A.; King, Michael P.; Coltrin, Michael E.; Fortune, Torben R.; Kaplar, Robert J.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Baca, AG (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. FU Laboratory Directed Research and Development (LDRD) program at Sandia; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Jennifer Barrios, Karen Cross, and Vincent Abate for fabrication and materials support and Christopher Nordquist for fruitful discussions and for reviewing the manuscript. This work was supported by the Laboratory Directed Research and Development (LDRD) program at Sandia. 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 No. DE-AC04-94AL85000. NR 28 TC 4 Z9 4 U1 21 U2 24 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 18 PY 2016 VL 109 IS 3 AR 033509 DI 10.1063/1.4959179 PG 4 WC Physics, Applied SC Physics GA DT3MR UT WOS:000381385900071 ER PT J AU Gao, L Ding, XD Lookman, T Sun, J Salje, EKH AF Gao, Lei Ding, Xiangdong Lookman, Turab Sun, Jun Salje, E. K. H. TI Metastable phase transformation and hcp-omega transformation pathways in Ti and Zr under high hydrostatic pressures SO APPLIED PHYSICS LETTERS LA English DT Article ID SHOCK-LOADED ZIRCONIUM; ALPHA-PHASES; PURE ZR; TITANIUM; CRYSTALLOGRAPHY; TRANSITION; TEXTURE; ALLOYS; OXYGEN; METAL AB The energy landscape of Zr at high hydrostatic pressure suggests that its transformation behavior is strongly pressure dependent. This is in contrast to the known transition mechanism in Ti, which is essentially independent of hydrostatic pressure. Generalized solid-state nudged elastic band calculations at constant pressure shows that alpha-Zr transforms like Ti only at the lowest pressure inside the stability field of omega-phase. Different pathways apply at higher pressures where the energy landscape contains several high barriers so that metastable states are expected, including the appearance of a transient bcc phase at ca. 23GPa. The global driving force for the hcp-omega transition increases strongly with increasing pressure and reaches 23.7 meV/atom at 23GPa. Much of this energy relates to the excess volume of the hcp phase compared with its omega phase. (C) 2016 Author(s). C1 [Gao, Lei; Ding, Xiangdong; Sun, Jun; Salje, E. K. H.] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. [Lookman, Turab] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Salje, E. K. H.] Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England. RP Ding, XD; Salje, EKH (reprint author), Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.; Salje, EKH (reprint author), Univ Cambridge, Dept Earth Sci, Cambridge CB2 3EQ, England. EM dingxd@mail.xjtu.edu.cn; ekhard@esc.cam.ac.uk FU NSFC [51320105014, 51321003]; EPSRC [EP/K009702/1]; Leverhulme Trust [EM-2016-004] FX We are grateful to NSFC (51320105014, 51321003) for their support. EKHS is grateful to EPSRC (EP/K009702/1) and the Leverhulme Trust (EM-2016-004). NR 37 TC 0 Z9 0 U1 16 U2 18 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 18 PY 2016 VL 109 IS 3 AR 031912 DI 10.1063/1.4959864 PG 4 WC Physics, Applied SC Physics GA DT3MR UT WOS:000381385900027 ER PT J AU Gerakis, A Shneider, MN Stratton, BC AF Gerakis, A. Shneider, M. N. Stratton, B. C. TI Remote-sensing gas measurements with coherent Rayleigh-Brillouin scattering SO APPLIED PHYSICS LETTERS LA English DT Article ID INDUCED THERMAL ACOUSTICS; TEMPERATURE AB We measure the coherent Rayleigh-Brillouin scattering (CRBS) signal integral as a function of the recorded gas pressure in He, Co-2, SF6, and air, and we confirm the already established quadratic dependence of the signal on the gas density. We propose the use of CRBS as an effective diagnostic for the remote measurement of gas' density (pressure) and temperature, as well as polarizability, for gases of known composition. Published by AIP Publishing. C1 [Gerakis, A.; Stratton, B. C.] Princeton Plasma Phys Lab, 100 Stellarator Rd, Princeton, NJ 08540 USA. [Shneider, M. N.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08540 USA. RP Gerakis, A (reprint author), Princeton Plasma Phys Lab, 100 Stellarator Rd, Princeton, NJ 08540 USA. EM agerakis@pppl.gov OI Shneider, Mikhail/0000-0002-2925-7008 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division FX The authors would like to thank Dr. Y. Raitses and Dr. K. Hara of Princeton Plasma Physics Laboratory and Dr. A. Dogariu of Department of Mechanical and Aerospace Engineering, Princeton University for useful discussions. This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. The digital data for this paper can be found at http://arks.princeton.edu/ark:/88435/dsp01x920g025r. NR 22 TC 1 Z9 1 U1 3 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 18 PY 2016 VL 109 IS 3 AR 031112 DI 10.1063/1.4959778 PG 4 WC Physics, Applied SC Physics GA DT3MR UT WOS:000381385900012 ER PT J AU Kim, Y Lenert, A Meyhofer, E Reddy, P AF Kim, Youngsang Lenert, Andrej Meyhofer, Edgar Reddy, Pramod TI Temperature dependence of thermopower in molecular junctions SO APPLIED PHYSICS LETTERS LA English DT Article ID THERMOELECTRICITY; CONDUCTANCE; TRANSPORT; BENZENEDITHIOL; CHEMISTRY AB The thermoelectric properties of molecular junctions are of considerable interest due to their promise for efficient energy conversion. While the dependence of thermoelectric properties of junctions on molecular structure has been recently studied, their temperature dependence remains unexplored. Using a custom built variable temperature scanning tunneling microscope, we measured the thermopower and electrical conductance of individual benzenedithiol junctions over a range of temperatures (100K-300K). We find that while the electrical conductance is independent of temperature, the thermopower increases linearly with temperature, confirming the predictions of the Landauer theory. Published by AIP Publishing. C1 [Kim, Youngsang; Lenert, Andrej; Meyhofer, Edgar; Reddy, Pramod] Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. [Reddy, Pramod] Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. [Kim, Youngsang] Lawrence Berkeley Natl Lab, Joint Ctr Artificial Photosynth, Berkeley, CA 94720 USA. RP Meyhofer, E; Reddy, P (reprint author), Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA.; Reddy, P (reprint author), Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. EM meyhofer@umich.edu; pramodr@umich.edu OI Meyhofer, Edgar/0000-0001-5719-6030 FU U.S. Department of Energy Basic Energy Sciences through Scanning Probe Microscopy Division [DE-SC0004871]; Office of Naval Research [N00014-16-1-2672] FX We acknowledge support from the U.S. Department of Energy Basic Energy Sciences through a grant from the Scanning Probe Microscopy Division under Award No. DE-SC0004871 (measurements and analysis) and support from the Office of Naval Research under Grant Award No. N00014-16-1-2672 ( instrumentation). We thank Dr. Woochul Lee, Longji Cui, Dr. Wonho Jeong, and Dr. Yashar Ganjeh for useful discussions. NR 26 TC 2 Z9 2 U1 12 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 18 PY 2016 VL 109 IS 3 AR 033102 DI 10.1063/1.4958999 PG 4 WC Physics, Applied SC Physics GA DT3MR UT WOS:000381385900053 ER PT J AU Zastrau, U Gamboa, EJ Kraus, D Benage, JF Drake, RP Efthimion, P Falk, K Falcone, RW Fletcher, LB Galtier, E Gauthier, M Granados, E Hastings, JB Heimann, P Hill, K Keiter, PA Lu, J MacDonald, MJ Montgomery, DS Nagler, B Pablant, N Schropp, A Tobias, B Gericke, DO Glenzer, SH Lee, HJ AF Zastrau, U. Gamboa, E. J. Kraus, D. Benage, J. F. Drake, R. P. Efthimion, P. Falk, K. Falcone, R. W. Fletcher, L. B. Galtier, E. Gauthier, M. Granados, E. Hastings, J. B. Heimann, P. Hill, K. Keiter, P. A. Lu, J. MacDonald, M. J. Montgomery, D. S. Nagler, B. Pablant, N. Schropp, A. Tobias, B. Gericke, D. O. Glenzer, S. H. Lee, H. J. TI Tracking the density evolution in counter-propagating shock waves using imaging X-ray scattering SO APPLIED PHYSICS LETTERS LA English DT Article ID THOMSON SCATTERING; METAL TRANSITION; COMPRESSION; DEUTERIUM; DIAMOND; CARBON; MATTER AB We present results from time-resolved X-ray imaging and inelastic scattering on collective excitations. These data are then employed to infer the mass density evolution within laser-driven shock waves. In our experiments, thin carbon foils are first strongly compressed and then driven into a dense state by counter-propagating shock waves. The different measurements agree that the graphite sample is about twofold compressed when the shock waves collide, and a sharp increase in forward scattering indicates disassembly of the sample 1 ns thereafter. We can benchmark hydrodynamics simulations of colliding shock waves by the X-ray scattering methods employed. Published by AIP Publishing. C1 [Zastrau, U.] European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany. [Zastrau, U.; Gamboa, E. J.; Fletcher, L. B.; Galtier, E.; Gauthier, M.; Granados, E.; Hastings, J. B.; Heimann, P.; MacDonald, M. J.; Nagler, B.; Glenzer, S. H.; Lee, H. J.] SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. [Kraus, D.; Falcone, R. W.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Benage, J. F.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Benage, J. F.; Falk, K.; Montgomery, D. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Drake, R. P.; Keiter, P. A.; MacDonald, M. J.] Univ Michigan, Ann Arbor, MI 48109 USA. [Efthimion, P.; Hill, K.; Lu, J.; Pablant, N.; Tobias, B.] Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. [Falk, K.] ASCR, Inst Phys, ELI Beamlines, Prague 18221, Czech Republic. [Schropp, A.] Deutsch Elektronen Synchrotron DESY, Notkestr 85, D-22607 Hamburg, Germany. [Gericke, D. O.] Univ Warwick, Dept Phys, Ctr Fus Space & Astrophys, Coventry CV4 7AL, W Midlands, England. RP Zastrau, U (reprint author), European XFEL GmbH, Holzkoppel 4, D-22869 Schenefeld, Germany.; Zastrau, U (reprint author), SLAC Natl Accelerator Lab, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. EM ulf.zastrau@xfel.eu RI gauthier, Maxence/K-2578-2014; Falk, Katerina/D-2369-2017; OI gauthier, Maxence/0000-0001-6608-9325; Falk, Katerina/0000-0001-5975-776X; MacDonald, Michael/0000-0002-6295-6978 FU DOE Office of Science, Fusion Energy Science [SF00515]; Fusion Energy Sciences [FWP100182]; LCLS, a National User Facility; Volkswagen Foundation FX We thank D. A. Chapman and J. Vorberger for fruitful discussions and R. Curiel, B. Arnold, and Z. Xing for technical support. This work was performed at the Matter in Extreme Conditions (MEC) instrument of LCLS, supported by the DOE Office of Science, Fusion Energy Science, under Contract No. SF00515. This work was further supported by Fusion Energy Sciences FWP100182. This work was also supported by LCLS, a National User Facility operated by Stanford University on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. U.Z. and A.S. were supported by the Volkswagen Foundation. NR 23 TC 0 Z9 0 U1 6 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD JUL 18 PY 2016 VL 109 IS 3 AR 031108 DI 10.1063/1.4959256 PG 4 WC Physics, Applied SC Physics GA DT3MR UT WOS:000381385900008 ER PT J AU Myers, TW Snyder, CJ Chavez, DE Scharff, RJ Veauthier, JM AF Myers, Thomas W. Snyder, Christopher J. Chavez, David E. Scharff, R. Jason Veauthier, Jacqueline M. TI Synthesis and Electrochemical Behavior of Electron-Rich s-Tetrazine and Triazolo-tetrazine Nitrate Esters SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE electrochemistry; explosives; nitrate esters; nitrogen heterocycles; tetrazine ID ENERGETIC MATERIALS; EXPLOSIVE PROPERTIES; NITROGEN; COMBUSTION; REDUCTION; COMPLEXES; TNT AB We have prepared energetic nitrate ester derivatives of 1,2,4,5-tetrazine and 1,2,4-triazolo[4,3-b]-[1,2,4,5]-tetrazine ring systems as model compounds to study the electrochemical behavior of tetrazines in the presence of explosive groups. The model compounds showed lower thermal stabilities relative to PETN (pentaerythritol tetranitrate), but slightly improved mechanical sensitivities. The presence of electron-rich amine donors leads to a cathodic shift of the tetrazine redox potentials relative to those of previously reported tetrazine explosives. At these potentials, electron-rich tetrazines with either covalently bound or co-dissolved nitrate ester groups are irreversibly reduced. Effectively, changes in the electronic structure of tetrazines affect their electrochemical response to the presence of nitrate ester groups. Thus, it may be possible to develop tetrazine-based electrochemical sensors for the detection of specific explosives and electrocatalysts for their disposal. C1 [Myers, Thomas W.; Snyder, Christopher J.; Chavez, David E.; Scharff, R. Jason; Veauthier, Jacqueline M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Myers, TW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM twmyers@lanl.gov OI Scharff, Robert/0000-0002-1708-8964; Veauthier, Jacqueline/0000-0003-2206-7786 FU U.S. Department of Energy; National Nuclear Security Administration of the U.S. Department of Energy [DE-AC52-06A25396] FX We thank A. NR 45 TC 1 Z9 1 U1 3 U2 8 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PD JUL 18 PY 2016 VL 22 IS 30 BP 10590 EP 10596 DI 10.1002/chem.201601422 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA DS0GK UT WOS:000380273300040 PM 27345624 ER PT J AU Neuman, EW Hilmas, GE Fahrenholtz, WG AF Neuman, Eric W. Hilmas, Gregory E. Fahrenholtz, William G. TI Processing, microstructure, and mechanical properties of large-grained zirconium diboride ceramics SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE UHTCs; Zirconium diboride; Hot-pressing; Mechanical properties; Failure analysis ID ZRB2-BASED COMPOSITES; BORON-CARBIDE; DENSIFICATION; STRENGTH; CARBON; ZRB2; ADDITIONS; OXYGEN AB Zirconium diboride ceramics produced using commercial ZrB2 powders, and milled with zirconium diboride grinding media, were fabricated by hot-pressing at temperatures of 2100-2200 degrees C with hold times of 30-120 min. This ZrB2 exhibits no additional impurities typically introduced by milling with grinding media of differing composition. Microstructure analysis revealed grain sizes ranging from similar to 25 to similar to 50 mu m along with similar to 3 vol% porosity. Flexure strength ranged from 335 to 400 MPa, elastic modulus from 490 to 510 GPa, fracture toughness from 2.7 to 3.2 MPa m(1/2), and hardness from 13.0 to 14.4 GPa. Strength limiting flaws were identified as surface grain pullout induced by machining. Elastic modulus and hardness were found to increase with decreasing porosity. Compared to the fine grained ceramics typically reported, large grain zirconium diboride ceramics exhibit higher than expected room temperature strengths. (C) 2016 Elsevier B.V. All rights reserved. C1 [Neuman, Eric W.; Hilmas, Gregory E.; Fahrenholtz, William G.] Missouri Univ Sci & Technol, Dept Mat Sci & Engn, Rolla, MO 65409 USA. [Neuman, Eric W.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Hilmas, GE (reprint author), Missouri Univ Sci & Technol, Dept Mat Sci & Engn, Rolla, MO 65409 USA. EM ghilmas@mst.edu FU High Temperature Aerospace Materials Program at the Air Force Office of Scientific Research [FA9550-09-1-0168] FX The authors would like to thank Lucas Showalter, Conner Wittmaier, and John Tomaszewski for their assistance with the production of the ZrB2 grinding media, and specimen preparation. We would also like to the Advanced Materials Characterization Laboratory at Missouri S&T for their assistance with specimen characterization. Research at Missouri S&T was supported by the High Temperature Aerospace Materials Program (Dr. Ali Sayir, program manager) at the Air Force Office of Scientific Research through Grant FA9550-09-1-0168. NR 31 TC 0 Z9 0 U1 7 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 EI 1873-4936 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD JUL 18 PY 2016 VL 670 BP 196 EP 204 DI 10.1016/j.msea.2016.06.017 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA DR7KP UT WOS:000380078800024 ER PT J AU Gee, LB Lin, CY Jenney, FE Adams, MWW Yoda, Y Masuda, R Saito, M Kobayashi, Y Tamasaku, K Lerche, M Seto, M Riordan, CG Ploskonka, A Power, PP Cramer, SP Lauterbach, L AF Gee, Leland B. Lin, Chun-Yi Jenney, Francis E., Jr. Adams, Michael W. W. Yoda, Yoshitaka Masuda, Ryo Saito, Makina Kobayashi, Yasuhiro Tamasaku, Kenji Lerche, Michael Seto, Makoto Riordan, Charles G. Ploskonka, Ann Power, Philip P. Cramer, Stephen P. Lauterbach, Lars TI Synchrotron-based Nickel Mossbauer Spectroscopy SO INORGANIC CHEMISTRY LA English DT Article ID SUBSTITUTED RUBREDOXIN; AMIDO COMPLEXES; HYPERFINE INTERACTION; LONG UNDULATOR; NUCLEAR; RADIATION; NI-61; SPRING-8; 2-COORDINATE; DESULFOREDOXIN AB We used a novel experimental setup to conduct the first synchrotron-based Ni-61 Mossbauer spectroscopy measurements in the energy domain on Ni coordination complexes and metalloproteins. A representative set of samples was chosen to demonstrate the potential of this approach. (NiCr2O4)-Ni-61 was examined as a case with strong Zeeman splittings. Simulations of the spectra yielded an internal magnetic field of 44.6 T, consistent with previous work by the traditional 61Ni Mossbauer approach with a radioactive source. A linear Ni amido complex, (NI)-N-61{N(SiMe3)Dipp}(2), where Dipp = C6H3-2,6-Pr-i(2), was chosen as a sample with an "extreme" gerimetry and large quadrupole splitting. Finally, to demonstrate the feasibility of metalloprotein studies using synchrotron-based 61Ni Mossbauer spectroscopy, we examined the spectra of Ni-61-substituted rubredoxin in reduced and oxidized forms, along with [Et4N](2)[Ni-61(SPh)(4)] as a model compound. For each of the above samples, a reasonable spectrum could be obtained in similar to 1 d. Given that there is still room for considerable improvement in experimental sensitivity, synchrotron based Ni-61 Mossbauer spectroscopy appears to be a promising alternative to measurements with radioactive sources. C1 [Gee, Leland B.; Lin, Chun-Yi; Lerche, Michael; Power, Philip P.; Cramer, Stephen P.; Lauterbach, Lars] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Jenney, Francis E., Jr.; Adams, Michael W. W.] Philadelphia Coll Osteopath Med, Georgia Campus, Suwanee, GA 30024 USA. [Yoda, Yoshitaka] Japan Synchrotron Radiat Res Inst JASRI, SPring-8,1-1-1 Kouto, Sayo, Hyogo 6795198, Japan. [Masuda, Ryo; Saito, Makina; Kobayashi, Yasuhiro; Seto, Makoto] Kyoto Univ, Inst Res Reactor, Kumatori, Osaka 5900494, Japan. [Tamasaku, Kenji] RIKEN SPring 8 Ctr, SR Mat Sci Inst Unit, 1-1-1 Kouto, Sayo, Hyogo 6795148, Japan. [Seto, Makoto] Japan Atom Energy Agcy, Mikazuki, Hyogo 6795148, Japan. [Riordan, Charles G.; Ploskonka, Ann] Univ Delaware, Dept Chem & Biochem, Newark, DC 19716 USA. [Cramer, Stephen P.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Lauterbach, Lars] Tech Univ Berlin, Dept Chem, Str 17 Juni 135, D-10623 Berlin, Germany. RP Cramer, SP (reprint author), Univ Calif Davis, Dept Chem, Davis, CA 95616 USA.; Cramer, SP (reprint author), Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM spjcramer@ucdavis.edu RI Lauterbach, Lars/L-6671-2014; OI Lauterbach, Lars/0000-0002-6601-6473; Lin, Chun-Yi/0000-0002-4464-5076 FU National Institutes of Health [GM-65440]; National Science Foundation [CHE-1112035, CHE-1263760]; Deutsche Forschungsgemeinschaft (DFG, Cluster of Excellence UniCat); U.S. Department of Energy, Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences [DE-FG05-95ER20175]; PCOM; JSPS KAKENHI [24221005] FX This work was supported by the National Institutes of Health (Grant No. GM-65440 to S.P.C), the National Science Foundation (Grant No. CHE-1112035 to C.G.R. and Grant No. CHE-1263760 to P.P.P), and the Deutsche Forschungsgemeinschaft (DFG, Cluster of Excellence UniCat to L.L). Preparation of Ni-rubredoxin samples was supported by the U.S. Department of Energy, Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (DE-FG05-95ER20175 to M.W.WA). Additional support came from PCOM (to F.EJ), and JSPS KAKENHI (Grant No. 24221005 to M.S). The 61Ni Mossbauer experiments were performed at BL09XU and BL19LXU of SPring-8 with the approval JASRI and RIKEN (Proposal Nos. 2014A1384, 2014B1047, 2015BI175, and 2015B0103). We thank E. Wile and S. Kauzlarich for assistance in the preparation of 61NiCr2O4. We thank Z. Klencsar for assistance with MossWinn. NR 60 TC 0 Z9 0 U1 14 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUL 18 PY 2016 VL 55 IS 14 BP 6866 EP 6872 DI 10.1021/acs.inorgchem.5b03004 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DR8XJ UT WOS:000380181400011 PM 27387959 ER PT J AU Johnstone, EV Poineau, F Todorova, TK Forster, PM Sorensen, LK Galvan, IF Lindh, R Czerwinski, KR Sattelberger, AP AF Johnstone, Erik V. Poineau, Frederic Todorova, Tanya K. Forster, Paul M. Sorensen, Lasse K. Galvan, Ignacio Fdez Lindh, Roland Czerwinski, Kenneth R. Sattelberger, Alfred P. TI Molecular and Electronic Structure of Re2Br4(PMe3)(4) SO INORGANIC CHEMISTRY LA English DT Article ID 2ND-ORDER PERTURBATION-THEORY; TRANSITION-METAL ATOMS; TERTIARY PHOSPHINES; COMPLEX HALIDES; BONDED DIMERS; TRIPLE BONDS; BR; CL; OCTACHLORODIRHENATE(III); RE2CL4(PR3)4 AB The dinuclear rhenium(II) complex Re2Br4(PMe3)(4) was prepared from the reduction of [Re2Br8](2-) with (n-Bu4N)BH4 in the presence of PMe3 in propanol. The complex was characterized by single-crystal X-ray diffraction (SCXRD) and UV-visible spectroscopy. It crystallizes in the monoclinic C2/c space group and is isostructural with its molybdenum and technetium analogues. The Re-Re distance (2.2521(3) angstrom) is slightly longer than the one in Re2Cl4(PMe3)(4) (2.247(1) angstrom). The molecular and electronic structure of Re2X4(PMe3)(4) (X = Cl, Br) were studied by multiconfigurational quantum chemical methods. The computed ground-state geometry is in excellent agreement with the experimental structure determined by SCXRD. The calculated total bond order (2.75) is consistent with the presence of an electron-rich triple bond and is similar to the one found for Re2Cl4(PMe3)(4). The electronic absorption spectrum of Re2Br4(PMe3)(4) was recorded in benzene and shows a series of low-intensity bands in the range 10 000-26 000 cm(-1). The absorption bands were assigned based on calculations of the excitation energies with the multireference wave functions followed by second-order perturbation theory using the CASSCF/CASPT2 method. Calculations predict that the lowest energy band corresponds to the delta* -> sigma* transition, while the next higher energy bands were attributed to the delta* -> pi*, delta -> sigma*, and delta -> pi* transitions. C1 [Johnstone, Erik V.; Poineau, Frederic; Forster, Paul M.; Czerwinski, Kenneth R.; Sattelberger, Alfred P.] Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. [Todorova, Tanya K.] UPMC, CNRS, Coll France, Lab Chim Proc Biol,UMR 8229, 11 Pl Marcelin Berthelot, F-75231 Paris 05, France. [Sorensen, Lasse K.; Galvan, Ignacio Fdez; Lindh, Roland] Uppsala Univ, Dept Chem, Angstrom Lab, SE-75120 Uppsala, Sweden. [Galvan, Ignacio Fdez; Lindh, Roland] Uppsala Univ, Uppsala Ctr Computat Chem UC3, SE-75120 Uppsala, Sweden. [Sattelberger, Alfred P.] Argonne Natl Lab, Argonne, IL 60439 USA. [Johnstone, Erik V.] Univ Sheffield, Dept Mat Sci & Engn, Sheffield S1 3JD, S Yorkshire, England. RP Johnstone, EV (reprint author), Univ Nevada, Dept Chem, Las Vegas, NV 89154 USA. EM E.johnstone@sheffield.ac.uk RI Lindh, Roland/F-3471-2012; Fernandez Galvan, Ignacio/H-4367-2013; Todorova, Tanya/M-1849-2013 OI Lindh, Roland/0000-0001-7567-8295; Fernandez Galvan, Ignacio/0000-0002-0684-7689; Todorova, Tanya/0000-0002-7731-6498 FU U.S. Department of Energy [47824B]; Swedish Research Council [2012-3910]; eSSENCE Project, Uppsala University; Knut and Alice Wallenberg Foundation [KAW-2013.0020] FX Funding for this research was provided by a SISGR grant from the U.S. Department of Energy under contract no. 47824B. R.L., I.F.G., and L.K.S. acknowledge financial support from the Swedish Research Council (Grant No. 2012-3910), the eSSENCE Project, Uppsala University, and the Knut and Alice Wallenberg Foundation (Grant No. KAW-2013.0020). NR 41 TC 0 Z9 0 U1 3 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUL 18 PY 2016 VL 55 IS 14 BP 7111 EP 7116 DI 10.1021/acs.inorgchem.6b01052 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DR8XJ UT WOS:000380181400039 PM 27387436 ER PT J AU Li, W Body, M Legein, C Borkiewicz, OJ Dambournet, D AF Li, Wei Body, Monique Legein, Christophe Borkiewicz, Olaf J. Dambournet, Damien TI Atomic Insights into Nanoparticle Formation of Hydroxyfluorinated Anatase Featuring Titanium Vacancies SO INORGANIC CHEMISTRY LA English DT Article ID CRYSTALS; DETECTOR; FACETS AB Anatase TiO2 with exposed highly reactive (001) surface is commonly prepared using solution-based synthesis in the presence of a fluorinating agent acting as a structure directing agent. Recently, the solvothermal reaction of titanium tetraisopropoxide in the presence of aqueous HF has resulted in the stabilization of an oxyhydroxyfluorinated anatase phase featuring cationic vacancies. In the present work, we have studied its formation mechanism, revealing a solid-state transformation of a highly defective anatase phase having a hydroxyfluoride composition that subsequently evolves through an oxolation reaction into an oxyhydroxyfluoride phase. Importantly, this work confirms that titanium alkoxide precursors can react with HF via a fluorolysis process yielding fluorinated molecular precursors, which further condense to produce new composition and structural features deviating from a well ordered anatase network. C1 [Li, Wei; Dambournet, Damien] UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 8234,PHENIX, F-75005 Paris, France. [Body, Monique; Legein, Christophe] Univ Maine, Univ Bretagne Loire, UMR CNRS 6283, IMMM, Ave Olivier Messiaen, F-72085 Le Mans 9, France. [Borkiewicz, Olaf J.] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. RP Dambournet, D (reprint author), UPMC Univ Paris 06, Sorbonne Univ, CNRS, UMR 8234,PHENIX, F-75005 Paris, France. EM damien.dambournet@upmc.fr RI Body, Monique/C-4720-2013; Legein, Christophe/B-3553-2008 OI Body, Monique/0000-0002-5895-3731; Legein, Christophe/0000-0001-7426-8817 FU People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme (FP7) under REA Grant [321879]; U.S. DOE [DE-AC02-06CH11357] FX The research leading to these results received funding from the People Programme (Marie Curie Actions) of the European Union's Seventh Framework Programme (FP7/2007-2013) under REA Grant Agreement [321879] (FLUOSYNES). S. Casale is acknowledged for HRTEM measurements. The work done at the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract DE-AC02-06CH11357. NR 25 TC 3 Z9 3 U1 10 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD JUL 18 PY 2016 VL 55 IS 14 BP 7182 EP 7187 DI 10.1021/acs.inorgchem.6b01259 PG 6 WC Chemistry, Inorganic & Nuclear SC Chemistry GA DR8XJ UT WOS:000380181400047 PM 27351834 ER PT J AU Hochberg, Y Lin, TY Zurek, KM AF Hochberg, Yonit Lin, Tongyan Zurek, Kathryn M. TI Detecting ultralight bosonic dark matter via absorption in superconductors SO PHYSICAL REVIEW D LA English DT Article ID CONSTRAINTS; BOUNDS; AL; MG AB Superconducting targets have recently been proposed for the direct detection of dark matter as light as a keV, via elastic scattering off conduction electrons in Cooper pairs. Detecting such light dark matter requires sensitivity to energies as small as the superconducting gap of O(meV). Here we show that these same superconducting devices can detect much lighter DM, of meV to eV mass, via dark matter absorption on a conduction electron, followed by emission of an athermal phonon. We demonstrate the power of this setup for relic kinetically mixed hidden photons, pseudoscalars, and scalars, showing that the reach can exceed current astrophysical and terrestrial constraints with only a moderate exposure. C1 [Hochberg, Yonit] Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. Univ Calif Berkeley, Berkeley Ctr Theoret Phys, Berkeley, CA 94720 USA. RP Hochberg, Y (reprint author), Lawrence Berkeley Natl Lab, Theoret Phys Grp, Berkeley, CA 94720 USA. FU U.S. National Science Foundation (NSF) [PHY-1002399]; U.S. Department of Energy (DOE) [DE-AC02-05CH11231]; NSF [PHY-1316783]; DOE [DE-AC02-05CH11231] FX We thank John Clarke, Adolfo Grushin, Roni Ilan, Maxim Pospelov, and Jakub Scholtz for useful discussions. Y. H. and K. Z. thank Matt Pyle and Yue Zhao for collaboration on their earlier work establishing superconductors as viable DM detectors. We thank Yue Zhao for comments on the manuscript. Y. H. is supported by the U.S. National Science Foundation (NSF) under Grant No. PHY-1002399. T. L. is supported by the U.S. Department of Energy (DOE) Award No. DE-AC02-05CH11231 and NSF Grant No. PHY-1316783. K. Z. is supported by the DOE under Award No. DE-AC02-05CH11231. NR 52 TC 1 Z9 1 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 18 PY 2016 VL 94 IS 1 AR 015019 DI 10.1103/PhysRevD.94.015019 PG 9 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DR7WS UT WOS:000380111000006 ER PT J AU Lees, JP Poireau, V Tisserand, V Grauges, E Palano, A Eigen, G Brown, DN Kolomensky, YG Koch, H Schroeder, T Hearty, C Mattison, TS McKenna, JA So, RY Blinov, VE Buzykaev, AR Druzhinin, VP Golubev, VB Kravchenko, EA Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Lankford, AJ Gary, JW Long, O Eisner, AM Lockman, WS Vazquez, WP Chao, DS Cheng, CH Echenard, B Flood, KT Hitlin, DG Kim, J Miyashita, TS Ongmongkolkul, P Porter, FC Rohrken, M Huard, Z Meadows, BT Pushpawela, BG Sokoloff, MD Sun, L Smith, JG Wagner, SR Bernard, D Verderi, M Bettoni, D Bozzi, C Calabrese, R Cibinetto, G Fioravanti, E Garzia, I Luppi, E Santoro, V Calcaterra, A De Sangro, R Finocchiaro, G Martellotti, S Patteri, P Peruzzi, IM Piccolo, M Zallo, A Passaggio, S Patrignani, C Bhuyan, B Mallik, U Chen, C Cochran, J Prell, S Ahmed, H Gritsan, AV Arnaud, N Davier, M Le Diberder, F Lutz, AM Wormser, G Lange, DJ Wright, DM Coleman, JP Gabathuler, E Hutchcroft, DE Payne, DJ Touramanis, C Bevan, AJ Di Lodovico, F Sacco, R Cowan, G Banerjee, S Brown, DN Davis, CL Denig, AG Fritsch, M Gradl, W Griessinger, K Hafner, A Schubert, KR Barlow, RJ Lafferty, GD Cenci, R Jawahery, A Roberts, DA Cowan, R Cheaib, R Robertson, SH Dey, B Neri, N Palombo, F Cremaldi, L Godang, R Summers, DJ Taras, P De Nardo, G Sciacca, C Raven, G Jessop, CP LoSecco, JM Honscheid, K Kass, R Gaz, A Margoni, M Posocco, M Rotondo, M Simi, G Simonetto, F Stroili, R Akar, S Ben-Haim, E Bomben, M Bonneaud, GR Calderini, G Chauveau, J Marchiori, G Ocariz, J Biasini, M Manoni, E Rossi, A Batignani, G Bettarini, S Carpinelli, M Casarosa, G Chrzaszcz, M Forti, F Giorgi, MA Lusiani, A Oberhof, B Paoloni, E Rama, M Rizzo, G Walsh, JJ Smith, AJS Anulli, F Faccini, R Ferrarotto, F Ferroni, F Pilloni, A Piredda, G Bunger, C Dittrich, S Grunberg, O He, M Leddig, T Vo, C Waldi, R Adye, T Wilson, FF Emery, S Vasseur, G Aston, D Cartaro, C Convery, MR Dorfan, J Dunwoodie, W Ebert, M Field, RC Fulsom, BG Graham, MT Hast, C Innes, WR Kim, P Leith, DWGS Luitz, S Luth, V MacFarlane, DB Muller, DR Neal, H Ratcliff, BN Roodman, A Sullivan, MK Vavra, J Wisniewski, WJ Purohit, MV Wilson, JR Randle-Conde, A Sekula, SJ Bellis, M Burchat, PR Puccio, EMT Alam, MS Ernst, JA Gorodeisky, R Guttman, N Peimer, DR Soffer, A Spanier, SM Ritchie, JL Schwitters, RF Izen, JM Lou, XC Bianchi, F De Mori, F Filippi, A Gamba, D Lanceri, L Vitale, L Martinez-Vidal, F Oyanguren, A Albert, J Beaulieu, A Bernlochner, FU King, GJ Kowalewski, R Lueck, T Nugent, IM Roney, JM Tasneem, N Gershon, TJ Harrison, PF Latham, TE Prepost, R Wu, SL AF Lees, J. P. Poireau, V. Tisserand, V. Grauges, E. Palano, A. Eigen, G. Brown, D. N. Kolomensky, Yu. G. Koch, H. Schroeder, T. Hearty, C. Mattison, T. S. McKenna, J. A. So, R. Y. Blinov, V. E. Buzykaev, A. R. Druzhinin, V. P. Golubev, V. B. Kravchenko, E. A. Onuchin, A. P. Serednyakov, S. I. Skovpen, Yu. I. Solodov, E. P. Todyshev, K. Yu. Lankford, A. J. Gary, J. W. Long, O. Eisner, A. M. Lockman, W. S. Vazquez, W. Panduro Chao, D. S. Cheng, C. H. Echenard, B. Flood, K. T. Hitlin, D. G. Kim, J. Miyashita, T. S. Ongmongkolkul, P. Porter, F. C. Roehrken, M. Huard, Z. Meadows, B. T. Pushpawela, B. G. Sokoloff, M. D. Sun, L. Smith, J. G. Wagner, S. R. Bernard, D. Verderi, M. Bettoni, D. Bozzi, C. Calabrese, R. Cibinetto, G. Fioravanti, E. Garzia, I. Luppi, E. Santoro, V. Calcaterra, A. De Sangro, R. Finocchiaro, G. Martellotti, S. Patteri, P. Peruzzi, I. M. Piccolo, M. Zallo, A. Passaggio, S. Patrignani, C. Bhuyan, B. Mallik, U. Chen, C. Cochran, J. Prell, S. Ahmed, H. Gritsan, A. V. Arnaud, N. Davier, M. Le Diberder, F. Lutz, A. M. Wormser, G. Lange, D. J. Wright, D. M. Coleman, J. P. Gabathuler, E. Hutchcroft, D. E. Payne, D. J. Touramanis, C. Bevan, A. J. Di Lodovico, F. Sacco, R. Cowan, G. Banerjee, Sw. Brown, D. N. Davis, C. L. Denig, A. G. Fritsch, M. Gradl, W. Griessinger, K. Hafner, A. Schubert, K. R. Barlow, R. J. Lafferty, G. D. Cenci, R. Jawahery, A. Roberts, D. A. Cowan, R. Cheaib, R. Robertson, S. H. Dey, B. Neri, N. Palombo, F. Cremaldi, L. Godang, R. Summers, D. J. Taras, P. De Nardo, G. Sciacca, C. Raven, G. Jessop, C. P. LoSecco, J. M. Honscheid, K. Kass, R. Gaz, A. Margoni, M. Posocco, M. Rotondo, M. Simi, G. Simonetto, F. Stroili, R. Akar, S. Ben-Haim, E. Bomben, M. Bonneaud, G. R. Calderini, G. Chauveau, J. Marchiori, G. Ocariz, J. Biasini, M. Manoni, E. Rossi, A. Batignani, G. Bettarini, S. Carpinelli, M. Casarosa, G. Chrzaszcz, M. Forti, F. Giorgi, M. A. Lusiani, A. Oberhof, B. Paoloni, E. Rama, M. Rizzo, G. Walsh, J. J. Smith, A. J. S. Anulli, F. Faccini, R. Ferrarotto, F. Ferroni, F. Pilloni, A. Piredda, G. Buenger, C. Dittrich, S. Gruenberg, O. He, M. Leddig, T. Vo, C. Waldi, R. Adye, T. Wilson, F. F. Emery, S. Vasseur, G. Aston, D. Cartaro, C. Convery, M. R. Dorfan, J. Dunwoodie, W. Ebert, M. Field, R. C. Fulsom, B. G. Graham, M. T. Hast, C. Innes, W. R. Kim, P. Leith, D. W. G. S. Luitz, S. Luth, V. MacFarlane, D. B. Muller, D. R. Neal, H. Ratcliff, B. N. Roodman, A. Sullivan, M. K. Vavra, J. Wisniewski, W. J. Purohit, M. V. Wilson, J. R. Randle-Conde, A. Sekula, S. J. Bellis, M. Burchat, P. R. Puccio, E. M. T. Alam, M. S. Ernst, J. A. Gorodeisky, R. Guttman, N. Peimer, D. R. Soffer, A. Spanier, S. M. Ritchie, J. L. Schwitters, R. F. Izen, J. M. Lou, X. C. Bianchi, F. De Mori, F. Filippi, A. Gamba, D. Lanceri, L. Vitale, L. Martinez-Vidal, F. Oyanguren, A. Albert, J. Beaulieu, A. Bernlochner, F. U. King, G. J. Kowalewski, R. Lueck, T. Nugent, I. M. Roney, J. M. Tasneem, N. Gershon, T. J. Harrison, P. F. Latham, T. E. Prepost, R. Wu, S. L. CA BaBar Collaboration TI Tests of CPT symmetry in B-0-(B)over-bar(0) mixing and in B-0 -> c(c)over-barK(0) decays SO PHYSICAL REVIEW D LA English DT Article ID BABAR DETECTOR; VIOLATION AB Using the eight time dependences e(-Gamma t)(1+C(i)cos Delta mt+S(i)sin Delta mt) for the decays Upsilon (4S) -> B-0(B) over bar (0) -> f(j)f(k), with the decay into a flavor-specific state f(j) = l(+/-)X before or after the decay into a CP eigenstate f(k) = c (c) over barK(S,L), as measured by the BABAR experiment, we determine the three CPT-sensitive parameters Re(z) and Im(z) in B-0-(B) over bar (0) mixing and vertical bar(A) over bar /A vertical bar in B-0 -> c (c) over barK(0) decays. We find Im(z) = 0.010 +/- 0.030 +/- 0.013, Re(z) = -0.065 +/- 0.028 +/- 0.014, and vertical bar(A) over bar /A vertical bar = 0.999 +/- 0.023 +/- 0.017, in agreement with CPT symmetry. C1 [Lees, J. P.; Calcaterra, A.; Gaz, A.; Filippi, A.; Beaulieu, A.] Univ Savoie, CNRS IN2P3, LAPP, F-74941 Annecy Le Vieux, France. [Calcaterra, A.; Hafner, A.; Beaulieu, A.] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. [Calcaterra, A.; Lusiani, A.; Filippi, A.; Beaulieu, A.] Univ Bari, INFN, Sez Bari, I-70126 Bari, Italy. [Calcaterra, A.; Filippi, A.; Oyanguren, A.; Beaulieu, A.] Univ Bari, Dipartimento Fis, I-70126 Bari, Italy. [Lankford, A. J.; Calcaterra, A.; Beaulieu, A.] Univ Bergen, Inst Phys, N-5007 Bergen, Norway. [Hitlin, D. G.; Calcaterra, A.; Davis, C. L.; Hast, C.; Filippi, A.; Beaulieu, A.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dey, B.; Simi, G.; Calderini, G.; Beaulieu, A.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Gradl, W.; Kass, R.; Luth, V.] Ruhr Univ Bochum, Inst Phys Expt, D-44780 Bochum, Germany. [Robertson, S. H.; Lanceri, L.] Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. [Sokoloff, M. D.; He, M.; Izen, J. M.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [So, R. Y.; Gradl, W.; Wu, S. L.] Novosibirsk State Tech Univ, Novosibirsk 630092, Russia. [Blinov, V. E.; Serednyakov, S. I.; Cenci, R.; Wu, S. L.] Univ Calif Irvine, Irvine, CA 92697 USA. [Blinov, V. E.; Druzhinin, V. P.; Vazquez, W. Panduro; Lou, X. C.; Gershon, T. J.] Univ Calif Riverside, Riverside, CA 92521 USA. [Golubev, V. B.; Innes, W. R.; Wisniewski, W. J.] Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. [Arnaud, N.; Emery, S.; Tasneem, N.] CALTECH, Pasadena, CA 91125 USA. [Eisner, A. M.; Ongmongkolkul, P.; Dunwoodie, W.; Wisniewski, W. J.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Tisserand, V.; Vazquez, W. Panduro; Field, R. C.] Univ Colorado, Boulder, CO 80309 USA. [De Sangro, R.; Patteri, P.; Cowan, R.; Kim, P.] Ecole Polytech, CNRS IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Luppi, E.; Lutz, A. M.; Bevan, A. J.; Luth, V.] Ist Nazl Fis Nucl, Sez Ferrara, I-44122 Ferrara, Italy. [Kolomensky, Yu. G.; Verderi, M.; Smith, A. J. S.; Beaulieu, A.] Ist Nazl Fis Nucl, Nazl Frascati Lab, I-00044 Frascati, Italy. [Kolomensky, Yu. G.; Druzhinin, V. P.; Emery, S.] Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. [Calcaterra, A.; Marchiori, G.; Beaulieu, A.] Indian Inst Technol Guwahati, Gauhati 781039, Assam, India. [Long, O.; Lockman, W. S.] Univ Iowa, Iowa City, IA 52242 USA. [Calabrese, R.; Leddig, T.; Adye, T.] Iowa State Univ, Ames, IA 50011 USA. [Blinov, V. E.; Serednyakov, S. I.; Chrzaszcz, M.] Jazan Univ, Dept Phys, Jazan 22822, Saudi Arabia. [Blinov, V. E.; Santoro, V.; Innes, W. R.] Johns Hopkins Univ, Baltimore, MD 21218 USA. [So, R. Y.; Lou, X. C.; Lueck, T.] IN2P3/ CNRS, Lab Accelerateur Lineaire, F-91898 Orsay, France. [Huard, Z.; Dunwoodie, W.; Innes, W. R.] Univ Paris 11, Ctr Sci Orsay, F-91898 Orsay, France. [Lockman, W. S.; Martellotti, S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Poireau, V.; Golubev, V. B.; Adye, T.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Innes, W. R.; Sekula, S. J.; Wu, S. L.] Queen Mary Univ London, London E1 4NS, England. [Schroeder, T.; Dunwoodie, W.; Gorodeisky, R.] Univ London, Royal Holloway & Bedford New Coll, Egham TW20 0EX, Surrey, England. [Robertson, S. H.; Faccini, R.; Lou, X. C.] Univ Louisville, Louisville, KY 40292 USA. [Lockman, W. S.; Innes, W. R.; Luth, V.] Johannes Gutenberg Univ Mainz, Inst Kernphys, D-55099 Mainz, Germany. [Poireau, V.; Serednyakov, S. I.; Calabrese, R.] Univ Manchester, Manchester M13 9PL, Lancs, England. [Calcaterra, A.; Barlow, R. J.; Filippi, A.; Beaulieu, A.] Univ Maryland, College Pk, MD 20742 USA. [Onuchin, A. P.; Echenard, B.; Gritsan, A. V.; Dey, B.] MIT, Nucl Sci Lab, Cambridge, MA 02139 USA. [Buzykaev, A. R.; Echenard, B.; Bhuyan, B.; Dey, B.] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Echenard, B.; Calcaterra, A.; Gritsan, A. V.; Dey, B.; Oberhof, B.; Fulsom, B. G.; Beaulieu, A.] INFN, Sez Milano, I-20133 Milan, Italy. [Buzykaev, A. R.; Echenard, B.; Calcaterra, A.; Bhuyan, B.; Oberhof, B.; Filippi, A.; Beaulieu, A.] Univ Milan, Dipartimento Fis, I-20133 Milan, Italy. [Buzykaev, A. R.; Echenard, B.; Calcaterra, A.; Bhuyan, B.; Lutz, A. M.; Gaz, A.; Filippi, A.; Beaulieu, A.] Univ Mississippi, University, MS 38677 USA. [Gradl, W.; Innes, W. R.; Lou, X. C.] Univ Montreal, Phys Particules, Montreal, PQ H3C 3J7, Canada. [Lueck, T.; Wu, S. L.] Univ Napoli Federico II, INFN, Sez Napoli, I-80126 Naples, Italy. [Buzykaev, A. R.; Onuchin, A. P.; Gritsan, A. V.; Lutz, A. M.; Beaulieu, A.] Univ Napoli Federico II, Dipartimento Sci Fis, I-80126 Naples, Italy. [Skovpen, Yu. I.; Lockman, W. S.; Gritsan, A. V.] NIKHEF, Natl Inst Nucl Phys & High Energy Phys, NL-1009 DB Amsterdam, Netherlands. [Martellotti, S.; Gradl, W.; Waldi, R.; Innes, W. R.] Notre Dame Univ, Notre Dame, IN 46556 USA. [Poireau, V.; Lockman, W. S.; Schwitters, R. F.] Ohio State Univ, Columbus, OH 43210 USA. [Buzykaev, A. R.; Lockman, W. S.; Emery, S.; Lou, X. C.] INFN, Sez Padova, I-35131 Padua, Italy. [Serednyakov, S. I.; Lockman, W. S.; Gradl, W.; Sullivan, M. K.] Univ Padua, Dipartimento Fis, I-35131 Padua, Italy. [De Sangro, R.; Patteri, P.; Barlow, R. J.; Kass, R.] Univ Paris 07, Univ Paris 06, IN2P3/ CNRS, Lab Phys Nucl & Hautes Energies, F-75252 Paris, France. [Lockman, W. S.; Bettarini, S.; Carpinelli, M.; Emery, S.] INFN, Sez Perugia, I-06123 Perugia, Italy. [Vazquez, W. Panduro] Univ Perugia, Dipartimento Fis, I-06123 Perugia, Italy. [Tisserand, V.; Kolomensky, Yu. G.] INFN, Sezione Pisa, I-56127 Pisa, Italy. [Wagner, S. R.; Santoro, V.] Univ Pisa, Dipartimento Fis, I-56127 Pisa, Italy. [Gritsan, A. V.; Bevan, A. J.; Dey, B.] Scuola Normale Super Pisa, I-56127 Pisa, Italy. [Poireau, V.; Smith, J. G.; Gradl, W.] Princeton Univ, Princeton, NJ 08544 USA. [Blinov, V. E.; Buzykaev, A. R.; Skovpen, Yu. I.] INFN, Sezione Roma, I-00185 Rome, Italy. [Huard, Z.; Dunwoodie, W.; Luth, V.] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy. [Serednyakov, S. I.; Banerjee, Sw.; Lou, X. C.] Univ Rostock, D-18051 Rostock, Germany. [Lockman, W. S.; Vazquez, W. Panduro] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Santoro, V.; Innes, W. R.] CEA, Irfu, SPP, Ctr Saclay, F-91191 Gif sur Yvette, France. [Dunwoodie, W.; Gershon, T. J.] SLAC Natl Accelerator Lab, Stanford, CA 94309 USA. [Tisserand, V.; Dunwoodie, W.; Sekula, S. J.; Gershon, T. J.] Univ S Carolina, Columbia, SC 29208 USA. [Luth, V.; Spanier, S. M.; Latham, T. E.] Southern Methodist Univ, Dallas, TX 75275 USA. [Blinov, V. E.; Martellotti, S.; Kim, P.] Stanford Univ, Stanford, CA 94305 USA. [Smith, A. J. S.; Innes, W. R.; Wu, S. L.] SUNY Albany, Albany, NY 12222 USA. [Solodov, E. P.; Banerjee, Sw.; Beaulieu, A.] Tel Aviv Univ, Sch Phys & Astron, IL-69978 Tel Aviv, Israel. [Blinov, V. E.; Neri, N.; Lueck, T.] Univ Tennessee, Knoxville, TN 37996 USA. [Mallik, U.; Wisniewski, W. J.; Wu, S. L.] Univ Texas Austin, Austin, TX 78712 USA. [Peruzzi, I. M.; Leddig, T.; Sekula, S. J.] Univ Texas Dallas, Richardson, TX 75083 USA. [Raven, G.; Sullivan, M. K.; Wisniewski, W. J.] INFN, Sezione Torino, I-10125 Turin, Italy. [Verderi, M.; Sacco, R.; Gradl, W.] Univ Torino, Dipartimento Fis, I-10125 Turin, Italy. [Piccolo, M.; Di Lodovico, F.; Gradl, W.] Univ Trieste, INFN, Sezione Trieste, I-34127 Trieste, Italy. [Barlow, R. J.; Cenci, R.; Emery, S.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Druzhinin, V. P.; Cenci, R.; Cheaib, R.] Univ Valencia, CSIC, IFIC, E-46071 Valencia, Spain. [Vazquez, W. Panduro; Lou, X. C.] Univ Victoria, Victoria, BC V8W 3P6, Canada. [Blinov, V. E.; Lou, X. C.] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. [Kowalewski, R.] Univ Wisconsin, Madison, WI 53706 USA. RP Lees, JP (reprint author), Univ Savoie, CNRS IN2P3, LAPP, F-74941 Annecy Le Vieux, France. RI Di Lodovico, Francesca/L-9109-2016; bettarini, stefano/M-2502-2016; Patrignani, Claudia/C-5223-2009; Calcaterra, Alessandro/P-5260-2015 OI Di Lodovico, Francesca/0000-0003-3952-2175; Patrignani, Claudia/0000-0002-5882-1747; Calcaterra, Alessandro/0000-0003-2670-4826 FU DOE (USA); NSF (USA); NSERC (Canada); CEA (France); CNRS-IN2P3 (France); BMBF (Germany); DFG (Germany); INFN (Italy); FOM (Netherlands); NFR (Norway); MES (Russia); MINECO (Spain); STFC (United Kingdom); BSF (USA-Israel); Marie Curie EIF (European Union); A. P. Sloan Foundation (USA); SLAC FX We thank H.-J. Gerber (ETH Zurich) and T. Ruf (CERN) for very useful discussions on T and CPT symmetry. We are grateful for the excellent luminosity and machine conditions provided by our PEP-II colleagues, and for the substantial dedicated effort from the computing organizations that support BABAR. The collaborating institutions thank SLAC for its support and kind hospitality. This work is supported by DOE and NSF (USA), NSERC (Canada), CEA and CNRS-IN2P3 (France), BMBF and DFG (Germany), INFN (Italy), FOM (Netherlands), NFR (Norway), MES (Russia), MINECO (Spain), STFC (United Kingdom), and BSF (USA-Israel). Individuals have received support from the Marie Curie EIF (European Union) and the A. P. Sloan Foundation (USA). NR 20 TC 1 Z9 1 U1 4 U2 9 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 18 PY 2016 VL 94 IS 1 AR 011101 DI 10.1103/PhysRevD.94.011101 PG 7 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DR7WS UT WOS:000380111000001 ER PT J AU Park, CS Kwon, YJ Adachi, I Aihara, H Asner, DM Aushev, T Babu, V Badhrees, I Bakich, AM Barberio, E Behera, P Bhardwaj, V Biswal, J Bonvicini, G Bozek, A Bracko, M Browder, TE Cervenkov, D Chekelian, V Chen, A Cheon, BG Chilikin, K Chistov, R Cho, K Chobanova, V Choi, Y Cinabro, D Dalseno, J Danilov, M Dash, N Dolezal, Z Dutta, D Eidelman, S Farhat, H Fast, JE Ferber, T Fulsom, BG Gaur, V Gabyshev, N Garmash, A Gillard, R Goh, YM Goldenzweig, P Grzymkowska, O Hara, T Hayasaka, K Hayashii, H Heck, M Hou, WS Iijima, T Inami, K Inguglia, G Ishikawa, A Itoh, R Iwasaki, Y Jaegle, I Jeon, HB Julius, T Kang, KH Kato, E Katrenko, P Kim, DY Kim, JB Kim, KT Kim, MJ Kim, SH Kinoshita, K Kodys, P Korpar, S Krizan, P Krokovny, P Kuzmin, A Lee, IS Li, CH Li, L Li, Y Gioi, LL Libby, J Liventsev, D Lubej, M Lukin, P Masuda, M Matvienko, D Miyabayashi, K Miyata, H Mizuk, R Mohanty, GB Mohanty, S Moll, A Moon, HK Mussa, R Nakano, E Nakao, M Nath, KJ Nayak, M Negishi, K Nisar, NK Nishida, S Ogawa, S Okuno, S Pakhlov, P Pakhlova, G Pal, B Park, CW Park, H Pedlar, TK Petric, M Piilonen, LE Pulvermacher, C Purohit, MV Rauch, J Ritter, M Rostomyan, A Ryu, S Sakai, Y Sandilya, S Santelj, L Sanuki, T Sato, Y Schluter, T Schneider, O Schnell, G Schwanda, C Schwartz, AJ Seino, Y Semmler, D Senyo, K Seon, O Sevior, ME Shebalin, V Shen, CP Shibata, TA Shiu, JG Shwartz, B Simon, F Sokolov, A Stanic, S Staric, M Stypula, J Sumiyoshi, T Tamponi, U Teramoto, Y Trabelsi, K Uchida, M Uglov, T Unno, Y Uno, S Urquijo, P Usov, Y Van Hulse, C Vanhoefer, P Varner, G Varvell, KE Wagner, MN Wang, CH Wang, MZ Wang, P Watanabe, Y Won, E Yamaoka, J Yashchenko, S Ye, H Yook, Y Yusa, Y Zhang, ZP Zhilich, V Zhulanov, V Zupanc, A AF Park, C-S. Kwon, Y-J. Adachi, I. Aihara, H. Asner, D. M. Aushev, T. Babu, V. Badhrees, I. Bakich, A. M. Barberio, E. Behera, P. Bhardwaj, V. Biswal, J. Bonvicini, G. Bozek, A. Bracko, M. Browder, T. E. Cervenkov, D. Chekelian, V. Chen, A. Cheon, B. G. Chilikin, K. Chistov, R. Cho, K. Chobanova, V. Choi, Y. Cinabro, D. Dalseno, J. Danilov, M. Dash, N. Dolezal, Z. Dutta, D. Eidelman, S. Farhat, H. Fast, J. E. Ferber, T. Fulsom, B. G. Gaur, V. Gabyshev, N. Garmash, A. Gillard, R. Goh, Y. M. Goldenzweig, P. Grzymkowska, O. Hara, T. Hayasaka, K. Hayashii, H. Heck, M. Hou, W-S. Iijima, T. Inami, K. Inguglia, G. Ishikawa, A. Itoh, R. Iwasaki, Y. Jaegle, I. Jeon, H. B. Julius, T. Kang, K. H. Kato, E. Katrenko, P. Kim, D. Y. Kim, J. B. Kim, K. T. Kim, M. J. Kim, S. H. Kinoshita, K. Kodys, P. Korpar, S. Krizan, P. Krokovny, P. Kuzmin, A. Lee, I. S. Li, C. H. Li, L. Li, Y. Gioi, L. Li Libby, J. Liventsev, D. Lubej, M. Lukin, P. Masuda, M. Matvienko, D. Miyabayashi, K. Miyata, H. Mizuk, R. Mohanty, G. B. Mohanty, S. Moll, A. Moon, H. K. Mussa, R. Nakano, E. Nakao, M. Nath, K. J. Nayak, M. Negishi, K. Nisar, N. K. Nishida, S. Ogawa, S. Okuno, S. Pakhlov, P. Pakhlova, G. Pal, B. Park, C. W. Park, H. Pedlar, T. K. Petric, M. Piilonen, L. E. Pulvermacher, C. Purohit, M. V. Rauch, J. Ritter, M. Rostomyan, A. Ryu, S. Sakai, Y. Sandilya, S. Santelj, L. Sanuki, T. Sato, Y. Schlueter, T. Schneider, O. Schnell, G. Schwanda, C. Schwartz, A. J. Seino, Y. Semmler, D. Senyo, K. Seon, O. Sevior, M. E. Shebalin, V. Shen, C. P. Shibata, T-A. Shiu, J-G. Shwartz, B. Simon, F. Sokolov, A. Stanic, S. Staric, M. Stypula, J. Sumiyoshi, T. Tamponi, U. Teramoto, Y. Trabelsi, K. Uchida, M. Uglov, T. Unno, Y. Uno, S. Urquijo, P. Usov, Y. Van Hulse, C. Vanhoefer, P. Varner, G. Varvell, K. E. Wagner, M. N. Wang, C. H. Wang, M-Z. Wang, P. Watanabe, Y. Won, E. Yamaoka, J. Yashchenko, S. Ye, H. Yook, Y. Yusa, Y. Zhang, Z. P. Zhilich, V. Zhulanov, V. Zupanc, A. CA Belle Collaboration TI Search for a massive invisible particle X-0 in B+ -> e(+)X(0) and B+ -> mu X-+(0) decays SO PHYSICAL REVIEW D LA English DT Article ID IDENTIFICATION; NEUTRINO; BELLE; KEKB AB We present a search for a non-Standard-Model invisible particle X-0 in the mass range 0.1-1.8 GeV/c(2) in B+ -> e(+)X(0) and B+ -> mu X-+(0) decays. The results are obtained from a 711 fb(-1) data sample that corresponds to 772 x 10(6) B (B) over bar pairs, collected at the Upsilon(4S) resonance with the Belle detector at the KEKB e(+)e(-) collider. One B meson is fully reconstructed in a hadronic mode to determine the momentum of the lepton of the signal decay in the rest frame of the recoiling partner B meson. We find no evidence of a signal and set upper limits on the order of 10(-6). C1 [Cervenkov, D.; Shwartz, B.; Wang, C. H.; Zhang, Z. P.] Aligarh Muslim Univ, Aligarh 202002, Uttar Pradesh, India. [Kwon, Y-J.; Tamponi, U.] Univ Basque Country, UPV EHU, Bilbao 48080, Spain. [Bhardwaj, V.; Yook, Y.; Yusa, Y.] Beihang Univ, Beijing 100191, Peoples R China. [Goh, Y. M.; Hara, T.] RAS, Budker Inst Nucl Phys, SB, Novosibirsk 630090, Russia. [Browder, T. E.; Hou, W-S.] Charles Univ Prague, Fac Math & Phys, Prague 12116, Czech Republic. [Pakhlova, G.; Park, C. W.; Zhang, Z. P.] Univ Cincinnati, Cincinnati, OH 45221 USA. [Choi, Y.; Ferber, T.; Yashchenko, S.] Deutsches Elektronen Synchrotron, D-22607 Hamburg, Germany. [Dolezal, Z.; Goh, Y. M.] Justus Liebig Univ Giessen, D-35392 Giessen, Germany. [Watanabe, Y.; Yusa, Y.] Grad Univ Adv Studies, SOKENDAI, Hayama 2400193, Japan. [Hayashii, H.; Jeon, H. B.] Hanyang Univ, Seoul 133791, South Korea. [Park, C-S.; Rostomyan, A.; Shen, C. P.] Univers Hawaii, Honolulu, HI 96822 USA. [Park, C-S.; Cervenkov, D.; Park, C. W.] High Energy Accelerator Res Org KEK, Tsukuba, Ibaraki 3050801, Japan. [Cervenkov, D.; Cinabro, D.; Van Hulse, C.] IKERBASQUE, Basque Fdn Sci, Bilbao 48013, Spain. [Park, C-S.; Cinabro, D.; Li, C. H.] Indian Inst Technol, Bhubaneswar 751007, Orissa, India. [Shen, C. P.; Yook, Y.] Indian Inst Technol, Gauhati 781039, Assam, India. [Kwon, Y-J.; Watanabe, Y.] Indian Inst Technol, Madras 600036, Tamil Nadu, India. [Bozek, A.; Chen, A.; Garmash, A.; Ishikawa, A.] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Liventsev, D.] Inst High Energy Phys, A-1050 Vienna, Austria. [Hayashii, H.; Schnell, G.; Ye, H.] Inst High Energy Phys, Protvino 142281, Russia. [Lee, I. S.; Ye, H.] INFN, Sezione Torino, I-10125 Turin, Italy. [Badhrees, I.; Ye, H.] J Stefan Inst, Ljubljana 1000, Slovenia. [Stypula, J.; Ye, H.] Kanagawa Univ, Yokohama, Kanagawa 2218686, Japan. [Adachi, I.; Ye, H.] Karlsruher Inst Technol, Inst Expt Kernphys, D-76131 Karlsruhe, Germany. [Farhat, H.; Moon, H. K.; Schnell, G.] King Abdulaziz City Sci & Technol, Riyadh 11442, Saudi Arabia. [Hayashii, H.; Park, H.; Varner, G.; Ye, H.] Korea Inst Sci & Technol Informat, Daejeon 305806, South Korea. [Bozek, A.; Chen, A.; Garmash, A.; Pal, B.; Won, E.] Korea Univ, Seoul 136713, South Korea. [Farhat, H.; Liventsev, D.] Kyungpook Natl Univ, Daegu 702701, South Korea. [Dutta, D.; Inami, K.; Nakano, E.] Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. [Biswal, J.; Park, H.; Varner, G.] Ludwig Maximilians Univ Munchen, D-80539 Munich, Germany. [Schnell, G.; Semmler, D.; Van Hulse, C.] Luther Coll, Decorah, IA 52101 USA. [Bozek, A.; Chen, A.; Garmash, A.; Ishikawa, A.; Park, C. W.] Univ Maribor, Maribor 2000, Slovenia. [Shen, C. P.] Max Planck Inst Phys & Astrophys, Munich, Germany. [Fulsom, B. G.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Park, C-S.] Moscow Phys Engn Inst, Moscow 115409, Russia. [Park, C. W.] Moscow Inst Phys & Technol, Moscow 141700, Russia. [Cervenkov, D.] Nagoya Univ, Grad Sch Sci, Nagoya, Aichi 4648602, Japan. [Shen, C. P.] Nagoya Univ, Kobayashi Maskawa Inst, Nagoya, Aichi 4648602, Japan. [Cheon, B. G.] Nara Womens Univ, Nara 6308506, Japan. [Li, C. H.] Natl Cent Univ, Chungli 32054, Taiwan. [Shwartz, B.] Natl United Univ, Miaoli 36003, Taiwan. [Zhang, Z. P.] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan. [Sokolov, A.] H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. [Zupanc, A.] Niigata Univ, Niigata 9502181, Japan. [Bozek, A.; Park, C. W.] Univ Nova Gorica, Nova Gorica 5000, Slovenia. [Schwartz, A. J.] Novosibirsk State Univ, Novosibirsk 630090, Russia. [Cheon, B. G.; Park, C. W.] Osaka City Univ, Osaka 5588585, Japan. [Bozek, A.; Chen, A.; Garmash, A.; Yamaoka, J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Shen, C. P.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Li, C. H.] Seoul Natl Univ, Seoul 151742, South Korea. [Cervenkov, D.; Park, C. W.; Shen, C. P.] Soongsil Univ, Seoul 156743, South Korea. [Kuzmin, A.] Univ S Carolina, Columbia, SC 29208 USA. [Rostomyan, A.] Sungkyunkwan Univ, Suwon 440746, South Korea. [Rostomyan, A.] Univ Sydney, Sch Phys, Sydney, NSW 2006, Australia. [Bakich, A. M.] Univ Tabuk, Fac Sci, Dept Phys, Tabuk 71451, Saudi Arabia. [Shwartz, B.] Tata Inst Fundamental Res, Mumbai 400005, Maharashtra, India. [Pulvermacher, C.] Tech Univ Munich, Excellence Cluster Univ, D-85748 Garching, Germany. [Pulvermacher, C.] Toho Univ, Funabashi, Chiba 2748510, Japan. [Pulvermacher, C.] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. [Li, C. H.] Univ Tokyo, Earthquake Res Inst, Tokyo 1130032, Japan. [Kim, S. H.] Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. [Aushev, T.] Tokyo Inst Technol, Tokyo 1528550, Japan. [Bozek, A.] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. [Usov, Y.] Univ Torino, I-10124 Turin, Italy. [Goh, Y. M.] Utkal Univ, Bhubaneswar 751004, Orissa, India. [Dolezal, Z.] Virginia Polytech Inst & State Univ, CNP, Blacksburg, VA 24061 USA. [Schlueter, T.; Uglov, T.] Wayne State Univ, Detroit, MI 48202 USA. [Garmash, A.; Seino, Y.; Teramoto, Y.] Yamagata Univ, Yamagata 9908560, Japan. [Park, C-S.; Korpar, S.; Park, C. W.; Park, H.; Yook, Y.] Yonsei Univ, Seoul 120749, South Korea. [Li, C. H.; Yook, Y.] Univ Ljubljana, Fac Math & Phys, Ljubljana 1000, Slovenia. RP Park, CS (reprint author), Yonsei Univ, Seoul 120749, South Korea. RI Aihara, Hiroaki/F-3854-2010; Danilov, Mikhail/C-5380-2014; Uglov, Timofey/B-2406-2014; Chilikin, Kirill/B-4402-2014; Chistov, Ruslan/B-4893-2014; Mizuk, Roman/B-3751-2014; Pakhlova, Galina/C-5378-2014; Pakhlov, Pavel/K-2158-2013; Cervenkov, Daniel/D-2884-2017; OI Aihara, Hiroaki/0000-0002-1907-5964; Danilov, Mikhail/0000-0001-9227-5164; Uglov, Timofey/0000-0002-4944-1830; Chilikin, Kirill/0000-0001-7620-2053; Chistov, Ruslan/0000-0003-1439-8390; Pakhlova, Galina/0000-0001-7518-3022; Pakhlov, Pavel/0000-0001-7426-4824; Cervenkov, Daniel/0000-0002-1865-741X; Inguglia, Gianluca/0000-0003-0331-8279 FU Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan; Japan Society for the Promotion of Science (JSPS); Tau-Lepton Physics Research Center of Nagoya University; Australian Research Council; Austrian Science Fund [P 227 42-N16, P 26794-N20]; National Natural Science Foundation of China [10575109, 10775142, 10875115, 11175 187, 11475187, 11575017]; Chinese Academy of Science Center for Excellence in Particle Physics; Ministry of Education, Youth and Sports of the Czech Republic [LG14034]; Carl Zeiss Foundation; Deutsche Forschungsgemeinschaft; Excellence Cluster Universe; VolkswagenStiftung; Department of Science and Technology of India; Istituto Nazionale di Fisica Nucleare of Italy; WCU program of the Ministry of Education, National Research Foundation (NRF) of Korea [2011-0029457, 2012-0008143, 2012R 1A1A2008330, 2013R1A1A3007772, 2014R1A 2A2A01005286, 2014R1A2A2A01002734, 201 5R1A2A2A01003280, 2015H1A2A1033649, 2016R1D1A1B01010135]; Center for Korean J-PARC Users [NRF-2013K1A3A7A06056592]; Brain Korea 21-Plus program; Radiation Science Research Institute; Polish Ministry of Science and Higher Education; National Science Center; Ministry of Education and Science of the Russian Federation; Russian Foundation for Basic Research; Slovenian Research Agency; Ikerbasque (Spain); Basque Foundation for Science (Spain); Euskal Herriko Unibertsitatea (UPV/EHU) (Spain) [UFI 11/55]; Swiss National Science Foundation; Ministry of Education; Ministry of Science and Technology of Taiwan; U.S. Department of Energy; National Science Foundation; MEXT; JSPS FX We thank the KEKB group for the excellent operation of the accelerator; the KEK cryogenics group for the efficient operation of the solenoid; and the KEK computer group, the National Institute of Informatics, and the PNNL/EMSL computing group for valuable computing and SINET4 network support. We acknowledge support from the Ministry of Education, Culture, Sports, Science, and Technology (MEXT) of Japan, the Japan Society for the Promotion of Science (JSPS), and the Tau-Lepton Physics Research Center of Nagoya University; the Australian Research Council; Austrian Science Fund under Grant No. P 227 42-N16 and No. P 26794-N20; the National Natural Science Foundation of China under Contracts No. 10575109, No. 10775142, No. 10875115, No. 11175 187, No. 11475187 and No. 11575017; the Chinese Academy of Science Center for Excellence in Particle Physics; the Ministry of Education, Youth and Sports of the Czech Republic under Contract No. LG14034; the Carl Zeiss Foundation, the Deutsche Forschungsgemeinschaft, the Excellence Cluster Universe, and the VolkswagenStiftung; the Department of Science and Technology of India; the Istituto Nazionale di Fisica Nucleare of Italy; the WCU program of the Ministry of Education, National Research Foundation (NRF) of Korea Grants No. 2011-0029457, No. 2012-0008143, No. 2012R 1A1A2008330, No. 2013R1A1A3007772, No. 2014R1A 2A2A01005286, No. 2014R1A2A2A01002734, No. 201 5R1A2A2A01003280, No. 2015H1A2A1033649, and No. 2016R1D1A1B01010135; Center for Korean J-PARC Users, No. NRF-2013K1A3A7A06056592; the Brain Korea 21-Plus program and Radiation Science Research Institute; the Polish Ministry of Science and Higher Education and the National Science Center; the Ministry of Education and Science of the Russian Federation and the Russian Foundation for Basic Research; the Slovenian Research Agency; Ikerbasque, Basque Foundation for Science and the Euskal Herriko Unibertsitatea (UPV/EHU) under program UFI 11/55 (Spain); the Swiss National Science Foundation; the Ministry of Education and the Ministry of Science and Technology of Taiwan; and the U.S. Department of Energy and the National Science Foundation. This work is supported by a Grant-in-Aid from MEXT for Science Research in a Priority Area ("New Development of Flavor Physics") and from JSPS for Creative Scientific Research ("Evolution of Tau-lepton Physics"). NR 25 TC 0 Z9 0 U1 2 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2470-0010 EI 2470-0029 J9 PHYS REV D JI Phys. Rev. D PD JUL 18 PY 2016 VL 94 IS 1 AR 012003 DI 10.1103/PhysRevD.94.012003 PG 8 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA DR7WS UT WOS:000380111000002 ER PT J AU Jones, RE Ward, DK AF Jones, R. E. Ward, D. K. TI Estimates of crystalline LiF thermal conductivity at high temperature and pressure by a Green-Kubo method SO PHYSICAL REVIEW B LA English DT Article ID STATISTICAL-MECHANICAL THEORY; ALKALI-HALIDE CRYSTALS; IRREVERSIBLE-PROCESSES; MOLECULAR-DYNAMICS; LITHIUM-FLUORIDE; THERMODYNAMIC PROPERTIES; RECIPROCAL RELATIONS; EXTREME CONDITIONS; CUBIC-CRYSTALS; STABILITY AB Given the unique optical properties of LiF, it is often used as an observation window in high-temperature and -pressure experiments; hence, estimates of its transmission properties are necessary to interpret observations. Since direct measurements of the thermal conductivity of LiF at the appropriate conditions are difficult, we resort to molecular simulation methods. Using an empirical potential validated against ab initio phonon density of states, we estimate the thermal conductivity of LiF at high temperatures (1000-4000 K) and pressures (100-400 GPa) with the Green-Kubo method. We also compare these estimates to those derived directly from ab initio data. To ascertain the correct phase of LiF at these extreme conditions, we calculate the (relative) phase stability of the B1 and B2 structures using a quasiharmonic ab initio model of the free energy. We also estimate the thermal conductivity of LiF in an uniaxial loading state that emulates initial stages of compression in high-stress ramp loading experiments and show the degree of anisotropy induced in the conductivity due to deformation. C1 [Jones, R. E.; Ward, D. K.] Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. RP Jones, RE (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM rjones@sandia.gov FU NNSA Advanced Simulation and Computing-Physics and Engineering Models program at Sandia National Laboratories; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX We thank Luke Shulenberger, Catalin Spataru, and Thomas Mattsson for helpful guidance and appreciate the use of LAMMPS [67], VASP [58], and PHONOPY [60]. This work was supported by the NNSA Advanced Simulation and Computing-Physics and Engineering Models program at Sandia National Laboratories. Sandia 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 No. DE-AC04-94AL85000. NR 93 TC 1 Z9 1 U1 8 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 18 PY 2016 VL 94 IS 1 AR 014309 DI 10.1103/PhysRevB.94.014309 PG 14 WC Physics, Condensed Matter SC Physics GA DR7RH UT WOS:000380096900002 ER PT J AU Mishra, R Kim, YM He, Q Huang, X Kim, SK Susner, MA Bhattacharya, A Fong, DD Pantelides, ST Borisevich, AY AF Mishra, Rohan Kim, Young-Min He, Qian Huang, Xing Kim, Seong Keun Susner, Michael A. Bhattacharya, Anand Fong, Dillon D. Pantelides, Sokrates T. Borisevich, Albina Y. TI Towards spin-polarized two-dimensional electron gas at a surface of an antiferromagnetic insulating oxide SO PHYSICAL REVIEW B LA English DT Article ID ENERGY-LOSS-SPECTROSCOPY; TRANSITION-METAL OXIDES; PEROVSKITE; SRTIO3; CRYSTAL; FILMS; RECONSTRUCTION; RESOLUTION; MICROSCOPY; PRINCIPLES AB The surfaces of transition-metal oxides with the perovskite structure are fertile grounds for the discovery of novel electronic and magnetic phenomena. In this article, we combine scanning transmission electron microscopy (STEM) with density functional theory (DFT) calculations to obtain the electronic and magnetic properties of the (001) surface of a (LaFeO3)(8)/(SrFeO3)(1) superlattice film capped with four layers of LaFeO3. Simultaneously acquired STEM images and electron-energy-loss spectra reveal the surface structure and a reduction in the oxidation state of iron from Fe3+ in the bulk to Fe2+ at the surface, extending over several atomic layers, which signals the presence of oxygen vacancies. The DFT calculations confirm the reduction in terms of oxygen vacancies and further demonstrate the stabilization of an exotic phase in which the surface layer is half metallic and ferromagnetic, while the bulk remains antiferromagnetic and insulating. Based on the calculations, we predict that the surface magnetism and conductivity can be controlled by tuning the partial pressure of oxygen. C1 [Mishra, Rohan; Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Mishra, Rohan; Kim, Young-Min; He, Qian; Susner, Michael A.; Pantelides, Sokrates T.; Borisevich, Albina Y.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Mishra, Rohan; Huang, Xing] Washington Univ, Dept Mech Engn & Mat Sci, St Louis, MO 63130 USA. [Mishra, Rohan; Huang, Xing] Washington Univ, Inst Mat Sci & Engn, St Louis, MO 63130 USA. [Kim, Young-Min] IBS, Ctr Integrated Nanostruct Phys, Suwon 16419, South Korea. [Kim, Young-Min] Sungkyunkwan Univ SKKU, Dept Energy Sci, Suwon 16419, South Korea. [Kim, Seong Keun; Bhattacharya, Anand; Fong, Dillon D.] Argonne Natl Lab, Mat Sci Div, Argonne, IL 60439 USA. [Kim, Seong Keun] Korea Inst Sci & Technol, Ctr Elect Mat, Seoul 02792, South Korea. [Bhattacharya, Anand] Argonne Natl Lab, Nano Sci & Technol Div, Argonne, IL 60439 USA. RP Mishra, R (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA.; Mishra, R (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA.; Mishra, R (reprint author), Washington Univ, Dept Mech Engn & Mat Sci, St Louis, MO 63130 USA.; Mishra, R (reprint author), Washington Univ, Inst Mat Sci & Engn, St Louis, MO 63130 USA. EM rmishra@wustl.edu RI Kim, Seong Keun/D-3809-2011; Mishra, Rohan/J-9127-2013; Bhattacharya, Anand/G-1645-2011; Kim, Young-Min/B-7338-2012; He, Qian/J-1277-2014 OI Kim, Seong Keun/0000-0001-8712-7167; Mishra, Rohan/0000-0003-1261-0087; Bhattacharya, Anand/0000-0002-6839-6860; Kim, Young-Min/0000-0003-3220-9004; FU U.S. Department of Energy (DOE) Office of Science, Office of Basic Energy Sciences (BES), Materials Science and Engineering Directorate; ORNL's Center for Nanophase Materials Sciences - Scientific User Facilities Division, Office of BES, U.S. DOE; Institute for Basic Science in Korea [IBS-R011-D1]; DOE [DE-FG02-09ER46554]; U.S. DOE, Office of BES, Materials Sciences and Engineering Division; U.S. DOE, Office of Science, Office of BES [DE-AC02-06CH11357]; Office of Science of the U.S. DOE [DE-AC02-05CH11231]; Extreme Science and Engineering Discovery Environment (XSEDE) - National Science Foundation [ACI-1053575] FX Work at ORNL was supported by the U.S. Department of Energy (DOE) Office of Science, Office of Basic Energy Sciences (BES), Materials Science and Engineering Directorate and through user projects supported by ORNL's Center for Nanophase Materials Sciences, which is sponsored by the Scientific User Facilities Division, Office of BES, U.S. DOE. Y.-M.K. was supported by the Institute for Basic Science (Grant No. IBS-R011-D1) in Korea. Work at Vanderbilt University is supported by DOE Grant No. DE-FG02-09ER46554. Work at ANL was supported by the U.S. DOE, Office of BES, Materials Sciences and Engineering Division. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. DOE, Office of Science, Office of BES, under Contract No. DE-AC02-06CH11357. This paper used computational resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. DOE under Contract No. DE-AC02-05CH11231, and the Extreme Science and Engineering Discovery Environment (XSEDE), which is supported by National Science Foundation Grant No. ACI-1053575. We thank JQ Yan for the Fe2+ sample. NR 69 TC 0 Z9 0 U1 23 U2 43 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 18 PY 2016 VL 94 IS 4 AR 045123 DI 10.1103/PhysRevB.94.045123 PG 8 WC Physics, Condensed Matter SC Physics GA DR7UD UT WOS:000380104300006 ER PT J AU Zhang, WL Sefat, AS Ding, H Richard, P Blumberg, G AF Zhang, W. -L. Sefat, Athena S. Ding, H. Richard, P. Blumberg, G. TI Stress-induced nematicity in EuFe2As2 studied by Raman spectroscopy SO PHYSICAL REVIEW B LA English DT Article ID TRANSITION; ANISOTROPY AB We use polarized Raman scattering to study the structural phase transition in EuFe2As2, the parent compound of the 122-ferropnictide superconductors. The in-plane lattice anisotropy is characterized by measurements of the side surface with different strains induced by different preparation methods. We show that while a fine surface polishing leaves the samples free of residual internal strain, in which case the onset of the C-4 symmetry breaking is observed at the nominal structural phase transition temperature T-S, cutting the side surface induces a permanent fourfold rotational symmetry breaking spanning tens of degrees above T-S. C1 [Zhang, W. -L.; Ding, H.; Richard, P.] Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. [Zhang, W. -L.; Ding, H.; Richard, P.] Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China. [Zhang, W. -L.; Blumberg, G.] Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. [Sefat, Athena S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Ding, H.; Richard, P.] Collaborat Innovat Ctr Quantum Matter, Beijing, Peoples R China. [Blumberg, G.] NICPB, Akad Tee 23, EE-12618 Tallinn, Estonia. RP Zhang, WL (reprint author), Chinese Acad Sci, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China.; Zhang, WL (reprint author), Chinese Acad Sci, Inst Phys, Beijing 100190, Peoples R China.; Zhang, WL (reprint author), Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. EM wlzhang@iphy.ac.cn; girsh@physics.rutgers.edu RI Richard, Pierre/F-7652-2010; Sefat, Athena/R-5457-2016 OI Richard, Pierre/0000-0003-0544-4551; Sefat, Athena/0000-0002-5596-3504 FU NSF [DMR-1104884]; ICAM (Institute for Complex Adaptive Matter) (NSF-IMI) [DMR-0844115]; MoST [2011CBA001001, 2015CB921301]; National Natural Science Foundation of China [11274362]; US Department of Energy, Basic Energy Sciences, and Division of Materials Sciences and Engineering [DE-SC0005463] FX W.-L.Z. acknowledges support from NSF (Grant No. DMR-1104884) and from ICAM (Institute for Complex Adaptive Matter) (NSF-IMI Grant No. DMR-0844115). P.R. and H.D. acknowledge MoST (Grants No. 2011CBA001001 and No. 2015CB921301) and National Natural Science Foundation of China (Grant No. 11274362) of China. A.S.S. and G.B. acknowledge the US Department of Energy, Basic Energy Sciences, and Division of Materials Sciences and Engineering under Awards to ORNL and Grant No. DE-SC0005463 correspondingly. NR 31 TC 0 Z9 0 U1 11 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9950 EI 2469-9969 J9 PHYS REV B JI Phys. Rev. B PD JUL 18 PY 2016 VL 94 IS 1 AR 014513 DI 10.1103/PhysRevB.94.014513 PG 5 WC Physics, Condensed Matter SC Physics GA DR7RH UT WOS:000380096900007 ER PT J AU O'Malley, PJJ Babbush, R Kivlichan, ID Romero, J McClean, JR Barends, R Kelly, J Roushan, P Tranter, A Ding, N Campbell, B Chen, Y Chen, Z Chiaro, B Dunsworth, A Fowler, AG Jeffrey, E Lucero, E Megrant, A Mutus, JY Neeley, M Neill, C Quintana, C Sank, D Vainsencher, A Wenner, J White, TC Coveney, PV Love, PJ Neven, H Aspuru-Guzik, A Martinis, JM AF O'Malley, P. J. J. Babbush, R. Kivlichan, I. D. Romero, J. McClean, J. R. Barends, R. Kelly, J. Roushan, P. Tranter, A. Ding, N. Campbell, B. Chen, Y. Chen, Z. Chiaro, B. Dunsworth, A. Fowler, A. G. Jeffrey, E. Lucero, E. Megrant, A. Mutus, J. Y. Neeley, M. Neill, C. Quintana, C. Sank, D. Vainsencher, A. Wenner, J. White, T. C. Coveney, P. V. Love, P. J. Neven, H. Aspuru-Guzik, A. Martinis, J. M. TI Scalable Quantum Simulation of Molecular Energies SO PHYSICAL REVIEW X LA English DT Article ID COUPLED-CLUSTER METHOD; SUPERCONDUCTING CIRCUIT; CHEMISTRY; COMPUTATION AB We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen using two distinct quantum algorithms. First, we experimentally execute the unitary coupled cluster method using the variational quantum eigensolver. Our efficient implementation predicts the correct dissociation energy to within chemical accuracy of the numerically exact result. Second, we experimentally demonstrate the canonical quantum algorithm for chemistry, which consists of Trotterization and quantum phase estimation. We compare the experimental performance of these approaches to show clear evidence that the variational quantum eigensolver is robust to certain errors. This error tolerance inspires hope that variational quantum simulations of classically intractable molecules may be viable in the near future. C1 [O'Malley, P. J. J.; Campbell, B.; Chen, Z.; Chiaro, B.; Dunsworth, A.; Neill, C.; Quintana, C.; Vainsencher, A.; Wenner, J.; Martinis, J. M.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Babbush, R.; Ding, N.; Neven, H.] Google Inc, Venice, CA 90291 USA. [Kivlichan, I. D.; Romero, J.; Aspuru-Guzik, A.] Harvard Univ, Dept Chem, Cambridge, MA 02138 USA. [McClean, J. R.] Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Barends, R.; Kelly, J.; Roushan, P.; Chen, Y.; Fowler, A. G.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J. Y.; Neeley, M.; Sank, D.; White, T. C.; Martinis, J. M.] Google Inc, Santa Barbara, CA 93117 USA. [Tranter, A.; Love, P. J.] Tufts Univ, Dept Phys, Medford, MA 02155 USA. [Tranter, A.; Coveney, P. V.] UCL, Ctr Computat Sci, London WC1H 0AJ, England. [Tranter, A.; Coveney, P. V.] UCL, Dept Chem, London WC1H 0AJ, England. RP O'Malley, PJJ; Martinis, JM (reprint author), Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA.; Babbush, R (reprint author), Google Inc, Venice, CA 90291 USA.; Martinis, JM (reprint author), Google Inc, Santa Barbara, CA 93117 USA. EM pomalley@physics.ucsb.edu; babbush@google.com; martinis@google.com FU Luis W. Alvarez fellowship; Air Force Office of Scientific Research [FA9550-12-1-0046]; Army Research Office [W911NF-15-1-0256]; Office of Naval Research [00014-16-1-2008]; National Science Foundation [PHY-0955518]; NSF FX The authors thank Cornelius Hempel for discussions regarding VQE. J. R. M. is supported by the Luis W. Alvarez fellowship in Computing Sciences at Lawrence Berkeley National Laboratory. J. R. acknowledges the Air Force Office of Scientific Research for support under Award No. FA9550-12-1-0046. A. A.-G. acknowledges the Army Research Office under Award No. W911NF-15-1-0256 and the Defense Security Science Engineering Fellowship managed by the Office of Naval Research under Award No. 00014-16-1-2008. P. J. L. acknowledges the support of the National Science Foundation under Grant No. PHY-0955518. Devices were made at the UCSB Nanofabrication Facility, a part of the NSF-funded National Nanotechnology Infrastructure Network, and at the NanoStructures Cleanroom Facility. R. Babbush, H. N., A. A.-G., and J. M. M. designed the experiments. P. J. J. O. performed the experiments. J. K., R. Barends, and A. M. fabricated the device. I. D. K., J. R., J. R. M., A. T., N. D., P. V. C., and P. J. L. helped R. Babbush and P. J. J. O. compile quantum software and analyze data. R. Babbush, P. J. J. O., and J. M. M. co-wrote the manuscript. NR 50 TC 6 Z9 6 U1 11 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2160-3308 J9 PHYS REV X JI Phys. Rev. X PD JUL 18 PY 2016 VL 6 IS 3 AR 031007 DI 10.1103/PhysRevX.6.031007 PG 13 WC Physics, Multidisciplinary SC Physics GA DR7ZT UT WOS:000380118900001 ER PT J AU Ong, PV Kioussis, N Amiri, PK Wang, KL AF Ong, P. V. Kioussis, Nicholas Amiri, P. Khalili Wang, K. L. TI Electric-field-driven magnetization switching and nonlinear magnetoelasticity in Au/FeCo/MgO heterostructures SO SCIENTIFIC REPORTS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; TUNNEL-JUNCTIONS; ATOMIC LAYERS; ANISOTROPY; STRESS; FILMS; IRON AB Voltage-induced switching of magnetization, as opposed to current-driven spin transfer torque switching, can lead to a new paradigm enabling ultralow-power and high density instant-on nonvolatile magnetoelectric random access memory (MeRAM). To date, however, a major bottleneck in optimizing the performance of MeRAM devices is the low voltage-controlled magnetic anisotropy (VCMA) efficiency (change of interfacial magnetic anisotropy energy per unit electric field) leading in turn to high switching energy and write voltage. In this work, employing ab initio electronic structure calculations, we show that epitaxial strain, which is ubiquitous in MeRAM heterostructures, gives rise to a rich variety of VCMA behavior with giant VCMA coefficient (similar to 1800 fJ V(-1)m(-1)) in Au/FeCo/MgO junction. The heterostructure also exhibits a strain-induced spin-reorientation induced by a nonlinear magnetoelastic coupling. The results demonstrate that the VCMA behavior is universal and robust in magnetic junctions with heavy metal caps across the 5d transition metals and that an electric-field-driven magnetic switching at low voltage is achievable by design. These findings open interesting prospects for exploiting strain engineering to harvest higher efficiency VCMA for the next generation MeRAM devices. C1 [Ong, P. V.; Kioussis, Nicholas] Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA. [Amiri, P. Khalili; Wang, K. L.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Amiri, P. Khalili] Inston Inc, Los Angeles, CA 90095 USA. [Ong, P. V.] Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99354 USA. RP Ong, PV; Kioussis, N (reprint author), Calif State Univ Northridge, Dept Phys & Astron, Northridge, CA 91330 USA.; Ong, PV (reprint author), Pacific Northwest Natl Lab, Phys & Computat Sci Directorate, Richland, WA 99354 USA. EM phuong-vu.ong@pnnl.gov; nick.kioussis@csun.edu RI ONG, PHUONG VU/B-5651-2016 OI ONG, PHUONG VU/0000-0001-8613-1690 FU NSF [1160504]; Inston Inc. through a Phase II NSF Small Business Innovation Research award FX This research was supported by NSF Grant No. ERC-Translational Applications of Nanoscale Multiferroic Systems (TANMS)-1160504 and in part by Inston Inc. through a Phase II NSF Small Business Innovation Research award. NR 37 TC 5 Z9 5 U1 16 U2 30 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2045-2322 J9 SCI REP-UK JI Sci Rep PD JUL 18 PY 2016 VL 6 AR 29815 DI 10.1038/srep29815 PG 8 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA DR2QT UT WOS:000379749700001 PM 27424885 ER PT J AU Kim, K Rodgers, A AF Kim, K. Rodgers, A. TI Waveform inversion of acoustic waves for explosion yield estimation SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article DE explosion; explosion yield; infrasound; waveform inversion; 3-D modeling AB We present a new waveform inversion technique to estimate the energy of near-surface explosions using atmospheric acoustic waves. Conventional methods often employ air blast models based on a homogeneous atmosphere, where the acoustic wave propagation effects (e.g., refraction and diffraction) are not taken into account, and therefore, their accuracy decreases with increasing source-receiver distance. In this study, three-dimensional acoustic simulations are performed with a finite difference method in realistic atmospheres and topography, and the modeled acoustic Green's functions are incorporated into the waveform inversion for the acoustic source time functions. The strength of the acoustic source is related to explosion yield based on a standard air blast model. The technique was applied to local explosions (<10km) and provided reasonable yield estimates (