Semi-analytical solution for the generalized absorbing boundary condition in molecular dynamics simulations

[1]  X. Wang,et al.  Matching boundary conditions for lattice dynamics , 2013 .

[2]  Shaoqiang Tang,et al.  Time history kernel functions for square lattice , 2011 .

[3]  Shaoqiang Tang A Two-Way Interfacial Condition for Lattice Simulations , 2010 .

[4]  C. J. Kimmer,et al.  Efficient non-reflecting boundary condition constructed via optimization of damped layers , 2010 .

[5]  Senganal Thirunavukkarasu,et al.  Phonon absorbing boundary conditions for molecular dynamics , 2009, J. Comput. Phys..

[6]  L. Kantorovich,et al.  Generalized Langevin equation for solids. II. Stochastic boundary conditions for nonequilibrium molecular dynamics simulations , 2008 .

[7]  L. Kantorovich Generalized Langevin equation for solids. I. Rigorous derivation and main properties , 2008 .

[8]  E Weinan,et al.  Variational boundary conditions for molecular dynamics simulations of crystalline solids at finite temperature: Treatment of the thermal bath , 2007 .

[9]  Eduard G. Karpov,et al.  Domain reduction method for atomistic simulations , 2006, J. Comput. Phys..

[10]  Harold S. Park,et al.  Multiscale boundary conditions in crystalline solids: Theory and application to nanoindentation , 2006 .

[11]  Shaofan Li,et al.  Perfectly matched multiscale simulations for discrete lattice systems: Extension to multiple dimensions , 2006 .

[12]  Thomas Y. Hou,et al.  A pseudo-spectral multiscale method: Interfacial conditions and coarse grid equations , 2006, J. Comput. Phys..

[13]  Harold S. Park,et al.  Nano Mechanics and Materials: Theory, Multiscale Methods and Applications , 2006 .

[14]  Shaofan Li,et al.  Perfectly matched multiscale simulations , 2005 .

[15]  Eduard G. Karpov,et al.  A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations , 2005 .

[16]  Harold S. Park,et al.  The bridging scale for two-dimensional atomistic/continuum coupling , 2005 .

[17]  Eduard G. Karpov,et al.  Molecular dynamics boundary conditions for regular crystal lattices , 2004 .

[18]  Gregory J. Wagner,et al.  Coupling of atomistic and continuum simulations using a bridging scale decomposition , 2003 .

[19]  W. Cai,et al.  Minimizing boundary reflections in coupled-domain simulations. , 2000, Physical review letters.

[20]  M. Moseler,et al.  Reduction of the reflected pressure wave in the molecular-dynamics simulation of energetic particle-solid collisions , 1997 .

[21]  J. D. Doll,et al.  Generalized Langevin equation approach for atom/solid-surface scattering: General formulation for classical scattering off harmonic solids , 1976 .

[22]  Jimmie D. Doll,et al.  Generalized Langevin equation approach for atom/solid-surface scattering: Inelastic studies , 1975 .

[23]  J. D. Doll,et al.  Generalized Langevin equation approach for atom/solid‐surface scattering: Collinear atom/harmonic chain model , 1974 .

[24]  Anja Walter,et al.  Nano Mechanics And Materials Theory Multiscale Methods And Applications , 2016 .

[25]  Xiantao Li,et al.  Variational Boundary Conditions for Molecular Dynamics Simulations of Solids at Low Temperature , 2005 .