Efficient a posteriori error control of a concurrent multiscale method with sharp interface for crystalline defects

DOI10.1007/s10915-023-02362-8zbMath1527.65132MaRDI QIDQ6084623

Hao Wang, Yangshuai Wang

Publication date: 6 November 2023

Published in: Journal of Scientific Computing (Search for Journal in Brave)

zbMATH Keywords

adaptivitya posteriori error estimateatomistic-to-continuum couplingcrystalline defects

Mathematics Subject Classification ID

Crystalline structure (74E15) Statistical mechanics of crystals (82D25) Error bounds for boundary value problems involving PDEs (65N15) Stability and convergence of numerical methods for boundary value problems involving PDEs (65N12) Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs (65N30) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Molecular physics (81V55)

Related Items (1)

A theoretical case study of the generalization of machine-learned potentials

Cites Work

• Unnamed Item
• Analysis of blended atomistic/continuum hybrid methods
• Analysis of boundary conditions for crystal defect atomistic simulations
• The effect of ghost forces for a quasicontinuum method in three dimension
• An adaptive strategy for the control of modeling error in two-dimensional atomic-to-continuum coupling simulations
• A new adaptive modeling strategy based on optimal control for atomic-to-continuum coupling simulations
• Cauchy-Born rule and the stability of crystalline solids: Static problems
• Triple-decker: Interfacing atomistic-mesoscopic-continuum flow regimes
• Energy-based atomistic-to-continuum coupling without ghost forces
• Estimation of modeling error in computational mechanics.
• Justification of the Cauchy-Born approximation of elastodynamics
• A concurrent atomistic-crystal plasticity multiscale model for crack propagation in crystalline metallic materials
• Moving window techniques to model shock wave propagation using the concurrent atomistic-continuum method
• Asymptotic expansion of the elastic far-field of a crystalline defect
• Goal-oriented adaptive mesh refinement for the quasicontinuum approximation of a Frenkel-Kontorova model
• Atomistic/Continuum Blending with Ghost Force Correction
• The role of the patch test in 2D atomistic-to-continuum coupling methods
• Ghost Force Influence of a Quasicontinuum Method in Two Dimension
• A PRIORI ERROR ESTIMATES FOR ENERGY-BASED QUASICONTINUUM APPROXIMATIONS OF A PERIODIC CHAIN
• A priori and a posteriori analysis of the quasinonlocal quasicontinuum method in 1D
• Modeling Materials
• A Posteriori Error Estimation and Adaptive Algorithm for Atomistic/Continuum Coupling in Two Dimensions
• Error Estimation and Atomistic-Continuum Adaptivity for the Quasicontinuum Approximation of a Frenkel–Kontorova Model
• An analysis of the effect of ghost force oscillation on quasicontinuum error
• Analysis of a One-Dimensional Nonlocal Quasi-Continuum Method
• Analysis of the Residual-Type and the Gradient Recovery-Type a Posteriori Error Estimators for a Consistent Atomistic-to-Continuum Coupling Method in One-Dimension
• Error estimates for some quasi-interpolation operators
• A Convergent Adaptive Algorithm for Poisson’s Equation
• Convergence of a Force-Based Hybrid Method in Three Dimensions
• Construction and Sharp Consistency Estimates for Atomistic/Continuum Coupling Methods with General Interfaces: A Two-Dimensional Model Problem
• A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods
• A Posteriori Error Estimate and Adaptive Mesh Refinement Algorithm for Atomistic/Continuum Coupling with Finite Range Interactions in Two Dimensions
• Adaptive multiscale predictive modelling
• Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice
• Atomistic-to-continuum coupling
• MultiScale Modeling of Physical Phenomena: Adaptive Control of Models
• Convergence Analysis of a Quasi‐Continuum Approximation for a Two‐Dimensional Material Without Defects
• A posteriori error control for a quasi-continuum approximation of a periodic chain
• The Arlequin method as a flexible engineering design tool
• QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models

This page was built for publication: Efficient a posteriori error control of a concurrent multiscale method with sharp interface for crystalline defects