Coupled atomistic--continuum simulations using arbitrary overlapping domains

DOI10.1016/J.JCP.2005.08.014MaRDI QIDQ2490300zbMATH OpenOpenAlexFDO

Authors Yanyan Li

Publication date 28 April 2006

Published in Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.jcp.2005.08.014

zbMATH Keywords

Finite elementsCouplingContinuum mechanicsAtomistic simulation

Mathematics Subject Classification ID

Numerical approximation of solutions of dynamical problems in solid mechanics (74H15)

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Cites work

• scientific article; zbMATH DE number 4033243 (Why is no real title available?)
• scientific article; zbMATH DE number 936298 (Why is no real title available?)
• A bridging domain method for coupling continua with molecular dynamics
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• An analysis of the quasicontinuum method
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Harmonic Dispersion Analysis of Incremental Waves in Uniaxially Prestressed Plastic and Viscoplastic Bars, Plates, and Unbounded Media
• Multiscale enrichment based on partition of unity
• Numerical simulation of crack growth in an isotropic solid with randomized internal cohesive bonds
• On the atomic theory of elasticity
• Reproducing kernel particle methods
• The Cauchy relations in a molecular theory of elasticity
• The elastic modulus of single-wall carbon nanotubes: a continuum analysis incorporating interatomic potentials.
• Three-dimensional bridging scale analysis of dynamic fracture

Cited in

(39)

• Lattice Green function methods for atomistic/continuum coupling: theory and data-sparse implementation
• A hybrid static-dynamic continuum approach for concurrent atomistic-to-continuum methods
• Investigating the deformation of nanocrystalline copper with microscale kinematic metrics and molecular dynamics
• Static and dynamic studies for coupling discrete and continuum media; application to a simple railway track model
• A coupled atomistic/continuum model of defects in solids.
• Analysis of a Sinclair-type domain decomposition solver for atomistic/continuum coupling
• Multiscale simulation of microcrack based on a new adaptive finite element method
• Continuum-atomistic coupling based on computational homogenization
• Coupled atomistic/continuum simulation based on extended space-time finite element method.
• Connecting Atomistic-to-Continuum Coupling and Domain Decomposition
• A surface Cauchy-Born model for silicon nanostructures
• Stress continuity in DEM-FEM multiscale coupling based on the generalized bridging domain method
• A micromorphic filter for determining stress and deformation measures from direct numerical simulations of lower length scale behavior
• Mortar coupling and upscaling of pore-scale models
• Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes
• Concurrent Coupling of Atomistic and Continuum Models
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• A finite element formulation for nanoscale resonant mass sensing using the surface Cauchy-Born model
• Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice
• Reviewing the roots of continuum formulations in molecular systems. Part II: Energy and angular momentum balance equations
• A bridging domain and strain computation method for coupled atomistic-continuum modelling of solids
• Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force
• A stochastic coupling method for atomic-to-continuum MonteCarlo simulations
• Three-dimensional ellipsoidal discrete element modeling of granular materials and its coupling with finite element facets
• A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials
• A multiscale finite element method for the dynamic analysis of surface-dominated nanomaterials
• Heat flux expressions that satisfy the conservation laws in atomistic system involving multibody potentials
• Coarse-grained atomistic simulation of dislocations
• A coupling atomistic-continuum approach for modeling mechanical behavior of nano-crystalline structures
• The construction and application of an atomistic \(\mathbf J\)-integral via Hardy estimates of continuum fields
• A dynamic atomistic--continuum method for the simulation of crystalline materials
• A damping boundary condition for coupled atomistic-continuum simulations
• A continuum-to-atomistic bridging domain method for composite lattices
• An Arlequin-based method to couple molecular dynamics and finite element simulations of amorphous polymers and nanocomposites
• A simple dynamical scale-coupling method for concurrent simulation of hybridized atomistic/coarse-grained-particle system
• Three-dimensional bridging scale analysis of dynamic fracture
• Comparison of several staggered atomistic-to-continuum concurrent coupling strategies
• Bridging scale methods for nanomechanics and materials
• A generalized quasinonlocal atomistic-to-continuum coupling method with finite-range interaction

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