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Retraction Note to: A limit analysis of Mindlin plates using the cell-based smoothed triangular element CS-MIN3 and second-order cone programming (SOCP)

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Asia Pacific Journal on computational engineering 2015年第1期2卷 1-1页

作者： Trung, Nguyen-Thoi Phuc, Phung-Van Canh, Le-Van Division of Computational Mathematics and Engineering (CME) Institute for Computational Science (INCOS) Ton Duc Thang University Hochiminh City Viet Nam Department of Mechanics Faculty of Mathematics and Computer Science VNUHCM University of Science Hochiminh City Viet Nam Department of Civil Engineering VNUHCM International University Hochiminh City Viet Nam

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Conformational Dynamics of apo‐GlnBP Revealed by Experimental and computational Analysis

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Angewandte Chemie 2016年第45期128卷

作者： Yitao Feng Lu Zhang Shaowen Wu Zhijun Liu Xin Gao Xu Zhang Maili Liu Jianwei Liu Xuhui Huang Wenning Wang Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials Department of Chemistry and Institutes of Biomedical Sciences Fudan University Shanghai P.R. China Department of Chemistry The Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong National Center for Protein Science Shanghai Institute of Biochemistry and Cell Biology Chinese Academy of Sciences Shanghai China King Abdullah University of Science and Technology (KAUST) Computational Bioscience Research Center (CBRC) Computer Electrical and Mathematical Sciences and Engineering (CEMSE) Division Thuwal 23955 Saudi Arabia Key Laboratory of Magnetic and Resonance in Biological Systems State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics Centre for Magnetic Resonance Wuhan Institute of Physics and Mathematics Chinese Academy of Sciences Wuhan China Division of Biomedical Engineering Center of Systems Biology and Human Health Institute for Advance Study and School of Science The Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong

The glutamine binding protein (GlnBP) binds l ‐glutamine and cooperates with its cognate transporters during glutamine uptake. Crystal structure analysis has revealed an open and a closed conformation for apo‐ and holo‐GlnBP, respectively. However, the detailed conformational dynamics have remained unclear. Herein, we combined NMR spectroscopy, MD simulations, and single‐molecule FRET techniques to decipher the conformational dynamics of apo‐GlnBP. The NMR residual dipolar couplings of apo‐GlnBP were in good agreement with a MD‐derived structure ensemble consisting of four metastable states. The open and closed conformations are the two major states. This four‐state model was further validated by smFRET experiments and suggests the conformational selection mechanism in ligand recognition of GlnBP.

关键词： FRET Konformationsdynamik Moleküldynamik NMR-Spektroskopie Proteinfaltung

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A time-based visualization for web user classification in social networks 14

A time-based visualization for web user classification in so...

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7th International Symposium on Visual Information Communication and Interaction, VINCI 2014

作者： Brunker, Andrew S Nguyen, Quang Vinh Maeder, Anthony J. Tague, Rhys Kolt, Gregory S. Savage, Trevor N. Vandelanotte, Corneel Duncan, Mitch J. Caperchione, Cristina M. Rosenkranz, Richard R. Van Itallie, Anetta Mummery, W. Kerry School of Computing Engineering and Mathematics University of Western Sydney Australia MARCS Institute School of Computing Engineering and Mathematics University of Western Sydney Australia School of Science and Health University of Western Sydney Australia Institute for Health and Social Science Research Central Queensland University Australia School of Health and Exercise Sciences University of British Columbia Canada College of Human Ecology Kansas State University United States Faculty of Physical Education and Recreation University of Alberta Canada

ISBN: (纸本)9781450327657

This paper presents a new visual analytics framework for analyzing health-related physical activity data. Existing techniques mostly rely on node-links visualizations to represent the usage patterns as social networks. This work takes a different approach that provides interactive scatter-plot visualizations on classified and time-based data. By providing a flexible visualization that can provide different angles on the multidimensional and classified data, the analyst could have better understanding and insight on web user behavior compared to the traditional social network methods. The effectiveness of our method has been demonstrated with a case study on an online portal system for tracking passive physical activity, called Walk 2.0. Copyright 2014 ACM.

关键词： Visualization

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New Isotopes and Proton Emitters–Crossing the Drip Line in the Vicinity of Sn100

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Physical Review Letters 2016年第16期116卷 162501-162501页

作者： I. Čeliković M. Lewitowicz R. Gernhäuser R. Krücken S. Nishimura H. Sakurai D.S. Ahn H. Baba B. Blank A. Blazhev P. Boutachkov F. Browne G. de France P. Doornenbal T. Faestermann Y. Fang N. Fukuda J. Giovinazzo N. Goel M. Górska S. Ilieva N. Inabe T. Isobe A. Jungclaus D. Kameda Y.-K. Kim Y. K. Kwon I. Kojouharov T. Kubo N. Kurz G. Lorusso D. Lubos K. Moschner D. Murai I. Nishizuka J. Park Z. Patel M. Rajabali S. Rice H. Schaffner Y. Shimizu L. Sinclair P.-A. Söderström K. Steiger T. Sumikama H. Suzuki H. Takeda Z. Wang H. Watanabe J. Wu Z. Xu Grand Accélérateur National d’Ions Lourds (GANIL) CEA/DRF-CNRS/IN2P3 Boulevard H. Becquerel 14076 Caen France “Vinča” Institute of Nuclear Sciences University of Belgrade 11000 Belgrade Serbia Physik Department E12 Technische Universität München D-85748 Garching Germany TRIUMF Vancouver British Columbia V6T 2A3 Canada Department of Physics and Astronomy University of British Columbia Vancouver British Columbia V6T 1Z1 Canada RIKEN Nishina Center 2-1 Hirosawa Wako Saitama 351-0198 Japan University of Tokyo 7-3-1 Hongo Bunkyo Tokyo 113-0033 Japan CEN Bordeaux-Gradignan Le Haut-Vigneau F-33175 Gradignan Cedex France Institute of Nuclear Physics University of Cologne D-50937 Cologne Germany GSI Helmholtzzentrum für Schwerionenforschung GmbH D-64291 Darmstadt Germany School of Computing Engineering and Mathematics University of Brighton Brighton BN2 4GJ United Kingdom Excellence Cluster Universe Technische Universität München D-85748 Garching Germany Osaka University Machikaneyama-machi 1-1 Osaka 560-0043 Toyonaka Japan Technische Universität Darmstadt D-64289 Darmstadt Germany Instituto de Estructura de la Materia IEM-CSIC E-28006 Madrid Spain Rare Isotope Science Project Institute for Basic Science Daejeon 305-811 Republic of Korea Department of Nuclear Engineering Hanyang University Seoul 133-791 Republic of Korea Department of Physics Faculty of Science Tohoku University Sendai 980-0845 Japan Department of Physics University of Surrey Guildford GU2 7XH United Kingdom University of York York YO10 5DD United Kingdom Beihang University Beijing 100191 China Department of Physics Peking University Beijing 100871 China

Several new isotopes, In96, Cd94, Ag92, and Pd90, have been identified at the RIKEN Nishina Center. The study of proton drip-line nuclei in the vicinity of Sn100 led to the discovery of new proton emitters Ag93 and Rh89 with half-lives in the submicrosecond range. The systematics of the half-lives of odd-Z nuclei with Tz=−1/2 toward Sn99 shows a stabilizing effect of the Z=50 shell closure. Production cross sections for nuclei in the vicinity of Sn100 measured at different energies and target thicknesses were compared to the cross sections calculated by epax taking into account contributions of secondary reactions in the primary target.

关键词： Lifetimes & widths Nuclear binding Proton emission Rare & new isotopes

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Nonlocal Diffusion Tensor for Visual Saliency Detection

Nonlocal Diffusion Tensor for Visual Saliency Detection

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International Conference on computational Intelligence and Security

作者： Xiujun Zhang Chen Xu Min Li College of Information and Engineering Shenzhen University Shenzhen China Institute of Intelligent Computing Science Shenzhen University Shenzhen China College of Mathematics and Computational Science Shenzhen University Shenzhen China

ISBN: (纸本)9781479974351

In this paper, visual attention transfer is formulated as a nonlocal diffusion equation. Different from the other diffusion based method, a nonlocal diffusion tensor is introduced to consider both the diffusion strength and direction. Along with the principle direction, the diffusion should be suppressed to preserve the dissimilarity between the foreground and background, and in other directions, the diffusion should be boosted to combine the similar regions and highlight the saliency object as a whole. Through a two-stages diffusion, the final saliency map is obtained and quantitative and visual comparisons are executed on two large benchmark databases. Experimental results demonstrate the superior performance of our method.

关键词： Visualization Tensile stress Databases Image color analysis Mathematical model Equations Vectors

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ZZ→ℓ+ℓ−ℓ′+ℓ′− cross-section measurements and search for anomalous triple gauge couplings in 13 TeV pp collisions with the ATLAS detector

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Physical Review D 2018年第3期97卷 032005-032005页

作者： M. Aaboud G. Aad B. Abbott O. Abdinov B. Abeloos S. H. Abidi O. S. AbouZeid N. L. Abraham H. Abramowicz H. Abreu R. Abreu Y. Abulaiti B. S. Acharya S. Adachi L. Adamczyk J. Adelman M. Adersberger T. Adye A. A. Affolder Y. Afik T. Agatonovic-Jovin C. Agheorghiesei J. A. Aguilar-Saavedra S. P. Ahlen F. Ahmadov G. Aielli S. Akatsuka H. Akerstedt T. P. A. Åkesson E. Akilli A. V. Akimov G. L. Alberghi J. Albert P. Albicocco M. J. Alconada Verzini S. C. Alderweireldt M. Aleksa I. N. Aleksandrov C. Alexa G. Alexander T. Alexopoulos M. Alhroob B. Ali M. Aliev G. Alimonti J. Alison S. P. Alkire B. M. M. Allbrooke B. W. Allen P. P. Allport A. Aloisio A. Alonso F. Alonso C. Alpigiani A. A. Alshehri M. I. Alstaty B. Alvarez Gonzalez D. Álvarez Piqueras M. G. Alviggi B. T. Amadio Y. Amaral Coutinho C. Amelung D. Amidei S. P. Amor Dos Santos S. Amoroso G. Amundsen C. Anastopoulos L. S. Ancu N. Andari T. Andeen C. F. Anders J. K. Anders K. J. Anderson A. Andreazza V. Andrei S. Angelidakis I. Angelozzi A. Angerami A. V. Anisenkov N. Anjos A. Annovi C. Antel M. Antonelli A. Antonov D. J. Antrim F. Anulli M. Aoki L. Aperio Bella G. Arabidze Y. Arai J. P. Araque V. Araujo Ferraz A. T. H. Arce R. E. Ardell F. A. Arduh J-F. Arguin S. Argyropoulos M. Arik A. J. Armbruster L. J. Armitage O. Arnaez H. Arnold M. Arratia O. Arslan A. Artamonov G. Artoni S. Artz S. Asai N. Asbah A. Ashkenazi L. Asquith K. Assamagan R. Astalos M. Atkinson N. B. Atlay K. Augsten G. Avolio B. Axen M. K. Ayoub G. Azuelos A. E. Baas M. J. Baca H. Bachacou K. Bachas M. Backes P. Bagnaia M. Bahmani H. Bahrasemani J. T. Baines M. Bajic O. K. Baker E. M. Baldin P. Balek F. Balli W. K. Balunas E. Banas A. Bandyopadhyay Sw. Banerjee A. A. E. Bannoura L. Barak E. L. Barberio D. Barberis M. Barbero T. Barillari M-S Barisits J. T. Barkeloo T. Barklow N. Barlow S. L. Barnes B. M. Barnett R. M. Barnett Z. Barnovska-Blenessy A. Baroncelli G. Barone A. J. Barr L. Barranco Navarro F. Barreiro J. Barreiro Guimarães da Costa R. Bartoldus A. E. Barton P. Bartos A. Basalaev A. B Faculté des Sciences Université Mohamed Premier and LPTPM Oujda Morocco CPPM Aix-Marseille Université and CNRS/IN2P3 Marseille France Homer L. Dodge Department of Physics and Astronomy University of Oklahoma Norman Oklahoma USA Institute of Physics Azerbaijan Academy of Sciences Baku Azerbaijan LAL Univ. Paris-Sud CNRS/IN2P3 Université Paris-Saclay Orsay France Department of Physics University of Toronto Toronto Ontario Canada Santa Cruz Institute for Particle Physics University of California Santa Cruz Santa Cruz California USA Department of Physics and Astronomy University of Sussex Brighton United Kingdom Raymond and Beverly Sackler School of Physics and Astronomy Tel Aviv University Tel Aviv Israel Department of Physics Technion: Israel Institute of Technology Haifa Israel Center for High Energy Physics University of Oregon Eugene Oregon USA Department of Physics Stockholm University Sweden The Oskar Klein Centre Stockholm Sweden INFN Gruppo Collegato di Udine Sezione di Trieste Udine Italy ICTP Trieste Italy International Center for Elementary Particle Physics and Department of Physics The University of Tokyo Tokyo Japan AGH University of Science and Technology Faculty of Physics and Applied Computer Science Krakow Poland Department of Physics Northern Illinois University DeKalb Illinois USA Fakultät für Physik Ludwig-Maximilians-Universität München München Germany Particle Physics Department Rutherford Appleton Laboratory Didcot United Kingdom Institute of Physics University of Belgrade Belgrade Serbia Department of Physics Alexandru Ioan Cuza University of Iasi Iasi Romania Laboratório de Instrumentação e Física Experimental de Partículas - LIP Lisboa Portugal Departamento de Fisica Teorica y del Cosmos Universidad de Granada Granada Portugal Department of Physics Boston University Boston Massachusetts USA Joint Institute for Nuclear Research JINR Dubna Dubna Russia INFN Sezione di Roma Tor Vergata Italy Dipartimento di Fisica Un

Measurements of ZZ production in the ℓ+ℓ−ℓ′+ℓ′− channel in proton–proton collisions at 13 TeV center-of-mass energy at the Large Hadron Collider are presented. The data correspond to 36.1 fb−1 of collisions collected by the ATLAS experiment in 2015 and 2016. Here ℓ and ℓ′ stand for electrons or muons. Integrated and differential ZZ→ℓ+ℓ−ℓ′+ℓ′− cross sections with Z→ℓ+ℓ− candidate masses in the range of 66 GeV to 116 GeV are measured in a fiducial phase space corresponding to the detector acceptance and corrected for detector effects. The differential cross sections are presented in bins of twenty observables, including several that describe the jet activity. The integrated cross section is also extrapolated to a total phase space and to all standard model decays of Z bosons with mass between 66 GeV and 116 GeV, resulting in a value of 17.3±0.9[±0.6(stat)±0.5(syst)±0.6(lumi)] pb. The measurements are found to be in good agreement with the standard model. A search for neutral triple gauge couplings is performed using the transverse momentum distribution of the leading Z boson candidate. No evidence for such couplings is found and exclusion limits are set on their parameters.

关键词： Electroweak interaction W & Z bosons Particle data analysis

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Peridynamic State-Based Models and the Embedded-Atom Model

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Communications in computational Physics 2014年第1期15卷 179-205页

作者： Pablo Seleson Michael L.Parks Max Gunzburger Institute for Computational Engineering and Sciences 201 East 24th StStop C0200AustinTexas 78712-1229USA. Sandia National Laboratories Computing Research CenterP.O.Box 5800MS 1320AlbuquerqueNM 87185-1320USA. Department of Scientific Computing 400 Dirac Science LibraryFlorida State UniversityTallahasseeFL 32306-4120USA.

We investigate connections between nonlocal continuum models and molecular dynamics.A continuous upscaling of molecular dynamics models of the form of the embedded-atom model is presented,providing means for simulating molecular dynamics systems at greatly reduced *** are presented for structured and structureless material models,supported by computational *** nonlocal continuum models are shown to be instances of the state-based peridynamics *** relating multibody peridynamic models and upscaled nonlocal continuum models are derived.

关键词： Peridynamics multibody potentials embedded-atom molecular dynamics.

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Identification and Spectroscopic Characterization of Nonheme Iron(III) Hypochlorite Intermediates

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Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 2015年第14期127卷 4431-4435页

作者： Apparao Draksharapu Davide Angelone Matthew G Quesne Sandeep K Padamati Laura Gómez Ronald Hage Miquel Costas Wesley R Browne Sam P de Visser Stratingh Institute for Chemistry Faculty of Mathematics and Natural Sciences University of Groningen Nijenborgh 4 9747 AG Groningen (The Netherlands). Manchester Institute of Biotechnology and School of Chemical Engineering and Analytical Science The University of Manchester 131 Princess Street Manchester M1 7DN (UK). Departament de Química and Institute of Computational Chemistry and Catalysis (IQCC) University of Girona Campus de Montilivi Girona 17071 (Spain) Serveis Tècnics de Recerca (STR) Universitat de Girona Parc Científic i Tecnològic E-17003 Girona Spain. Catexel Ltd. BioPartner Center Leiden Galileiweg 8 2333 BD Leiden (The Netherlands). Departament de Química and Institute of Computational Chemistry and Catalysis (IQCC) University of Girona Campus de Montilivi Girona 17071 (Spain).

Fe-hypohalite complexes have been implicated in a wide range of important enzyme-catalyzed halogenation reactions including the biosynthesis of natural products and antibiotics and post-translational modification of proteins. The absence of spectroscopic data on such species precludes their identification. Herein, we report the generation and spectroscopic characterization of nonheme Fe-hypohalite intermediates of possible relevance to iron halogenases. We show that Fe-OCl polypyridylamine complexes can be sufficiently stable at room temperature to be characterized by UV/Vis absorption, resonance Raman and EPR spectroscopies, and cryo-ESIMS. DFT methods rationalize the pathways to the formation of the Fe-OCl, and ultimately Fe=O, species and provide indirect evidence for a short-lived Fe-OCl intermediate. The species observed and the pathways involved offer insight into and, importantly, a spectroscopic database for the investigation of iron halogenases.

关键词： EPR‐Spektroskopie Eisen Hypochlorit Metalloenzyme Raman‐Spektroskopie

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Parallelization of a DEM code based on CPU-GPU heterogeneous architecture

Parallelization of a DEM code based on CPU-GPU heterogeneous...

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26th International Conference on Parallel computational Fluid Dynamics, ParCFD 2013

作者： Yue, Xiaoqiang Zhang, Hao Luo, Congshu Shu, Shi Feng, Chunsheng School of Mathematics and Computational Science Xiangtan University 411105 Hunan China Heat and Mass Transfer Technological Center Technical University of Catalonia 08222 Terrassa Spain Hunan Key Laboratory for Computation and Simulation in Science and Engineering Key Laboratory of Intelligent Computing and Information Processing of Ministry of Education Xiangtan University 411105 Hunan China

ISBN: (纸本)9783642539619

Particulate flows are commonly encountered in both engineering and environmental applications. The discrete element method (DEM) has attracted plentiful attentions since it can predict the whole motion of the particulate flow by monitoring every single particle. However the computational capability of the method relies strongly on the numerical scheme as well as the hardware environment. In this study, a parallelization of a DEM based code titled Trubal was implemented. Numerical simulations were carried out to show the benefits of this research. It is shown that the final parallel code gave a substantial acceleration on the Trubal. By simulating 6,000 particles using a NVIDIA Tesla C2050 card together with Intel Core-Dual 2.93 GHz CPU, an average speedup of 4.69 in computational time was obtained. © Springer-Verlag Berlin Heidelberg 2014.

关键词： Finite difference method

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RETRACTED ARTICLE: A limit analysis of Mindlin plates using the cell-based smoothed triangular element CS-MIN3 and second-order cone programming (SOCP)

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Asia Pacific Journal on computational engineering 2014年第1期1卷 1-26页

The paper presents a numerical procedure for kinematic limit analysis of Mindlin plate governed by von Mises criterion. The cell-based smoothed three-node Mindlin plate element (CS-MIN3) is combined with a second-order cone optimization programming (SOCP) to determine the upper bound limit load of the Mindlin plates. In the CS-MIN3, each triangular element will be divided into three sub-triangles, and in each sub-triangle, the gradient matrices of MIN3 is used to compute the strain rates. Then the gradient smoothing technique on whole the triangular element is used to smooth the strain rates on these three sub-triangles. The limit analysis problem of Mindlin plates is formulated by minimizing the dissipation power subjected to a set of constraints of boundary conditions and unitary external work. For Mindlin plates, the dissipation power is computed on both the middle plane and thickness of the plate. This minimization problem then can be transformed into a form suitable for the optimum solution using the SOCP. The numerical results of some benchmark problems show that the proposal procedure can provide the reliable upper bound collapse multipliers for both thick and thin plates.

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