Mesh refinement schemes for the concurrent atomistic-continuum method

[1]  David L. McDowell,et al.  Coarse-grained elastodynamics of fast moving dislocations , 2016 .

[2]  David L. McDowell,et al.  Sequential slip transfer of mixed-character dislocations across Σ3 coherent twin boundary in FCC metals: a concurrent atomistic-continuum study , 2016 .

[3]  David L. McDowell,et al.  A quasistatic implementation of the concurrent atomistic-continuum method for FCC crystals , 2015 .

[4]  William A. Curtin,et al.  Parallel algorithm for multiscale atomistic/continuum simulations using LAMMPS , 2015 .

[5]  Peter Gumbsch,et al.  Atomistic aspects of fracture , 2015, International Journal of Fracture.

[6]  Nancy Wilkins-Diehr,et al.  XSEDE: Accelerating Scientific Discovery , 2014, Computing in Science & Engineering.

[7]  Z. Yue,et al.  Molecular dynamics simulation of crack propagation behaviors at the Ni/Ni3Al grain boundary , 2014 .

[8]  David L. McDowell,et al.  Prediction of phonon properties of 1D polyatomic systems using concurrent atomistic–continuum simulation , 2014 .

[9]  David L. McDowell,et al.  Sub-THz Phonon drag on dislocations by coarse-grained atomistic simulations , 2014 .

[10]  M. Buehler,et al.  Failure of Graphdiyne: Structurally Directed Delocalized Crack Propagation , 2013 .

[11]  Ted Belytschko,et al.  Adaptive atomistic‐to‐continuum modeling of propagating defects , 2012 .

[12]  V. Bulatov,et al.  Automated identification and indexing of dislocations in crystal interfaces , 2012 .

[13]  David L. McDowell,et al.  Coarse-Grained Atomistic Simulations of Dislocations in Al Ni and Cu Crystals. , 2012 .

[14]  Youping Chen,et al.  Coarse-Grained Atomistic Modeling and Simulation of Inelastic Material Behavior , 2012 .

[15]  A. Stukowski.  Structure identification methods for atomistic simulations of crystalline materials , 2012, 1202.5005.

[16]  David L. McDowell,et al.  A concurrent scheme for passing dislocations from atomistic to continuum domains , 2012 .

[17]  David L. McDowell,et al.  Assessment of atomistic coarse-graining methods , 2011 .

[18]  Ellad B. Tadmor,et al.  Modeling Materials: Continuum, Atomistic and Multiscale Techniques , 2011 .

[19]  Ted Belytschko,et al.  An adaptive concurrent multiscale method for the dynamic simulation of dislocations , 2011 .

[20]  David L. McDowell,et al.  Coarse-grained atomistic simulation of dislocations , 2011 .

[21]  Youping Chen,et al.  Coarse-graining atomistic dynamics of brittle fracture by finite element method , 2010 .

[22]  Jae Hyuk Lim,et al.  An efficient three-dimensional adaptive quasicontinuum method using variable-node elements , 2009, J. Comput. Phys..

[23]  Ted Belytschko,et al.  Concurrently coupled atomistic and XFEM models for dislocations and cracks , 2009 .

[24]  Youping Chen,et al.  Reformulation of microscopic balance equations for multiscale materials modeling. , 2009, The Journal of chemical physics.

[25]  Youping Chen,et al.  Multiscale modeling and simulation of single-crystal MgO through an atomistic field theory , 2009 .

[26]  Huajian Gao,et al.  Deformation gradients for continuum mechanical analysis of atomistic simulations , 2009 .

[27]  Jong Youn Park,et al.  Adaptive nonlocal quasicontinuum for deformations of curved crystalline structures , 2008 .

[28]  Mitchell Luskin,et al.  Goal-Oriented Adaptive Mesh Refinement for the Quasicontinuum Approximation of a Frenkel-Kontorova Model , 2007, 0711.1876.

[29]  Ju Li,et al.  Theory of Shear Banding in Metallic Glasses and Molecular Dynamics Calculations , 2007 .

[30]  Masoud K. Darabi,et al.  Molecular dynamics simulation of crack propagation in fcc materials containing clusters of impurities , 2006 .

[31]  Youping Chen.  Local stress and heat flux in atomistic systems involving three-body forces. , 2006, The Journal of chemical physics.

[32]  A. Nakano,et al.  Brittle dynamic fracture of crystalline cubic silicon carbide "3C-SiC… via molecular dynamics simulation , 2005 .

[33]  Youping Chen,et al.  Atomistic formulation of a multiscale field theory for nano/micro solids , 2005 .

[34]  O. C. Zienkiewicz,et al.  The Finite Element Method: Its Basis and Fundamentals , 2005 .

[35]  William A. Curtin,et al.  Multiscale plasticity modeling: coupled atomistics and discrete dislocation mechanics , 2004 .

[36]  Youping Chen,et al.  Connecting molecular dynamics to micromorphic theory. (II). Balance laws , 2003 .

[37]  Youping Chen,et al.  Connecting molecular dynamics to micromorphic theory. (I). Instantaneous and averaged mechanical variables , 2003 .

[38]  Youping Chen,et al.  Determining material constants in micromorphic theory through phonon dispersion relations , 2003 .

[39]  Ronald E. Miller,et al.  The Quasicontinuum Method: Overview, applications and current directions , 2002 .

[40]  Rajiv K. Kalia,et al.  ATOMISTIC ASPECTS OF CRACK PROPAGATION IN BRITTLE MATERIALS: Multimillion Atom Molecular Dynamics Simulations , 2002 .

[41]  Arthur F. Voter,et al.  Structural stability and lattice defects in copper: Ab initio , tight-binding, and embedded-atom calculations , 2001 .

[42]  Ted Belytschko,et al.  Arbitrary discontinuities in finite elements , 2001 .

[43]  Wing Kam Liu,et al.  Nonlinear Finite Elements for Continua and Structures , 2000 .

[44]  J. Q. Broughton,et al.  Concurrent Coupling of Length Scales in Solid State Systems , 2000 .

[45]  T. Belytschko,et al.  A finite element method for crack growth without remeshing , 1999 .

[46]  Ted Belytschko,et al.  Elastic crack growth in finite elements with minimal remeshing , 1999 .

[47]  Noam Bernstein,et al.  Spanning the continuum to quantum length scales in a dynamic simulation of brittle fracture , 1998 .

[48]  A. Hartmaier,et al.  Controlling factors for the brittle-to-ductile transition in tungsten single crystals , 1998, Science.

[49]  J. C. Hamilton,et al.  Dislocation nucleation and defect structure during surface indentation , 1998 .

[50]  William Schroeder,et al.  The Visualization Toolkit: An Object-Oriented Approach to 3-D Graphics , 1997 .

[51]  David Lifka,et al.  Instability dynamics in three-dimensional fracture: An atomistic simulation , 1997 .

[52]  F. Abraham,et al.  On the transition from brittle to plastic failure in breaking a nanocrystal under tension (NUT) , 1997 .

[53]  M. Ortiz,et al.  Quasicontinuum analysis of defects in solids , 1996 .

[54]  Sidney Yip,et al.  A molecular-dynamics simulation of crack-tip extension: The brittle-to-ductile transition , 1994 .

[55]  Steve Plimpton,et al.  Fast parallel algorithms for short-range molecular dynamics , 1993 .

[56]  R. C. Wetherhold,et al.  Improving stability in the double-cantilever-beam fracture test , 1991 .

[57]  S. Phillpot,et al.  Formalism for the calculation of local elastic constants at grain boundaries by means of atomistic simulation , 1990 .

[58]  M. Baskes,et al.  Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals , 1984 .

[59]  M. Karplus,et al.  Stochastic boundary conditions for molecular dynamics simulations of ST2 water , 1984 .

[60]  D. R. Barker,et al.  A brittle to ductile transition in NiAl of a critical grain size , 1983 .

[61]  L. Verlet.  Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules , 1967 .

[62]  Jie Yin,et al.  Stress dependence of cross slip energy barrier for face-centered cubic nickel , 2014 .

[63]  Youping Chen,et al.  A COARSE-GRAINED ATOMISTIC METHOD FOR 3D DYNAMIC FRACTURE SIMULATION , 2013 .

[64]  A. Stukowski.  Modelling and Simulation in Materials Science and Engineering Visualization and analysis of atomistic simulation data with OVITO – the Open Visualization Tool , 2009 .

[65]  Guanshui Xu.  Chapter 65 - Dislocation Nucleation from Crack Tips And Brittle to Ductile Transitions in Cleavage Fracture , 2004 .

[66]  W. Püschl,et al.  Models for dislocation cross-slip in close-packed crystal structures: a critical review , 2002 .

[67]  Vivek B. Shenoy,et al.  Finite Temperature Quasicontinuum Methods , 1998 .