A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations

From MaRDI portal
Publication:5711725

DOI10.1002/nme.1234zbMath1080.74050OpenAlexW2072081441MaRDI QIDQ5711725

Wing Kam Liu, Gregory J. Wagner, Eduard G. Karpov

Publication date: 8 December 2005

Published in: International Journal for Numerical Methods in Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/nme.1234



Related Items

Wave filtering through a selective perfectly matched layer in multiscale couplings with dynamically incompatible models, Replica time integrators, Stable absorbing boundary conditions for molecular dynamics in general domains, Bridging scale methods for nanomechanics and materials, A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method, Variational boundary conditions for molecular dynamics simulations: treatment of the loading condition, Artificial boundary conditions for out-of-plane motion in penta-graphene, Nonreflecting boundary conditions for discrete waves, Artificial boundary conditions for Euler-Bernoulli beam equation, Domain reduction method for atomistic simulations, Explicit formula for amplitudes of waves in lattices with defects and sources and its application for defects detection, A damping boundary condition for coupled atomistic-continuum simulations, Comparison of several staggered atomistic-to-continuum concurrent coupling strategies, A spectral multiscale method for wave propagation analysis: atomistic-continuum coupled simulation, Matching boundary conditions for lattice dynamics, Selective damping method for the weak-Arlequin coupling of molecular dynamics and finite element method, Coarse-graining molecular dynamics models using an extended Galerkin projection method, Artificial boundary conditions for atomic simulations of face-centered-cubic lattice, Time history kernel functions for square lattice, A finite difference approach with velocity interfacial conditions for multiscale computations of crystalline solids, A domain-reduction approach to bridging-scale simulation of one-dimensional nanostructures, Semi-analytical solution for the generalized absorbing boundary condition in molecular dynamics simulations, Wave propagation through periodic lattice with defects, Predictive multiscale theory for design of heterogeneous materials, Eliminating corner effects in square lattice simulation, An Effective and Easy-to-Implement Boundary Condition for Molecular Dynamics Simulations, A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks, An introduction to computational nanomechanics and materials, A bridging domain method for coupling continua with molecular dynamics, A temperature equation for coupled atomistic/continuum simulations, An introduction and tutorial on multiple-scale analysis in solids, Bridging multi-scale method for localization problems, Matching boundary conditions for diatomic chains, Adaptive spacetime method using Riemann jump conditions for coupled atomistic-continuum dynamics, Three-dimensional bridging scale analysis of dynamic fracture, Dynamics of steps along a martensitic phase boundary. II: Numerical simulations, A coupling atomistic-continuum approach for modeling mechanical behavior of nano-crystalline structures, Phonon absorbing boundary conditions for molecular dynamics, A three-layer-mesh bridging domain for coupled atomistic-continuum simulations at finite temperature: formulation and testing, Algorithms for bridging scale method parameters, Time history interfacial conditions in multiscale computations of lattice oscillations, Traction boundary conditions for molecular static simulations, Algebra of multidimensional periodic operators with defects



Cites Work