Guidance to design grain boundary mobility experiments with molecular dynamics and phase-field modeling

[1]  O. Hunderi,et al.  Computer simulation of grain growth , 1979 .

[2]  M. Parrinello,et al.  Polymorphic transitions in single crystals: A new molecular dynamics method , 1981 .

[3]  P. S. Sahni,et al.  Computer simulation of grain growth—I. Kinetics , 1984 .

[4]  H. Berendsen,et al.  Molecular dynamics with coupling to an external bath , 1984 .

[5]  P. S. Sahni,et al.  Computer simulation of grain growth—II. Grain size distribution, topology, and local dynamics , 1984 .

[6]  C. V. Thompson,et al.  A two-dimensional computer simulation of capillarity-driven grain growth: Preliminary results , 1988 .

[7]  Foiles,et al.  Evaluation of harmonic methods for calculating the free energy of defects in solids. , 1994, Physical review. B, Condensed matter.

[8]  D. Molodov,et al.  Effect of pressure on grain boundary migration in aluminium bicrystals , 1994 .

[9]  U. Czubayko,et al.  Mobility of 〈111〉 tilt grain boundaries in the vicinity of the special misorientation ∑=7 in bicrystals of pure aluminium , 1995 .

[10]  Long-Qing Chen,et al.  COMPUTER SIMULATION OF GRAIN GROWTH USING A CONTINUUM FIELD MODEL , 1997 .

[11]  U. Czubayko,et al.  On the effect of purity and orientation on grain boundary motion , 1998 .

[12]  D. Srolovitz,et al.  Misorientation dependence of intrinsic grain boundary mobility: simulation and experiment , 1999 .

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

[14]  Andrew J. Haslam,et al.  Mesoscopic simulation of two-dimensional grain growth with anisotropic grain-boundary properties , 2002 .

[15]  Dongdong Wang,et al.  A variational formulation and a double-grid method for meso-scale modeling of stressed grain growth in polycrystalline materials , 2004 .

[16]  G. Gottstein,et al.  Comparative study of grain-boundary migration and grain-boundary self-diffusion of [0 0 1] twist-grain boundaries in copper by atomistic simulations , 2005 .

[17]  D. Srolovitz,et al.  Curvature driven grain boundary migration in aluminum: molecular dynamics simulations , 2005 .

[18]  Alain Karma,et al.  Interface Mobility from Interface Random Walk , 2006, Science.

[19]  Akira Suzuki,et al.  Coupling grain boundary motion to shear deformation , 2006 .

[20]  Stephen M. Foiles,et al.  Computation of grain boundary stiffness and mobility from boundary fluctuations , 2006 .

[21]  Won Tae Kim,et al.  Computer simulations of two-dimensional and three-dimensional ideal grain growth. , 2006, Physical review. E, Statistical, nonlinear, and soft matter physics.

[22]  Yun-tao Li,et al.  A mesoscale cellular automaton model for curvature-driven grain growth , 2006 .

[23]  G. Wellman,et al.  Simulating Grain Growth in a Deformed Polycrystal by Coupled Finite-Element and Microstructure Evolution Modeling , 2007 .

[24]  S. Osher,et al.  A multiple level set method for modeling grain boundary evolution of polycrystalline materials , 2008 .

[25]  Bart Blanpain,et al.  Quantitative analysis of grain boundary properties in a generalized phase field model for grain growth in anisotropic systems , 2008 .

[26]  Mark T. Lusk,et al.  Parallelized hybrid Monte Carlo simulation of stress-induced texture evolution , 2010, 1009.0457.

[27]  W. Cai,et al.  Analysis of the elastic strain energy driving force for grain boundary migration using phase field simulation , 2010 .

[28]  Y. Mishin,et al.  Atomistic modeling of interfaces and their impact on microstructure and properties , 2010 .

[29]  Atomistic simulation of slow grain boundary motion. , 2011, Physical review letters.

[30]  M. Tonks,et al.  Phase Field Simulations of Elastic Deformation-Driven Grain Growth in 2D Copper Polycrystals , 2011 .

[31]  Y. Mishin,et al.  Grain boundary migration and grain rotation studied by molecular dynamics , 2012 .

[32]  David Andrs,et al.  An Object-Oriented Finite Element Framework for Multiphysics Phase Field Simulations , 2012 .