A bridging domain method for coupling continua with molecular dynamics

DOI10.1016/J.CMA.2003.12.053zbMATH Open1079.74509OpenAlexW2118780642MaRDI QIDQ704528FDOQ704528

Authors: Shaoping Xiao, Ted Belytschko 

Publication date: 13 January 2005

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cma.2003.12.053

Recommendations

• Conservation properties of the bridging domain method for coupled molecular/continuum dynamics
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• A continuum-to-atomistic bridging domain method for composite lattices
• A bridging domain and strain computation method for coupled atomistic-continuum modelling of solids
• scientific article; zbMATH DE number 5155034

zbMATH Keywords

FractureHeat transferMolecular dynamicsMultiscale methodsSpurious wave reflection

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25)

Cites Work

• An atomistic-based finite deformation membrane for single layer crystalline films
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• A coupled finite element -- element-free Galerkin method
• Problèmes mécaniques multi-échelles: la méthode Arlequin
• Multi-time-step explicit-implicit method for non-linear structural dynamics
• Stability of explicit‐implicit mesh partitions in time integration
• Hierarchical modeling in the mechanics of materials
• Two efficient staggered algorithms for the serial and parallel solution of three-dimensional nonlinear transient aeroelastic problems
• Title not available (Why is that?)
• A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations
• Dynamic crack propagation based on loss of hyperbolicity and a new discontinuous enrichment
• Postprocessing of finite element transient response calculations by digital filters

Cited In (only showing first 100 items - show all)

• Coupling atomistic and continuum modelling of magnetism
• A Lagrangian-based continuum homogenization approach applicable to molecular dynamics simulations
• A hierarchical multiscale framework for problems with multiscale source terms
• Goal-oriented adaptive mesh refinement for the quasicontinuum approximation of a Frenkel-Kontorova model
• A partition of unity-based `FE-meshfree' QUAD4 element for geometric nonlinear analysis
• A new open-source software developed for numerical simulations using discrete modeling methods
• Prediction of nonlocal scaling parameter for armchair and zigzag single-walled carbon nanotubes based on molecular structural mechanics, nonlocal elasticity and wave propagation
• Modeling and computation of fretting wear of structures under sharp contact
• Atomistic/continuum blending with ghost force correction
• Multiscale modeling of concrete. From mesoscale to macroscale
• Application of the higher-order Cauchy-Born rule in mesh-free continuum and multiscale simulation of carbon nanotubes
• A two-scale model of granular materials
• A surface Cauchy-Born model for silicon nanostructures
• Coupled atomistic--continuum simulations using arbitrary overlapping domains
• Coarse-graining of multiscale crack propagation
• A coupled molecular dynamics and extended finite element method for dynamic crack propagation
• An adaptive strategy for the control of modeling error in two-dimensional atomic-to-continuum coupling simulations
• Computational analysis of modeling error for the coupling of particle and continuum models by the Arlequin method
• A comparison of staggered solution schemes for coupled particle-continuum systems modeled with the Arlequin method
• Generalized mathematical homogenization of atomistic media at finite temperatures in three dimensions
• Energy conservation of atomistic/continuum coupling
• Bridging domain methods for coupled atomistic-continuum models with L ² or H ¹ couplings
• Numerical validation of a constraints-based multiscale simulation method for solids
• A locally adaptive time stepping algorithm for the solution to reaction diffusion equations on branched structures
• Coupling molecular dynamics and continua with weak constraints
• Bridging cell multiscale modeling of fatigue crack growth in fcc crystals
• Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes
• Coupling of mesh-free methods with finite elements: basic concepts and test results
• An embedded statistical method for coupling molecular dynamics and finite element analyses
• Concurrently coupled atomistic and XFEM models for dislocations and cracks
• Analysis of blended atomistic/continuum hybrid methods
• Hybrid molecular-continuum methods: from prototypes to coupling software
• Analysis of boundary conditions for crystal defect atomistic simulations
• Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice
• Multiresolution molecular mechanics: dynamics
• A multiscale quasicontinuum method for lattice models with bond failure and fiber sliding
• Numerical validation of a concurrent atomistic-continuum multiscale method and its application to the buckling analysis of carbon nanotubes
• Multiresolution molecular mechanics: convergence and error structure analysis
• Atom collocation method
• Theory-based benchmarking of the blended force-based quasicontinuum method
• Spatial filters for bridging molecular dynamics with finite elements at finite temperatures
• A unified interpretation of stress in molecular systems
• On the application of the Arlequin method to the coupling of particle and continuum models
• A bridging technique to analyze the influence of boundary conditions on instability patterns
• Multiscale modeling of complex dynamic problems: an overview and recent developments
• Computational uncertainty analysis in multiresolution materials via stochastic constitutive theory
• Concurrent coupling of atomistic and continuum models at finite temperature
• Denoising methods for thermomechanical decomposition for quasi-equilibrium molecular dynamics simulations
• Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force
• 3D coupling approach between discrete and continuum models for dynamic simulations (DEM-CNEM)
• A multiscale method with patch for the solution of stochastic partial differential equations with localized uncertainties
• Multiscale aggregating discontinuities: a method for circumventing loss of material stability
• Atomistic potentials based energy flux integral criterion for dynamic adiabatic shear banding
• Finite element model of ionic nanowires with size-dependent mechanical properties determined by ab initio calculations
• On the use of XFEM within the Arlequin framework for the simulation of crack propagation
• A coarse-grained molecular dynamics model for crystalline solids
• A multiscale finite element method for the dynamic analysis of surface-dominated nanomaterials
• A multiscale modeling technique for bridging molecular dynamics with finite element method
• Heat flux expressions that satisfy the conservation laws in atomistic system involving multibody potentials
• Buckling analysis of carbon nanotubes by a mixed atomistic and continuum model
• Coarse-grained atomistic simulation of dislocations
• Multi-scale homogenization procedure for continuum-atomistic, thermo-mechanical problems
• Multiresolution molecular mechanics: a unified and consistent framework for general finite element shape functions
• Error estimation and model adaptation for a stochastic-deterministic coupling method based on the Arlequin framework
• A damping boundary condition for coupled atomistic-continuum simulations
• Ghost forces and spurious effects in atomic-to-continuum coupling methods by the Arlequin approach
• A continuum-to-atomistic bridging domain method for composite lattices
• A mathematical framework of the bridging scale method
• Towards a taxonomy for multiscale methods in computational mechanics: Building blocks of existing methods
• A quasicontinuum methodology for multiscale analyses of discrete microstructural models
• A nanoscale meshfree particle method with the implementation of the quasicontinuum method
• Three-dimensional bridging scale analysis of dynamic fracture
• Predictive multiscale theory for design of heterogeneous materials
• Conservation properties of the bridging domain method for coupled molecular/continuum dynamics
• A parallel multiscale simulation toolbox for coupling molecular dynamics and finite elements
• Multiresolution molecular mechanics: adaptive analysis
• Multiscale modeling of nano/micro systems by a multiscale continuum field theory
• Multiresolution molecular mechanics: statics
• A multiscale discrete-continuum mosaic method for nonlinear mechanical behaviors of periodic micro/nano-scale structures
• Fully scalable implementation of a volume coupling scheme for the modeling of multiscale materials
• An efficient coarse-grained parallel algorithm for global-local multiscale computations on massively parallel systems
• Static and dynamic studies for coupling discrete and continuum media; application to a simple railway track model
• Adaptive spacetime method using Riemann jump conditions for coupled atomistic-continuum dynamics
• Adaptive generalized mathematical homogenization framework for nanostructured materials
• A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method
• Extended multiscale finite element method: its basis and applications for mechanical analysis of heterogeneous materials
• Stability and size-dependency of Cauchy-Born hypothesis in three-dimensional applications
• Force-based atomistic/continuum blending for multilattices
• An Effective and Easy-to-Implement Boundary Condition for Molecular Dynamics Simulations
• Bridging scale simulation of lattice fracture using enriched space-time finite element method
• A spectral multiscale method for wave propagation analysis: atomistic-continuum coupled simulation
• Concurrent quantum/continuum coupling analysis of nanostructures
• Multiscale modeling and simulation of single-crystal mgo through an atomistic field theory
• Four-node quadrilateral element with continuous nodal stress for geometrical nonlinear analysis
• On multiscale non-equilibrium molecular dynamics simulations
• An adaptive FE-MD model coupling approach
• From molecular dynamics to Brownian dynamics
• Advancements in multiresolution analysis
• A new approach to the modeling and analysis of fracture through extension of continuum mechanics to the nanoscale
• Modelling transient heat conduction in solids at multiple length and time scales: a coupled non-equilibrium molecular dynamics/continuum approach

This page was built for publication: A bridging domain method for coupling continua with molecular dynamics

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q704528)