A bridging domain method for coupling continua with molecular dynamics

From MaRDI portal

Publication:704528

Jump to:navigation, search

DOI10.1016/j.cma.2003.12.053zbMath1079.74509OpenAlexW2118780642MaRDI QIDQ704528

Shaoping Xiao, Ted Beltytschko

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

zbMATH Keywords

Fracture Heat transfer Molecular dynamics Multiscale methods Spurious wave reflection

Mathematics Subject Classification ID

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

Related Items

Force-based atomistic/continuum blending for multilattices, A multiscale discrete-continuum mosaic method for nonlinear mechanical behaviors of periodic micro/nano-scale structures, A locally adaptive time stepping algorithm for the solution to reaction diffusion equations on branched structures, On the application of the Arlequin method to the coupling of particle and continuum models, A finite temperature continuum theory based on interatomic potential in crystalline solids, A scalable multiscale LATIN method adapted to nonsmooth discrete media, Large-scale simulation of graphene and structural superlubricity with improved smoothed molecular dynamics method, An investigation on the coupling of data-driven computing and model-driven computing, Concurrent multiscale analysis without meshing: microscale representation with CutFEM and micro/macro model blending, A multiscale molecular dynamics method for isothermal dynamic problems using the seamless heterogeneous multiscale method, An improved smoothed molecular dynamics method by alternating with molecular dynamics, Mechanical modeling of graphene using the three-layer-mesh bridging domain method, Analysis of blended atomistic/continuum hybrid methods, 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 new open-source software developed for numerical simulations using discrete modeling methods, Analysis of boundary conditions for crystal defect atomistic simulations, Multiscale modeling of complex dynamic problems: an overview and recent developments, Atomistic potentials based energy flux integral criterion for dynamic adiabatic shear banding, A partition-of-unity based `FE-meshfree' triangular element with radial-polynomial basis functions for static and free vibration analysis, 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, A damping boundary condition for coupled atomistic-continuum simulations, Generalized bridging domain method for coupling finite elements with discrete elements, A spectral multiscale method for wave propagation analysis: atomistic-continuum coupled simulation, Energy-based atomistic-to-continuum coupling without ghost forces, Multiresolution molecular mechanics: a unified and consistent framework for general finite element shape functions, Stress continuity in DEM-FEM multiscale coupling based on the generalized bridging domain method, A higher-order stress-based gradient-enhanced damage model based on isogeometric analysis, A posteriori error estimation and adaptivity in non-intrusive couplings between concurrent models, Multiresolution molecular mechanics: adaptive analysis, Multiscale modeling and simulation of single-crystal mgo through an atomistic field theory, A comparison of staggered solution schemes for coupled particle-continuum systems modeled with the Arlequin method, A two-scale model of granular materials, A domain-reduction approach to bridging-scale simulation of one-dimensional nanostructures, Multiscale modeling of nano/micro systems by a multiscale continuum field theory, Computational uncertainty analysis in multiresolution materials via stochastic constitutive theory, Multi-scale homogenization procedure for continuum-atomistic, thermo-mechanical problems, Finite element model of ionic nanowires with size-dependent mechanical properties determined by ab initio calculations, Concurrent coupling of atomistic and continuum models at finite temperature, Multiscale modeling of concrete. From mesoscale to macroscale, On the use of XFEM within the Arlequin framework for the simulation of crack propagation, An adaptive strategy for the control of modeling error in two-dimensional atomic-to-continuum coupling simulations, Multiresolution molecular mechanics: dynamics, 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, A multiscale quasicontinuum method for lattice models with bond failure and fiber sliding, Spatial filters for bridging molecular dynamics with finite elements at finite temperatures, 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, Denoising methods for thermomechanical decomposition for quasi-equilibrium molecular dynamics simulations, Multiresolution molecular mechanics: statics, A new adaptive modeling strategy based on optimal control for atomic-to-continuum coupling simulations, Iterative methods for the force-based quasicontinuum approximation: analysis of a 1D model problem, Prediction of nonlocal scaling parameter for armchair and zigzag single-walled carbon nanotubes based on molecular structural mechanics, nonlocal elasticity and wave propagation, Generalized mathematical homogenization of atomistic media at finite temperatures in three dimensions, Coarse-grained modeling with hierarchical deformable and rigid assemblages (HiDRA), Predictive multiscale theory for design of heterogeneous materials, Bridging the gap between local and nonlocal numerical methods -- a unified variational framework for non-ordinary state-based peridynamics, Concurrent coupling of peridynamics and classical elasticity for elastodynamic problems, A polymorphic element formulation towards multiscale modelling of composite structures, Fully scalable implementation of a volume coupling scheme for the modeling of multiscale materials, Toward predictive multiscale modeling of vascular tumor growth, computational and experimental oncology for tumor prediction, Static and dynamic studies for coupling discrete and continuum media; application to a simple railway track model, Atom collocation method, A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks, A bridging technique to analyze the influence of boundary conditions on instability patterns, Stability and size-dependency of Cauchy-Born hypothesis in three-dimensional applications, Coupled atomistic--continuum simulations using arbitrary overlapping domains, Adaptive spacetime method using Riemann jump conditions for coupled atomistic-continuum dynamics, On the stability of boundary conditions for molecular dynamics, A residual-based stabilized finite element formulation for incompressible flow problems in the Arlequin framework, Three-dimensional bridging scale analysis of dynamic fracture, An adaptive FE-MD model coupling approach, Extended multiscale finite element method: its basis and applications for mechanical analysis of heterogeneous materials, A coupling atomistic-continuum approach for modeling mechanical behavior of nano-crystalline structures, Phonon absorbing boundary conditions for molecular dynamics, Modelling transient heat conduction in solids at multiple length and time scales: a coupled non-equilibrium molecular dynamics/continuum approach, A three-layer-mesh bridging domain for coupled atomistic-continuum simulations at finite temperature: formulation and testing, Theory-based benchmarking of the blended force-based quasicontinuum method, Multiscale coupling schemes spanning the quantum mechanical, atomistic forcefield, and continuum regimes, A surface Cauchy-Born model for silicon nanostructures, Concurrent quantum/continuum coupling analysis of 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, Computational analysis of modeling error for the coupling of particle and continuum models by the Arlequin method, Algorithms for bridging scale method parameters, Towards a taxonomy for multiscale methods in computational mechanics: Building blocks of existing methods, A bridging transition technique for the combination of meshfree method with finite element method in 2D solids and structures, Discrete Lagrange equations for reacting thermofluid dynamics in arbitrary Lagrangian-Eulerian frames, An energetically consistent concurrent multiscale method for heterogeneous heat transfer and phase transition applications, Enabling fast, stable and accurate peridynamic computations using multi-time-step integration, An atomistic-to-continuum molecular dynamics: theory, algorithm, and applications, Concurrently coupled solid shell-based adaptive multiscale method for fracture, A plate model for multilayer graphene sheets and its finite element implementation via corotational formulation, Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force, Moving window techniques to model shock wave propagation using the concurrent atomistic-continuum method, DEM-BEM coupling in time domain for one-dimensional wave propagation, Wave filtering through a selective perfectly matched layer in multiscale couplings with dynamically incompatible models, A New Approach to the Modeling and Analysis of Fracture through Extension of Continuum Mechanics to the Nanoscale, Efficient Flexible Boundary Conditions for Long Dislocations, A coarse‐grained molecular dynamics model for crystalline solids, On multiscale non‐equilibrium molecular dynamics simulations, Ghost forces and spurious effects in atomic‐to‐continuum coupling methods by the Arlequin approach, Adaptive generalized mathematical homogenization framework for nanostructured materials, A multiscale finite element method for the dynamic analysis of surface‐dominated nanomaterials, A quasicontinuum methodology for multiscale analyses of discrete microstructural models, Replica time integrators, Linear Stationary Iterative Methods for the Force-Based Quasicontinuum Approximation, Development of an Unresolved CFD-DEM Method for Interaction Simulations Between Large Particles and Fluids, A continuum‐to‐atomistic bridging domain method for composite lattices, Multiscale modeling of fracture in Barium Titanate: fracture toughness estimation and modified G-Criterion, Four-Node Quadrilateral Element with Continuous Nodal Stress for Geometrical Nonlinear Analysis, Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice, A Parallel Multiscale Simulation Toolbox for Coupling Molecular Dynamics and Finite Elements, A multiscale component mode synthesis approach for dynamic analysis of nanostructures, Multiscale coupling using a finite element framework at finite temperature, Adaptive atomistic-to-continuum modeling of propagating defects, Concurrent multiscale modeling of amorphous materials in 3D, A three-dimensional atomistic-based process zone model simulation of fragmentation in polycrystalline solids, Incompressibility in the multimodel Arlequin framework, Error estimation and model adaptation for a stochastic-deterministic coupling method based on the Arlequin framework, Selective damping method for the weak-Arlequin coupling of molecular dynamics and finite element method, Multi-scale modeling of surface effects in nano-materials with temperature-related Cauchy-Born hypothesis via the modified boundary Cauchy-Born model, A concurrent atomistic and continuum coupling method with applications to thermo-mechanical problems, Bridging scale simulation of lattice fracture using enriched space-time Finite Element Method, Coarse-graining molecular dynamics models using an extended Galerkin projection method, 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, A least-squares coupling method between a finite element code and a discrete element code, A multiscale coupling approach between discrete element method and finite difference method for dynamic analysis, Coarse-grained modeling and simulation of graphene sheets based on a discrete hyperelastic approach, Advancements in multiresolution analysis, Bridging cell multiscale modeling of fatigue crack growth in fcc crystals, Finite element method–discrete element method bridging coupling for the modeling of gouge, Interfacing finite elements with deep neural operators for fast multiscale modeling of mechanics problems, Coupling of an atomistic model and bond-based peridynamic model using an extended Arlequin framework, A finite addition of matter elements method for modeling and solution of an SLM thermal problem by a multiscale method, A novel BEM-DEM coupling in the time domain for simulating dynamic problems in continuous and discontinuous media, Efficient multi-scale staggered coupling of discrete and boundary element methods for dynamic problems, Damage preserving transformation for materials with microstructure, A machine-learning aided multiscale homogenization model for crystal plasticity: application for face-centered cubic single crystals, Investigating shock wave propagation, evolution, and anisotropy using a moving window concurrent atomistic-continuum framework, Concurrently coupled atomistic and XFEM models for dislocations and cracks, An embedded statistical method for coupling molecular dynamics and finite element analyses, Energy conservation of atomistic/continuum coupling, A coupled molecular dynamics and extended finite element method for dynamic crack propagation, Coarse-graining of multiscale crack propagation, Numerical validation of a constraints-based multiscale simulation method for solids, An adaptive concurrent multiscale method for the dynamic simulation of dislocations, Three‐dimensional ellipsoidal discrete element modeling of granular materials and its coupling with finite element facets, An efficient coarse-grained parallel algorithm for global-local multiscale computations on massively parallel systems, A partition of unity-based ‘FE-Meshfree’ QUAD4 element for geometric non-linear analysis, Modeling of reinforced concrete through SPH-FE coupling and its application to the simulation of a projectile's impact onto a slab, Modeling and computation of fretting wear of structures under sharp contact, Multi-scale modeling of surface effect via the boundary Cauchy-Born method, An Effective and Easy-to-Implement Boundary Condition for Molecular Dynamics Simulations, A Dynamical Concurrent Multiscale Method Employing a Transmitting Boundary to Minimize Wave Reﬂections at the Domain Interface, Blended Ghost Force Correction Method for 3D Crystalline Defects, A NANOSCALE MESHFREE PARTICLE METHOD WITH THE IMPLEMENTATION OF THE QUASICONTINUUM METHOD, A Parallel Approach to the Variational Transfer of Discrete Fields between Arbitrarily Distributed Unstructured Finite Element Meshes, Multiscale aggregating discontinuities: A method for circumventing loss of material stability, Conservation properties of the bridging domain method for coupled molecular/continuum dynamics, Stability of Energy Transfer in the Weak Coupling Method, Atomistic/Continuum Blending with Ghost Force Correction, Analysis of an optimization-based atomistic-to-continuum coupling method for point defects, A unified interpretation of stress in molecular systems, Bridging Methods for Coupling Atomistic and Continuum Models, Application of the higher-order Cauchy-Born rule in mesh-free continuum and multiscale simulation of carbon nanotubes, Bridging domain methods for coupled atomistic-continuum models with L ² or H ¹ couplings, Modelling Transient Heat Conduction at Multiple Length and Time Scales: A Coupled Non-Equilibrium Molecular Dynamics/Continuum Approach, Multiscale coupling in function space-weak coupling between molecular dynamics and continuum mechanics, A Mesh-Free Approach for Multiscale Modeling in Continuum–Granular Systems, Coupling of mesh-free methods with finite elements: basic concepts and test results

Cites Work

Retrieved from "https://portal.mardi4nfdi.de/w/index.php?title=Publication:704528&oldid=12612912"