Multiscale Simulation

Representative publications:

  • H. Tan and W. Yang, 1994. Atomistic/continuum simulation of interfacial fracture, part II: atomistic/dislocation/continuum simulation. ActaMechanicaSinica, 10, 237-249.
  • W. Yang, H. Tan and T.F. Guo, 1994. Evolution of crack tip process zones. Modelling and Simulation in Materials Science and Engineering, 2, 767-782.
  • H. Tan and J.A. Nairn, 2002. Hierarchical, adaptive, material point method in parallel dynamic energy release rate calculations. Computer Methods in Applied Mechanics and Engineering, 191, 2095-2109.

Citation impact of the above papers

  1. Our combined atomistic and continuum approach was cited in the paper "Simulation of nucleation and emission of dislocations by molecular-dynamics method", published in Journal of Applied Physics, 1995, pp. 2393-2399, authored by: * Professor Yongwei Zhang, Department of Materials Science and Engineering, National University of Singapore; * Dr. Qiheng Tang and Professor Tzuchiang Wang at the State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences. They pointed out that: "Tan and Yang used the embedded-atom method to calculate the nucleation and emission of dislocations at and near the crack tip. A new combined atomistic-continuum method was proposed."
  1. Results from our combined atomistic and continuum simulation was used by * Professor Wei Yang, Department of Engineering Mechanics, Tsinghua University, in his book Macroscopic and Microscopic Fracture Mechanics, published by the National Defense Press, China, 1995.
  1. Our combined atomistic and continuum approach was cited in the paper "Molecular dynamics simulation of crack tip processes in Cu" (ActaMechanicaSinica, 1995, pp. 76-82) by: * Professor Yongwei Zhang, Department of Materials Science and Engineering, National University of Singapore; * Dr. Qiheng Tang and Professor Tzuchiang Wang at the State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences.
  1. Our work on combined atomistic and continuum simulation contributes to the project "Combined Macroscopic and Microscopic Study on the Constitutive Theory and Fracture of Solid Materials", which received the First Prize of National Science and Technology Progress Award by the State Education Commission of China.
  1. Our atomistic modeling of interracial separation was cited in the paper "Numerical simulations of dynamic interfacial crack growth allowing for crack growth away from the bond line" ( International Journal of Fracture, 1996, vol. 74, pp. 253-275 ) by * Dr. X.-R. Xu at the Materials Department, College of Engineering, University of California Santa Barbara, and * Professor Alan Needleman at the Division of Engineering, Brown University, USA.
  1. Our combined atomistic and continuum simulation was cited in the paper "A combined method of molecular dynamics with micromechanics improved by moving the molecular dynamics region successively in the simulation of elastic-plastic crack propagation" ( International Journal of Fracture, 1998, pp. 17-31 ), by Professor Hiroshi Noguchi at the Department of Mechanical Engineering, Faculty of Engineering, Kyushu University and Dr. Yoshiyuki Furuya at the National Institute for Materials Science, Japan.
  1. Our combined atomistic and continuum approach was cited in the paper "Correlative reference model and molecular dynamics simulation of dislocation emission process" (Computational Materials Science, 1998, pp. 73-83) by Dr. Qiheng Tang and Professor Tzuchiang Wang at the State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences.
  1. Our works on combined atomistic and continuum studies, catastrophic cleavage and chaotic dislocation emission were cited in the Annual Report (1998) of the US Department of Energy'sAccelerated Strategic Computing Initiative (ASCI) Center for the Simulation of the Accidental Fires and Explosions . The report was submitted to the Lawrence Livermore National Laboratory.
  1. Our combined atomistic/continuum simulation method was cited in a paper on crack tip superblunting in semi-crystalline polymers ( Journal of the Mechanics and Physics of Solids, 1998, pp. 337-355), authored by Professor Wei Yang, Professor QuanshuiZheng at the Department of Engineering Mechanics, Tsinghua University; and Dr. Mingxiang Chen at the Department of Electric Power Engineering, Wuhan University of Hydraulic and Electric Engineering, China.
  1. Our combined atomistic and continuum simulation was cited in a review paper "Nanomechanics of Defects in Solids" (Advances in Applied Mechanics, 1999, pp. 179 ) by Professor Michael Ortiz ( Solid Mechanics group, Graduate Aeronautical Laboratories ) and Professor Rob Phillips ( Applied Physics group , Division of Engineering and Applied Science) at the California Institute of Technology. They commented that:: "Mixed continuum/atomistic approaches developed by Yang, Tan and Guo provide a very interesting twist on conventional lattice statics schemes in that they simultaneously reduce the computational overhead and allow for the consideration of large length scales than are normally contemplated in the traditional atomistic setting. Such simulations have been especially revealing in consideration of the competition between cleavage and dislocation emission at an atomistically sharp crack tip."
  1. Our combined atomistic and continuum approach was cited in the paper "Dislocations emission and crack extension at the atomistic crack tip in body-centered-cubic metal Mo" (Journal of Materials Research, 1999, pp. 4035-4043) by Dr. Qiheng Tang and Professor Tzuchiang Wang at the State Key Laboratory of Nonlinear Mechanics (LNM), Institute of Mechanics, Chinese Academy of Sciences.
  1. Our combined atomistic and continuum simulation was cited in the Theme Article - A Dislocation Model for the Directional Anisotropy of Grain-Boundary Fracture (MRS Bulletin, 2000, pp. 21-26) by * Professor Glenn Beltz at the Department of Mechanical Engineering , University of California, Santa Barbara, and * Dr. Don Lipkin, a material scientist at the General Electric Corporate Research and Development.
  1. Our work was cited in the Online Knowledge Dictionary on mesomechanics and micromechanics.
  1. Our work on hierarchical adaptive MPM was reported in the Annual Reports (2000) of the US Department of Energy's Accelerated Strategic Computing Initiative (ASCI) Center for the Simulation of the Accidental Fires and Explosions . The report was submitted to the Lawrence Livermore National Laboratory.
  1. Our combined atomistic/continuum simulation method was cited in a paper on transient dislocation emission from a crack tip ( Journal of the Mechanics and Physics of Solids, 2001, pp. 2431-2453 ), authored by Professor Wei Yang and Jiacai Tang at the Department of Engineering Mechanics, Tsinghua University, in collaboration with a group at the Department of Mechanical Engineering, National Taiwan University ( Professor Chien-Ching Ma and Yi-ShyongIng).
  1. Our combined atomistic and continuum simulation was cited in the paper "Molecular dynamics study on low temperature brittleness in tungsten single crystals" (International Journal of Fracture, 2001, pp. 139-158) authored by: * Dr. Yoshiyuki Furuya at the National Institute for Materials Science, Japan; * Professor Hiroshi Noguchi at the Department of Mechanical Engineering, Faculty of Engineering, Kyushu University, Japan; and * Professor Siegfried Schmauder, Institute of Materials Testing, Materials Science and Strength of Materials (IMWF), University of Stuttgart, Germany.
  1. Dr. Yoshiyuki Furuya at the National Institute for Materials Science, Japan, and Professor Hiroshi Noguchi at the Department of Mechanical Engineering, Faculty of Engineering, Kyushu University, commented in their paper "Combined Method of Molecular Dynamics with Micromechanics in Simulations of Crack Propagation" ( Materials Transactions, 2001, pp. 45-51 ) that: "Yang, Tan and Guo firstly proposed a method where emitted dislocations could pass through the boundary. In their method the continuum region was divided into two regions. The outer region was calculated with a finite element method, and the inner region was calculated with an elastic continuum where the movement of dislocations was analyzed dynamically."
  1. Our combined atomistic and continuum simulation was used in studying transient dislocation emission from a crack tip subject to dynamics mode III loading (Archive of Applied Mechanics, 2001, pp. 567-576 by scientists from the School of Civil Engineering and Architecture , Northern Jiaotong University, China ( Professor Yuesheng Wang and Dr. Ganyun Huang ), and Institute of Mechanics, Technical University of Darmstadt, Germany ( Prof. Dr.-Ing. Dietmar Gross).
  1. Our work on hierarchical adaptive MPM was reported in the Annual Reports (2001) of the US Department of Energy's Accelerated Strategic Computing Initiative (ASCI) Center for the Simulation of the Accidental Fires and Explosions . The report was submitted to the Lawrence Livermore National Laboratory.
  1. Our combined atomistic and continuum simulation was cited in a review paper, "Recent Advances of Numerical Simulation Methods in Nanomechanics" (Advances in Mechanics, 2002, volume 32, issue 2), authored by Professor Tienchong Chang, College of Civil Engineering, Tongji University, and Professor Wanlin Guo, Department of Aircraft Engineering Nanjing University of Aeronautics and Astronautics, China.
  1. Our combined atomistic and continuum simulation was used in studying transient dislocation emission from a crack tip subject to dynamics mode II loading (Zeitschrift fur AngewandteMathematik und Physik, 2002, pp. 839-854) by scientists from the School of Civil Engineering and Architecture , Northern Jiaotong University, China ( Professor Yuesheng Wang and Dr. Ganyun Huang ), and Institute of Mechanics, Technical University of Darmstadt, Germany ( Prof. Dr.-Ing. Dietmar Gross).
  1. Our combined atomistic and continuum simulation was cited in the paper "A coupled atomistic/continuum model of defects in solids" (Journal of the Mechanics and Physics of Solids, 2002, pp. 2085-2106) by Professor William Curtin and Dr. Leonid Shilkrot at the Division of Engineering, Brown University, and Professor Ronald Miller at the Department of Mechanical and Aerospace Engineering, Carleton University, Canada.
  1. Our work on combined atomistic and continuum simulation was cited by Professor Wei Yang, Xinling Ma, Hongtao Wang and Wei Hong at the Department of Engineering mechanics, Tsinghua University, China, in the review paper "Advances in Nanomechanics" (Advances in Mechanics, 2002, pp. 161-174).
  1. Our work on combined atomistic and continuum simulation was cited by Professor William Curtin (Division of Engineering, Brown University, USA) and Professor Ronald Miller (Department of Mechanical and Aerospace Engineering, Carleton University, Canada) in a review paper, "Atomistic/continuum coupling in computational materials science" ( Modelling and Simulation in Materials Science and Engineering, 2003, R33–R68 ).
  1. Our work on combined atomistic and continuum simulation was cited by Professor Wei Yang, Hongtao Wang, Xinling Ma and Wei Hong at the Department of Engineering mechanics, Tsinghua University, China, in the review paper "Advances in Nanomechanics - part II" (Advances in Mechanics, 2003, pp. 175-186).
  1. Our combined atomistic and continuum simulation was cited in the paper "Atomistic/continuum coupling in computational materials science" (Modelling and Simulation in Materials Science and Engineering, 2003, pp. R33-R68) by Professor William Curtin at the Division of Engineering, Brown University, USA, and Professor Ronald Miller at the Department of Mechanical and Aerospace Engineering, Carleton University, Canada.
  1. Our combined atomistic/continuum simulation method was cited in a paper on the formation, deformation, and evolution of nanocrystals at a fast strain rate (ActaMechanicaSinica, 2003, pp. 485-507) by Xinling Ma and Professor Wei Yang in the Department of Engineering Mechanics, Tsinghua University.
  1. Our work on combined atomistic and continuum simulation of fracture and corrosion was selected as a Sample of the Contents in the Announcing Brochure of a 10 volume reference book " Comprehensive Structural Integrity " edited by: * Professor BhushanKarihaloo at the Institute of Theoretical, Applied and Computational Mechanics, Cardiff University; * Professor Roberty Ritchie at the Department of Materials Science & Engineering, University of California, Berkeley; and * Dr Ian Milne at the Structural Integrity Management, Derbyshire, UK. The book was published by Elsevier Science, March 2003.
  1. Our combined atomistic and continuum simulation was cited in the paper "Exact solution of a flat smooth punch on a piezoelectric half plane" (Mechanics Research Communications, 2003, pp. 455-461) by Professor TianhuHao at the China Textile University.
  1. Our hierarchical adaptive MPM was cited in the paper "Material Point Method Calculations with Explicit Cracks" (Computer Modeling in Engineering and Sciences, 2003, vol.4, no.6, pp.649-663) by Professor John Nairn, Oregon State University.
  1. Our combined atomistic and continuum simulation was used in the paper "The atomic-scale finite element method" (Computer Methods in Applied Mechanics and Engineering, 2004, pp. 1849-1864) by: * Professor Bin Liu and Professor Keh-Chih Hwang at the Department of Engineering Mechanics, Tsinghua University, China; * Professor Young Huang at the Department of Civil/Environmental Engineering, and Department of Mechanical Engineering, Northwestern University; * Professor Hanqing Jiang at the Department of Mechanical and Aerospace Engineering, Arizona State University; and * Professor ShaoxingQu at the School of Aeronautics and Astronautics, Zhejiang University.
  1. Our combined atomistic and continuum simulation was cited in the paper "Multiscale plasticity modeling: coupled atomistics and discrete dislocation mechanics" (Journal of the Mechanics and Physics of Solids, 2004, pp. 755-787) by Professor William Curtin and Dr. Leonid Shilkrot at the Division of Engineering, Brown University, and Professor Ronald Miller at the Department of Mechanical and Aerospace Engineering, Carleton University, Canada.
  1. Our hierarchical adaptive Material Point Method was cited in the paper "МЕТОДЫ СОВМЕЩЕННЫХ СЕТОК И ВИРТУАЛЬНЫХ Z-ЯЧЕЕК" authored by Dr. Polyakov Sergey Vladimirovich, Институттепло и массообменаим. А.В. Лыкова, and presented at the 5th Minsk International Heat and Mass Transfer Forum - MIF-2004.
  1. Our paper on hierarchical, adaptive, Material Point Method was among the publication list of Department of Energy's Site Visit (2004) to the Center for the Simulation of Accidental Fires and Explosions at the University of Utah.
  1. Our combined atomistic and continuum simulation was cited in the paper "A coupled atomistics and discrete dislocation plasticity simulation of nanoindentation into single crystal thin films" (ActaMaterialia, 2004, pp. 271-284) by Professor Ronald Miller at the Department of Mechanical and Aerospace Engineering, Carleton University, Canada, and Dr. Leonid Shilkrot and Professor William Curtin at the Division of Engineering, Brown University.
  1. Our work on combined atomistic and continuum simulation was cited by Professor Wei Yang at the Department of Engineering Mechanics, Tsinghua University, China, in the paper "The Mechanics Characteristic of Micro-Nanoscale" (World Sci-Tech R&D, 2004, vol 26, no. 4).
  1. Our hierarchical adaptive MPM was cited in the paper "Calculation of J-Integral and Stress Intensity Factors using the Material Point Method" (Computer Modeling in Engineering and Sciences, 2004, pp. 295-308) by Dr. Yajun Guo and Professor John Nairn at the University of Utah, USA.
  1. Our combined atomistic and continuum simulation was cited in a review on computational nano-mechanics and multi-scale simulation (Computers, Materials and Continua, 2004, pp. 59-90) ) by Professor SatyaAtluri and Dr. ShengpingShen at the Center for Aerospace Research and Education's (CARE), University of California, Irvine, USA.
  1. My work on multiscale simulation was cited in the webpage of the Zhejiang California International NanoSystems Institute (ZCNI), China. ZCNI is a first of its kind research and technology innovation platform in China established on June, 2005 at Hangzhou, Zhejiang, whose mission is to accelerate the application of nanotechnology in biology, medicine, material, information technology, chemistry etc.
  1. Our hierarchical adaptive Material Point Method was cited in the paper "Multiscale Simulations Using Generalized Interpolation Material Point (GIMP) Method and SAMRAI Parallel Processing" (Computer Modeling in Engineering and Sciences, 2005, pp. 135-152) by: * Professor RangaKomanduri, Professor Hongbing Lu, Jin Ma, Professor Bo Wang and Professor Samit Roy, at the School of Mechanical and Aerospace Engineering, Oklahoma State University, and * Dr. Richard Hornung and Dr. Andrew Wissink, Lawrence Livermore National Laboratory, USA.
  1. Our combined atomistic and continuum method was cited in Douglas Spearot's PhD Dissertation (Georgia Institute of Technology, 2005), "Atomistic Calculations of Nanoscale Interface Behavior in FCC Metals". It was commented that: "Original multi-region techniques coupled forces and displacements between two regions through an iterative process. More advanced methods (Yang, Tan and Guo, 1994; Gumbsch, 1995; Rafii-Tabar et al., 1998) allow for a smoother coupling between the atomic and continuum domains via transition zones or intermediate regions." Dr. Douglas Spearot was co-supervised by * Professor David McDowell and * Professor Karl Jacob at the George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology.
  1. Our paper on hierarchical adaptive MPM was cited in an article, "Multiscale simulation for high energy cluster impacts and induced damage", authored by Professor Wei Yang and Z. Guo at the Department of Engineering Mechanics, Tsinghua University, and presented at the 11th International Conference on Fracture, Turin, Italy, 2005.
  1. Our hierarchical adaptive Material Point Method was cited in the paper "Two-dimensional Mixed Mode Crack Simulation Using the Material Point Method" (Mechanics of Advanced Materials and Structures, 2005, pp. 471-484) by Professor Bo Wang, V. Karuppiah, Professor Hongbing Lu, Professor Samit Roy and Professor RangaKomanduri at the School of Mechanical and Aerospace Engineering , Oklahoma State University.
  1. Our work on combined atomistic and continuum simulation of fracture and corrosion, was cited in the paper "Thermomechanical continuum representation of atomistic deformation at arbitrary size scales" (Proceedings of The Royal Society A, 2005, pp. 3437–3472) by Professor Min Zhou at the School of Materials Science and Engineering, Georgia Institute of Technology, USA.
  1. Our hierarchical adaptive MPM was cited in an article on simulating the transition from localization to decohesion in the delamination process (Z. angew. Math. Phys., 2005, pp. 908-930) by scientists from: * University of Missouri-Columbia ( Professor Zhen Chen and LumingShen), USA; * City University of Hong Kong ( Professor YaogenShen ); and * University of Sydney (Professor Yiu-Wing Mai), Australia.
  1. Our combined atomistic and continuum method was cited in Shang Ma's Master Thesis (School of Aerospace, Tsinghua University, 2005), "Material Point Method for 3D Hypervelocity Impact Simulation". Shang Ma was supervised by Professor Xiong Zhang at the Department of Engineering Mechanics, Tsinghua University.
  1. Our combined atomistic and continuum simulation was used in the paper "Atomic-scale finite element method in multiscale computation with applications to carbon nanotubes" (Physical Review B - Condensed Matter and Materials Physics, 2005, art. no. 035435, pp. 1-8) by: * Professor Bin Liu at the Department of Engineering Mechanics, Tsinghua University; * Professor Hanqing Jiang at the Department of Mechanical and Aerospace Engineering, Arizona State University; * Professor Young Huang at the Department of Civil/Environmental Engineering, and Department of Mechanical Engineering, Northwestern University; * Professor ShaoxingQu at the Zhejiang University; and * Professor Min-Feng Yu at the Department of Mechanical Science and Engineering, University of Illinois at Urbana-Champaign.
  1. Our effort to improve the Mater Point Method in spatial discretization was cited in the paper "A bifurcation-based decohesion model for simulating the transition from localization to decohesion with the MPM" ( ZeitschriftfürAngewandteMathematik und Physik (ZAMP) , 2005, pp. 908-930) by * Professor Zhen Chen and LumingShen at the Department of Civil and Environmental Engineering, University of Missouri-Columbia, USA; * Professor Yiu-Wing Mai at the Center for Advanced Materials Technology (CAMT), School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Australia; and * Professor YaogenShen at the Department of Manufacturing Engineering & Engineering Management, City University of Hong Kong.
  1. Our work on Material Point Method was cited in the paper "Application of Material Point Method to shock load problems" (Engineering Mechanics, 2006, vol 23, issue 5) by Yuxin Wang, Professor YuanxianGu, Professor Ming Sun at the State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, China.
  1. Based on our atom-string model, atomic-scale chaotic and stochastic bifurcative motions at a fatigue crack tip were studied by Professor Jun-Jiang Xiong at the Beijing University of Aeronautics and Astronautics , China.