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

Atomistic simulationContinuum mechanicsCouplingFinite elements

Mathematics Subject Classification ID

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

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Cites work

• A bridging domain method for coupling continua with molecular dynamics
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• 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
• scientific article; zbMATH DE number 4033243 (Why is no real title available?)
• scientific article; zbMATH DE number 936298 (Why is no real title available?)
• 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

(40)

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

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