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

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• 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

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

• 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
• 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
• 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
• On multiscale non-equilibrium molecular dynamics simulations
• An adaptive FE-MD model coupling approach
• 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
• A multiscale component mode synthesis approach for dynamic analysis of nanostructures
• Multiscale coupling in function space-weak coupling between molecular dynamics and continuum mechanics
• On the stability of boundary conditions for molecular dynamics
• A coupled FEM/DEM approach for hierarchical multiscale modelling of granular media
• A coupled mechanical-charge/dipole molecular dynamics finite element method, with multi-scale applications to the design of graphene nano-devices
• Bridging scale simulation of lattice fracture using enriched space-time Finite Element Method
• Analysis of an optimization-based atomistic-to-continuum coupling method for point defects
• A finite element formulation for nanoscale resonant mass sensing using the surface Cauchy-Born model
• Algorithms for bridging scale method parameters
• Iterative methods for the force-based quasicontinuum approximation: analysis of a 1D model problem
• Concurrent multiscale modeling of amorphous materials in 3D
• A domain-reduction approach to bridging-scale simulation of one-dimensional nanostructures
• An atomistic-to-continuum molecular dynamics: theory, algorithm, and applications
• A three-layer-mesh bridging domain for coupled atomistic-continuum simulations at finite temperature: formulation and testing
• A finite temperature continuum theory based on interatomic potential in crystalline solids
• A partition-of-unity based `FE-meshfree' triangular element with radial-polynomial basis functions for static and free vibration analysis
• A bridging transition technique for the combination of meshfree method with finite element method in 2D solids and structures
• Multiscale coupling using a finite element framework at finite temperature
• An improved smoothed molecular dynamics method by alternating with molecular dynamics
• Generalized bridging domain method for coupling finite elements with discrete elements
• Energy-based atomistic-to-continuum coupling without ghost forces
• Modelling transient heat conduction at multiple length and time scales: a coupled non-equilibrium molecular dynamics/continuum approach
• A Parallel Approach to the Variational Transfer of Discrete Fields between Arbitrarily Distributed Unstructured Finite Element Meshes
• Enabling fast, stable and accurate peridynamic computations using multi-time-step integration
• Bridging Methods for Coupling Atomistic and Continuum Models
• A three-dimensional atomistic-based process zone model simulation of fragmentation in polycrystalline solids
• A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials
• A coupling atomistic-continuum approach for modeling mechanical behavior of nano-crystalline structures
• A scalable multiscale LATIN method adapted to nonsmooth discrete media
• Four-Node Quadrilateral Element with Continuous Nodal Stress for Geometrical Nonlinear Analysis
• An energetically consistent concurrent multiscale method for heterogeneous heat transfer and phase transition applications
• Coarse-graining molecular dynamics models using an extended Galerkin projection method
• A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks
• Coarse-grained modeling and simulation of graphene sheets based on a discrete hyperelastic approach
• A new adaptive modeling strategy based on optimal control for atomic-to-continuum coupling simulations
• Phonon absorbing boundary conditions for molecular dynamics
• A concurrent atomistic and continuum coupling method with applications to thermo-mechanical problems
• Investigating shock wave propagation, evolution, and anisotropy using a moving window concurrent atomistic-continuum framework
• Adaptive atomistic-to-continuum modeling of propagating defects
• Toward predictive multiscale modeling of vascular tumor growth, computational and experimental oncology for tumor prediction
• An adaptive concurrent multiscale method for the dynamic simulation of dislocations
• 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
• Extended multiscale finite element method: its basis and applications for mechanical analysis of heterogeneous materials
• 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
• A Parallel Multiscale Simulation Toolbox for Coupling Molecular Dynamics and Finite Elements
• 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
• Mechanical modeling of graphene using the three-layer-mesh bridging domain method
• 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
• 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

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