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Screw dislocation structure and mobility in body centered cubic Fe predicted by a Gaussian Approximation Potential

npj computational Materials 2018年第1期4卷 90-96页

作者： Francesco Maresca Daniele Dragoni Gábor Csányi Nicola Marzari William A.Curtin Laboratory for Multiscale Mechanics Modeling(LAMMM) Institute of Mechanical EngineeringÉcole Polytechnique Fédérale de LausanneLausanne CH-1015Switzerland Theory and Simulation of Materials(THEOS) and National Centre for Computational Design and Discovery of Novel Materials(NCCR MARVEL)École Polytechnique Fédérale de LausanneLausanne CH-1015Switzerland Dipartimento di Scienza dei Materiali Universitàdi Milano-BicoccaVia R.Cozzi 55Milan I-20125Italy Department of Engineering University of CambridgeTrumpington StreetCambridge CB21PZUK

The plastic flow behavior of bcc transition metals up to moderate temperatures is dominated by the thermally activated glide of screw dislocations,which in turn is determined by the atomic-scale screw dislocation core structure and the associated kink-pair nucleation mechanism for *** complex plasticity phenomena requires the simulation of many atoms and interacting dislocations and *** sizes are beyond the scope of first-principles methods and thus require empirical interatomic *** for the technological important case of bcc Fe,existing empirical interatomic potentials yield spurious ***,the structure and motion of the screw dislocations in Fe are studied using a new Gaussian Approximation Potential(GAP)for bcc Fe,which has been shown to reproduce the potential energy surface predicted by density-functional theory(DFT)and many associated *** Fe GAP predicts a compact,non-degenerate core structure,a single-hump Peierls potential,and glide on{110},consistent with DFT *** thermally activated motion at finite temperatures occurs by the expected kink-pair nucleation and propagation *** stress-dependent enthalpy barrier for screw motion,computed using the nudgedelastic-band method,follows closely a form predicted by standard theories with a zero-stress barrier of~1 eV,close to the experimental value of 0.84 eV,and a Peierls stress of~2 GPa consistent with DFT predictions of the Peierls potential.

关键词： structure dislocation cubic

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CEPC Technical design Report

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Radiation Detection Technology and Methods 2024年第1期8卷 I0003-I0016,1-1091页

作者： Waleed Abdallah Tiago Carlos Adorno de Freitas Konstantin Afanaciev Shakeel Ahmad Ijaz Ahmed Xiaocong Ai Abid Aleem Wolfgang Altmannshofer Fabio Alves Weiming An Rui An Daniele Paolo Anderle Stefan Antusch Yasuo Arai Andrej Arbuzov Abdesslam Arhrib Mustafa Ashry Sha Bai Yu Bai Yang Bai Vipul Bairathi Csaba Balazs Philip Bambade Yong Ban Tripamo Bandyopadhyay Shou-Shan Bao Desmond P.Barber Ayse Bat Varvara Batozskaya Subash Chandra Behera Alexander Belyaev Michele Bertucci Xiao-Jun Bi Yuanjie Bi Tianjian Bian Fabrizio Bianchi Thomas Biekotter Michela Biglietti Shalva Bilanishvili Deng Binglin Denis Bodrov Anton Bogomyagkov Serge Bondarenko Stewart Boogert Maarten Boonekamp Marcello Borri Angelo Bosotti Vincent Boudry Mohammed Boukidi Igor Boyko Ivanka Bozovic Giuseppe Bozzi Jean-Claude Brient Anastasiia Budzinskaya Masroor Bukhari Vladimir Bytev Giacomo Cacciapaglia Hua Cai Wenyong Cai Wujun Cai Yijian Cai Yizhou Cai Yuchen Cai Haiying Cai Huacheng Cai Lorenzo Calibbi Junsong Cang Guofu Cao Jianshe Cao Antoine Chance Xuejun Chang Yue Chang Zhe Chang Xinyuan Chang Wei Chao Auttakit Chatrabhuti Yimin Che Yuzhi Che Bin Chen Danping Chen Fuqing Chen Fusan Chen Gang Chen Guoming Chen Hua-Xing Chen Huirun Chen Jinhui Chen Ji-Yuan Chen Kai Chen Mali Chen Mingjun Chen Mingshui Chen Ning Chen Shanhong Chen Shanzhen Chen Shao-Long Chen Shaomin Chen Shiqiang Chen Tianlu Chen Wei Chen Xiang Chen Xiaoyu Chen Xin Chen Xun Chen Xurong Chen Ye Chen Ying Chen Yukai Chen Zelin Chen Zilin Chen Gang Chen Boping Chen Chunhui Chen Hok Chuen Cheng Huajie Cheng Shan Cheng Tongguang Cheng Yunlong Chi Pietro Chimenti Wen Han Chiu Guk Cho Ming-Chung Chu Xiaotong Chu Ziliang Chu Guglielmo Coloretti Andreas Crivellin Hanhua Cui Xiaohao Cui Zhaoyuan Cui Brunella D'Anzi Ling-Yun Dai Xinchen Dai Xuwen Dai Antonio De Maria Nicola De Filippis Christophe De La Taille Francesca De Mori Chiara De Sio Elisa Del Core Shuangxue Deng Wei-Tian Deng Zhi Deng Ziyan Deng Bhupal Dev Tang Dewen Biagio Di Micco Ran Ding Siqin Dingl Yadong Ding Haiyi Dong Jianin AGH University of Science and Technology Faculty of Physics and Applied Computer ScienceKrakow Anhui University HefeiAnhui Applied Physics Department Federal Urdu University of ArtsScience and TechnologyIslamabad Banaras Hindu University Institute of ScienceVaranasi Bandirma Onyedi Eylul University Bandirma Beihang University Beijing Beijing Computational Science Research Center Beijing Beijing Conveyi LTD Beijing Beijing Glass Research Institute Co. LtdBeijing Beijing Institute of Technology Beijing Beijing Normal University Beijing Brown University ProvidenceRI Budker Institute of Nuclear Physics Novosibirsk Cadi Ayyad University Laboratory of Fundamental and Applied PhysicsPolydisciplinary FacultyMarrakech Cairo University Giza Center for Theory and Computation National Tsing Hua UniversityHsinchu Central China Normal University WuhanHubei Central South University ChangshaHunan Centro de Fisica Teorica de Particulas Universidade Tecnica de LisboaLisboa Chengdu KaitengSifang Digital Radio&TV Equipment Co. LtdChengduSichuan China academy of engineering physics MianyangSichuan China building materials academy Beijing China Center of Advanced Science and Technology Beijing China Institute of Atomic Energy Beijing China Jiliang University HangzhouZhejiang China Nuclear Instrument CO. LTDBeijing China University of Geosciences Beijing China University of Geosciences WuhanHubei China University of Mining and Technology XuzhouJiangsu China West Normal University NanchongSichuan Chongqing University Department of PhysicsChongqing Chulalongkorn University Bangkok City University of Hong Kong Department of PhysicsHong Kong Cockcroft Institute Daresbury Cornell University IthacaNY CPPM(AMU/IPhU&CNRS/INP) Marseille Dalian Minzu University DalianLiaoning Dalian University of Technology Department of PhysicsDalian Deutsches Elektronen-Synchrotron DESY Hamburg Dzhelepov Laboratory of Nuclear Problems of Joint Institute for Nuclear Research(DLNP JINR) Dubna East China University Of Science And Technol

The Circular Electron Positron Collider(CEPC)is a large scientific project initiated and hosted by China,fostered through extensive collaboration with international *** complex comprises four accelerators:a 30 GeV Linac,a 1.1 GeV Damping Ring,a Booster capable of achieving energies up to 180 GeV,and a Collider operating at varying energy modes(Z,W,H,and tt).The Linac and Damping Ring are situated on the surface,while the subterranean Booster and Collider are housed in a 100 km circumference underground tunnel,strategically accommodating future expansion with provisions for a potential Super Proton Proton Collider(SPPC).The CEPC primarily serves as a Higgs *** its baseline design with synchrotron radiation(SR)power of 30 MW per beam,it can achieve a luminosity of 5×10^(34)cm^(-2)s^(-1)per interaction point(IP),resulting in an integrated luminosity of 13 ab^(-1)for two IPs over a decade,producing 2.6 million Higgs *** the SR power to 50 MW per beam expands the CEPC's capability to generate 4.3 million Higgs bosons,facilitating precise measurements of Higgs coupling at sub-percent levels,exceeding the precision expected from the HL-LHC by an order of *** Technical design Report(TDR)follows the Preliminary Conceptual design Report(Pre-CDR,2015)and the Conceptual design Report(CDR,2018),comprehensively detailing the machine's layout,performance metrics,physical design and analysis,technical systems design,R&D and prototyping efforts,and associated civil engineering ***,it includes a cost estimate and a preliminary construction timeline,establishing a framework for forthcoming engineering design phase and site selection *** is anticipated to begin around 2027-2028,pending government approval,with an estimated duration of 8 *** commencement of experiments and data collection could potentially be initiated in the mid-2030s.

关键词： initiated exceeding precise

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i-PI 2.0: A universal force engine for advanced molecular simulations

arXiv

引用

arXiv 2018年

作者： Kapil, Venkat Rossi, Mariana Marsalek, Ondrej Petraglia, Riccardo Litman, Yair Spura, Thomas Cheng, Bingqing Cuzzocrea, Alice Meißner, Robert H. Wilkins, David M. Juda, Przemyslaw Bienvenue, Sébastien P. Fang, Wei Kessler, Jan Poltavsky, Igor Vandenbrande, Steven Wieme, Jelle Corminboeuf, Clemence Kühne, Thomas D. Manolopoulos, David E. Markland, Thomas E. Richardson, Jeremy O. Tkatchenko, Alexandre Tribello, Gareth A. van Speybroeck, Veronique Ceriotti, Michele Laboratory of Computational Science and Modeling Institute of Materials École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Fritz Haber Institute of the Max Planck Society Theory Department Faradayweg 4-6 Berlin14195 Germany Physics and Materials Science Research Unit University of Luxembourg L-1511 Luxembourg Department of Chemistry Stanford University StanfordCA94305 United States Atomistic Simulation Centre School of Mathematics and Physics Queen’s University Belfast BelfastBT7 1NN United Kingdom Department of Chemistry and Center for Sustainable Systems Design University of Paderborn Warburger Str. 100 PaderbornD-33098 Germany Laboratory of Physical Chemistry ETH Zurich Zurich8093 Switzerland Center for Molecular Modeling Ghent University Zwijnaarde9052 Belgium Physical and Theoretical Chemistry Laboratory South Parks Road OxfordOX1 3QZ United Kingdom Laboratory for Computational Molecular Design Institute of Chemical Sciences and Engineering École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Charles University Faculty of Mathematics and Physics Ke Karlovu 3 Prague 2121 16 Czech Republic

Progress in the atomic-scale modelling of matter over the past decade has been tremendous. This progress has been brought about by improvements in methods for evaluating interatomic forces that work by either solving the electronic structure problem explicitly, or by computing accurate approximations of the solution and by the development of techniques that use the Born-Oppenheimer (BO) forces to move the atoms on the BO potential energy surface. As a consequence of these developments it is now possible to identify stable or metastable states, to sample configurations consistent with the appropriate thermodynamic ensemble, and to estimate the kinetics of reactions and phase transitions. All too often, however, progress is slowed down by the bottleneck associated with implementing new optimization algorithms and/or sampling techniques into the many existing electronic-structure and empirical-potential codes. To address this problem, we are thus releasing a new version of the i-PI software. This piece of software is an easily extensible framework for implementing advanced atomistic simulation techniques using interatomic potentials and forces calculated by an external driver code. While the original version of the code[1] was developed with a focus on path integral molecular dynamics techniques, this second release of i-PI not only includes several new advanced path integral methods, but also offers other classes of algorithms. In other words, i-PI is moving towards becoming a universal force engine that is both modular and tightly coupled to the driver codes that evaluate the potential energy surface and its derivatives. Copyright © 2018, The Authors. All rights reserved.

关键词： Molecular dynamics

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Correction: CEPC Technical design Report: Accelerator

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Radiation Detection Technology and Methods 2024年第1期9卷 184-192页

作者： Abdallah, Waleed de Freitas, Tiago CarlosAdorno Afanaciev, Konstantin Ahmad, Shakeel Ahmed, Ijaz Ai, Xiaocong Aleem, Abid Altmannshofer, Wolfgang Alves, Fabio An, Weiming An, Rui Anderle, Daniele Paolo Antusch, Stefan Arai, Yasuo Arbuzov, Andrej Arhrib, Abdesslam Ashry, Mustafa Bai, Sha Bai, Yu Bai, Yang Bairathi, Vipul Balazs, Csaba Bambade, Philip Ban, Yong Bandyopadhyay, Triparno Bao, Shou-Shan Barber, Desmond P. Bat, Ays¸e Batozskaya, Varvara Behera, Subash Chandra Belyaev, Alexander Bertucci, Michele Bi, Xiao-Jun Bi, Yuanjie Bian, Tianjian Bianchi, Fabrizio Bieko¨tter, Thomas Biglietti, Michela Bilanishvili, Shalva Binglin, Deng Bodrov, Denis Bogomyagkov, Anton Bondarenko, Serge Boogert, Stewart Boonekamp, Maarten Borri, Marcello Bosotti, Angelo Boudry, Vincent Boukidi, Mohammed Boyko, Igor Bozovic, Ivanka Bozzi, Giuseppe Brient, Jean-Claude Budzinskaya, Anastasiia Bukhari, Masroor Bytev, Vladimir Cacciapaglia, Giacomo Cai, Hua Cai, Wenyong Cai, Wujun Cai, Yijian Cai, Yizhou Cai, Yuchen Cai, Haiying Cai, Huacheng Calibbi, Lorenzo Cang, Junsong Cao, Guofu Cao, Jianshe Chance, Antoine Chang, Xuejun Chang, Yue Chang, Zhe Chang, Xinyuan Chao, Wei Chatrabhuti, Auttakit Che, Yimin Che, Yuzhi Chen, Bin Chen, Danping Chen, Fuqing Chen, Fusan Chen, Gang Chen, Guoming Chen, Hua-Xing Chen, Huirun Chen, Jinhui Chen, Ji-Yuan Chen, Kai Chen, Mali Chen, Mingjun Chen, Mingshui Chen, Ning Chen, Shanhong Chen, Shanzhen Chen, Shao-Long Chen, Shaomin Chen, Shiqiang Chen, Tianlu Chen, Wei Chen, Xiang Chen, Xiaoyu Chen, Xin Chen, Xun Chen, Xurong Chen, Ye Chen, Ying Chen, Yukai Chen, Zelin Chen, Zilin Chen, Boping Chen, Chunhui Cheng, Hok Chuen Cheng, Huajie Cheng, Shan Cheng, Tongguang Chi, Yunlong Chimenti, Pietro Chiu, Wen Han Cho, Guk Chu, Ming-Chung Chu, Xiaotong Chu, Ziliang Coloretti, Guglielmo Crivellin, Andreas Cui, Hanhua Cui, Xiaohao Cui, Zhaoyuan D’Anzi, Brunella Dai, Ling-Yun Dai, Xinchen Dai, Xuwen De Maria, Antonio De Filippis, Nicola De La Taille, Christophe De Mori, Francesca De Sio, Chiara Del Core, Elisa Deng, Cairo University Giza Egypt Xi’an Jiaotong-Liverpool University Suzhou China Institute of Power Engineering of National Academy of Sciences of Belarus Minsk Belarus Pakistan Institute of Nuclear Science and Technology (PINSTECH) Islamabad Pakistan Applied Physics Department Science and Technology Federal Urdu University of Arts Islamabad Pakistan Zhengzhou University Zhengzhou China Institute of High Energy Physics Chinese Academy of Sciences Beijing China University of California Santa Cruz Santa Cruz USA Nanjing University Nanjing China Beijing Normal University Beijing China Harvard University Cambridge USA South China Normal University Guangzhou China University of Basel Basel Switzerland High Energy Accelerator Research Organization (KEK) Tsukuba Japan Joint Institute for Nuclear Research Dubna Russia Faculty of Sciences and Techniques Université Abdelmalek Essaadi Tangier Morocco Southeast University Nanjing China Department of Physics University of Wisconsin–Madison Madison USA Instituto de Alta Investigación Universidad de Tarapacá Arica Chile Monash University Melbourne Australia Laboratoire de Physique des 2 infinis Irène Joliot-Curie – IJCLab Orsay France Peking University Beijing China Department of Physics and Nanotechnology SRM Institute of Science and Technology Kattankulathur India Shandong University Jinan China University of New Mexico Albuquerque USA Bandirma Onyedi Eylul University Bandırma Turkey National Centre for Nuclear Research Warsaw Poland Indian Institute of Technology Madras (IN) Chennai India University of Southampton Southampton UK INFN Milano - LASA Segrate Italy Sun Yat-Sen University Guangzhou China China Institute of Atomic Energy Beijing China INFN-University of Torino Turin Italy Karlsruhe Institute of Technology Institute for Theoretical Physics Karlsruhe Germany INFN-Sezione di Roma Tre Rome Italy Kutaisi International University Kutaisi Georgia Soochow University Suzhou China Budker Institute

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Wannier90 as a community code: New features and applications

arXiv

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arXiv 2019年

作者： Pizzi, Giovanni Vitale, Valerio Arita, Ryotaro Blugel, Stefan Freimuth, Frank Geranton, Guillaume Gibertini, Marco Gresch, Dominik Johnson, Charles Koretsune, Takashi Ibanez-Azpiroz, Julen Lee, Hyungjun Lihm, Jae-Mo Marchand, Daniel Marrazzo, Antimo Mokrousov, Yuriy Mustafa, Jamal I. Nohara, Yoshiro Nomura, Yusuke Paulatto, Lorenzo Ponce, Samuel Ponweiser, Thomas Qiao, Junfeng Thole, Florian Tsirkin, Stepan S. Wierzbowska, Malgorzata Marzari, Nicola Vanderbilt, David Souza, Ivo Mosto, Arash A. Yates, Jonathan R. Theory and Simulation of Materials National Centre for Computational Design and Discovery of Novel Materials Ecole Polytechnique Federale de Lausanne LausanneCH-1015 Cavendish Laboratory Department of Physics University of Cambridge CambridgeCB30HE Departments of Materials and Physics Thomas Young Centre for Theory and Simulation of Materials Imperial College London LondonSW72AZ RIKEN Center for Emergent Matter Science 2-1 Hirosawa Wako Saitama351-0198 Department of Applied Physics University of Tokyo 7-3-1 Hongo Bunkyo-ku Tokyo113-8656 Peter Grunberg Institut Institute for Advanced Simulation JARA Julich52425 Department of Quantum Matter Physics University of Geneva Geneva ETH Zurich Zurich Departments of Materials and Physics Imperial College London LondonSW72AZ Department of Physics Tohoku University Sendai JST PRESTO Kawaguchi Saitama Centro de Fisica de Materiales Universidad Del Pais Vasco San SebastianE-20018 Institute of Physics Ecole Polytechnique Federale de Lausanne LausanneCH-1015 Korea Institute for Advanced Study Hoegiro 85 Seoul02455 Department of Physics Center for Theoretical Physics Seoul National University Seoul08826 Laboratory for Multiscale Mechanics Modeling Ecole Polytechnique Federale de Lausanne Lausanne Institute of Physics Jonannes-Gutenberg University of Mainz Mainz55099 Department of Physics University of California BerkeleyCA94720 United States ASMS Co. Ltd. 1-7-11 Higashi-Gotanda Shinagawa-ku Tokyo141-0022 Institut de Mineralogie de Physique des Materiaux et de Cosmochimie Sorbonne Universite CNRS Case 115 4 place Jussieu Paris Cedex75252 Department of Materials University of Oxford Parks Road OxfordOX13PH Research Institute for Symbolic Computation Johannes Kepler University Altenberger Strae 69 Linz4040 Fert Beijing Institute School of Microelectronics BDBC Beihang University Beijing Materials Theory ETH Zurich Wolfgang-Pauli-Strasse 27 ZurichCH-8093 Department of Physics University of Zurich

Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronicstructure codes thanks to its independence from the basis sets representing these Bloch states. In the past few years the development of Wannier90 has transitioned to a community-driven model;this has resulted in a number of new developments that have been recently released in Wannier90 v3.0. In this article we describe these new functionalities, that include the implementation of new features for wannierisation and disentanglement (symmetry-adapted Wannier functions, selectivelylocalised Wannier functions, selected columns of the density matrix) and the ability to calculate new properties (shift currents and Berry-curvature dipole, and a new interface to many-body perturbation theory);performance improvements, including parallelisation of the core code;enhancements in functionality (support for spinor-valued Wannier functions, more accurate methods to interpolate quantities in the Brillouin zone);improved usability (improved plotting routines, integration with high-throughput automation frameworks), as well as the implementation of modern software engineering practices (unit testing, continuous integration, and automatic source-code documentation). These new features, capabilities, and code development model aim to further sustain and expand the community uptake and range of applicability, that nowadays spans complex and accurate dielectric, electronic, magnetic, optical, topological and transport properties of materials. Copyright © 2019, The Authors. All rights reserved.

关键词： Open source software

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hMTR4 plays a central role in creating balanced nuclear RNA pools for degradation and export

hMTR4 plays a central role in creating balanced nuclear RNA ...

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第九届全国核糖核酸学术讨论会

作者： Bin Kuai Guifen Wu Jing Fan Xudong Wu Binkai Chi Xingya Chang Lantian Wang Zhubing Shi Heng Zhang Ke Wang She Chen Zhisong He Zhaocai Zhou Guohui Li 程红中科院上海生命科学院生化细胞所 Laboratory of Molecular Modeling and Design State Key Laboratory of Molecular Reaction DynamicsDalian Institute of Chemical PhysicsChinese Academy of Sciences National Institute of Biological Sciences CAS Key Laboratory of Computational Biology CAS-MPG Partner Institute for Computational BiologyShanghai Institutes for Biological SciencesChinese Academy of Sciences

The exosome is a key RNA machine that functions in degradation of unwanted ***,ourRNA-seq and RT-PCR data indicate that in RNA processing-and exportcompetent human cells,significant fractions of precursors and mature ... 详细信息

关键词： hMTR4 plays a central role in creating balanced nuclear RNA pools for degradation and export RNA

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Author Correction: The FLUXNET2015 dataset and the ONEFlux processing pipeline for eddy covariance data

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Scientific data 2021年第1期8卷 72页

作者： Gilberto Pastorello Carlo Trotta Eleonora Canfora Housen Chu Danielle Christianson You-Wei Cheah Cristina Poindexter Jiquan Chen Abdelrahman Elbashandy Marty Humphrey Peter Isaac Diego Polidori Markus Reichstein Alessio Ribeca Catharine van Ingen Nicolas Vuichard Leiming Zhang Brian Amiro Christof Ammann M Altaf Arain Jonas Ardö Timothy Arkebauer Stefan K Arndt Nicola Arriga Marc Aubinet Mika Aurela Dennis Baldocchi Alan Barr Eric Beamesderfer Luca Belelli Marchesini Onil Bergeron Jason Beringer Christian Bernhofer Daniel Berveiller Dave Billesbach Thomas Andrew Black Peter D Blanken Gil Bohrer Julia Boike Paul V Bolstad Damien Bonal Jean-Marc Bonnefond David R Bowling Rosvel Bracho Jason Brodeur Christian Brümmer Nina Buchmann Benoit Burban Sean P Burns Pauline Buysse Peter Cale Mauro Cavagna Pierre Cellier Shiping Chen Isaac Chini Torben R Christensen James Cleverly Alessio Collalti Claudia Consalvo Bruce D Cook David Cook Carole Coursolle Edoardo Cremonese Peter S Curtis Ettore D'Andrea Humberto da Rocha Xiaoqin Dai Kenneth J Davis Bruno De Cinti Agnes de Grandcourt Anne De Ligne Raimundo C De Oliveira Nicolas Delpierre Ankur R Desai Carlos Marcelo Di Bella Paul di Tommasi Han Dolman Francisco Domingo Gang Dong Sabina Dore Pierpaolo Duce Eric Dufrêne Allison Dunn Jiří Dušek Derek Eamus Uwe Eichelmann Hatim Abdalla M ElKhidir Werner Eugster Cacilia M Ewenz Brent Ewers Daniela Famulari Silvano Fares Iris Feigenwinter Andrew Feitz Rasmus Fensholt Gianluca Filippa Marc Fischer John Frank Marta Galvagno Mana Gharun Damiano Gianelle Bert Gielen Beniamino Gioli Anatoly Gitelson Ignacio Goded Mathias Goeckede Allen H Goldstein Christopher M Gough Michael L Goulden Alexander Graf Anne Griebel Carsten Gruening Thomas Grünwald Albin Hammerle Shijie Han Xingguo Han Birger Ulf Hansen Chad Hanson Juha Hatakka Yongtao He Markus Hehn Bernard Heinesch Nina Hinko-Najera Lukas Hörtnagl Lindsay Hutley Andreas Ibrom Hiroki Ikawa Marcin Jackowicz-Korczynski Dalibor Janouš Wilma Jans Rachhpal Jassal Shicheng Jiang Tomomichi Kato Myr Computational Research Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA. gzpastorello@lbl.gov. DIBAF University of Tuscia Viterbo 01100 Italy. Euro-Mediterranean Centre on Climate Change Foundation (CMCC) Lecce 73100 Italy. Climate & Ecosystem Sciences Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA. Computational Research Division Lawrence Berkeley National Laboratory Berkeley CA 94720 USA. Department of Civil Engineering California State University Sacramento CA 95819 USA. Department of Geography Environment and Spatial Sciences Michigan State University East Lansing MI 48823 USA. Department of Computer Science University of Virginia Charlottesville VA 22904 USA. TERN Ecosystem Processes Menzies Creek VIC3159 Australia. Max Planck Institute for Biogeochemistry Jena 07701 Germany. Laboratoire des Sciences du Climat et de l'Environnement (LSCE) CEA CNRS UVSQ UPSACLAY Gif sur Yvette 91190 France. Key Laboratory of Ecosystem Network Observation and Modeling Institute of Geographic Sciences and Natural Resources Research Chinese Academy of Sciences Beijing 100101 China. Department of Soil Science University of Manitoba Winnipeg MB R3T2N2 Canada. Department of Agroecology and Environment Agroscope Research Institute Zürich 8046 Switzerland. School of Geography and Earth Sciences McMaster University L8S4K1 Hamilton ON Canada. Department of Physical Geography and Ecosystem Science Lund University Lund 22362 Sweden. Department of Agronomy and Horticulture University of Nebraska-Lincoln Lincoln NE 68583 USA. School of Ecosystem and Forest Sciences The University of Melbourne Richmond VIC3121 Australia. Department of Biology Research Group PLECO University of Antwerp Antwerp 2610 Belgium. Joint Research Centre European Commission Ispra 21027 Italy. TERRA Teaching and Research Center University of Liege Gembloux B-5030 Belgium. Finnish Meteorological Institute Helsinki 00560 Finland. ES

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Conceptual design of compliant mechanisms using level set method

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中国高等学校学术文摘·机械工程 2006年第2期1卷 131-145页

作者： Shi-kui CHEN Michael Yu WANG Computational Modeling and Design Laboratory Department of Automation and Computer-Aided EngineeringThe Chinese University of Hong KongShatinN.T.Hong KongChina

We propose a level set method-based framework for the conceptual design of compliant *** this method,the compliant mechanism design problem is recast as an infinite dimensional optimization problem,where the design variable is the geometric shape of the compliant mechanism and the goal is to find a suitable shape in the admissible design space so that the objective functional can reach a *** geometric shape of the compliant mechanism is represented as the zero level set of a one-higher dimensional level set function,and the dynamic variations of the shape are governed by the Hamilton-Jacobi partial differential *** application of level set methods endows the optimization process with the particular quality that topological changes of the boundary,such as merging or splitting,can be handled in a natural *** making a connection between the velocity field in the Hamilton-Jacobi partial differential equation with the shape gradient of the objective functional,we go further to transform the optimization problem into that of finding a steady-state solution of the partial differential *** the above-mentioned methodological issues,some numerical examples together with prototypes are presented to validate the performance of the method.

关键词： compliant mechanisms conceptual design level set methods shape gradient Hamilton- Jacobi PDE

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Parametric structural shape and topology optimization method with radial basis functions and level-set method

Parametric structural shape and topology optimization method...

引用

2006 ASME International design Engineering Technical Conferences and Computers and Information In Engineering Conference, DETC2006

作者： Wei, Peng Wang, Michael Yu Computational Modeling and Design Laboratory Dept. of Automation and Computer-Aided Eng. Chinese University of Hong Kong Shatin N.T Hong Kong ASME Hong Kong

ISBN: (纸本)079183784X

In this paper, a parametric structural shape and topology optimization method is presented. To solving structure optimization problems, the level-set method has become a powerful design tool and been widely used in many fields. Combined with the Radial Basis Functions (RBF), which is a popular tool in function approximation, the method of level-set can be represented in a parametric way with a set of advantages comparing with the conventional discrete means. Some numerical examples are presented to illustrate its advantages. Copyright © 2006 by ASME.

关键词： Structural optimization

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Geometric width control in topology optimization using level set method and a quadratic energy functional

Geometric width control in topology optimization using level...

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2006 ASME International design Engineering Technical Conferences and Computers and Information In Engineering Conference, DETC2006

作者： Chen, Shikui Wang, Michael Yu Computational Modeling and Design Laboratory Dept. of Automation and Computer-Aided Eng. Chinese University of Hong Kong Shatin N.T. Hong Kong ASME Hong Kong

ISBN: (纸本)079183784X

A variational approach to geometric width control in topology optimization is presented in this paper. Different from conventional topology optimization approaches which only consider optimizing performance-describing objective functions, a quadratic energy functional governing the feature characteristic of geometric width is employed. In this manner, the geometric feature of the designed structure as well as its functional performance is accounted for. In addition, the quadratic energy function can be seamlessly integrated into the level set model that represents the geometry of the structure implicitly. The approach is demonstrated with benchmark examples of structure optimization and compliant mechanism optimization. The preliminary results show that this method is capable of generating strip-like (or beam) designs with specified feature width, which is a highly desirable characteristic and uniquely distinguishes the proposed method. Copyright © 2006 by ASME.

关键词： computational geometry

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