A posteriori error estimation and adaptive algorithm for atomistic/continuum coupling in two dimensions

DOI10.1137/17M1131106zbMATH Open1395.65125arXiv1702.02701OpenAlexW2869881803MaRDI QIDQ3174767FDOQ3174767

Lei Zhang, Mingjie Liao, Ping Lin, Hao Wang

Publication date: 18 July 2018

Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)

Abstract: Atomistic/continuum coupling methods aim to achieve optimal balance between accuracy and efficiency. Adaptivity is the key for the efficient implementation of such methods. In this paper, we carry out a rigorous a posteriori analysis of the residual, the stability constant, and the error bound, for a consistent atomistic/continuum coupling method in 2D. We design and implement the corresponding adaptive mesh refinement algorithm, and the convergence rate with respect to degrees of freedom is optimal compare with a priori error estimates.

Full work available at URL: https://arxiv.org/abs/1702.02701

Recommendations

• A posteriori error estimate and adaptive mesh refinement algorithm for atomistic/continuum coupling with finite range interactions in two dimensions
• A posteriori error control for three typical force-based atomistic-to-continuum coupling methods for an atomistic chain
• 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
• An atomistic/continuum coupling method using enriched bases
• An adaptive strategy for the control of modeling error in two-dimensional atomic-to-continuum coupling simulations

zbMATH Keywords

a posteriori error estimateatomistic modelsadaptive algorithmcoarse grainingatomistic-to-continuum coupling

Mathematics Subject Classification ID

A priori estimates in context of PDEs (35B45) Stability and convergence of numerical methods for boundary value problems involving PDEs (65N12) Error bounds for boundary value problems involving PDEs (65N15) Mesh generation, refinement, and adaptive methods for boundary value problems involving PDEs (65N50) Statistical mechanics of crystals (82D25) Statics (70C20)

Cites Work

• Title not available (Why is that?)
• Cauchy-Born rule and the stability of crystalline solids: Static problems
• Title not available (Why is that?)
• Edge Residuals Dominate A Posteriori Error Estimates for Low Order Finite Element Methods
• A Convergent Adaptive Algorithm for Poisson’s Equation
• Justification of the Cauchy-Born approximation of elastodynamics
• The role of the patch test in 2D atomistic-to-continuum coupling methods
• Consistent energy-based atomistic/continuum coupling for two-body potentials in one and two dimensions
• Modeling Materials
• Analysis of blended atomistic/continuum hybrid methods
• Analysis of boundary conditions for crystal defect atomistic simulations
• Formulation and optimization of the energy-based blended quasicontinuum method
• Error estimates for some quasi-interpolation operators
• Convergence of a Force-Based Hybrid Method in Three Dimensions
• (In-)stability and Stabilization of QNL-Type Atomistic-to-Continuum Coupling Methods
• Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice
• Atomistic-to-continuum coupling
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• Atomistic/continuum blending with ghost force correction
• Consistent energy-based atomistic/continuum coupling for two-body potentials in three dimensions
• Construction and Sharp Consistency Estimates for Atomistic/Continuum Coupling Methods with General Interfaces: A Two-Dimensional Model Problem
• On Atomistic-to-Continuum Couplings without Ghost Forces in Three Dimensions
• An Analysis of Node-Based Cluster Summation Rules in the Quasicontinuum Method
• Analysis of a One-Dimensional Nonlocal Quasi-Continuum Method
• Error Estimation and Atomistic-Continuum Adaptivity for the Quasicontinuum Approximation of a Frenkel–Kontorova Model
• Analysis of a quasicontinuum method in one dimension
• Convergence Analysis of a Quasi‐Continuum Approximation for a Two‐Dimensional Material Without Defects
• Goal-oriented adaptive mesh refinement for the quasicontinuum approximation of a Frenkel-Kontorova model
• An analysis of the effect of ghost force oscillation on quasicontinuum error
• 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
• A priori and a posteriori \(W^{1,\infty}\) error analysis of a QC method for complex lattices
• Energy-based atomistic-to-continuum coupling without ghost forces
• A posteriori error control for a quasi-continuum approximation of a periodic chain

Cited In (6)

• The role of the patch test in 2D atomistic-to-continuum coupling methods
• Adaptive QM/MM coupling for crystalline defects
• Adaptive multigrid strategy for geometry optimization of large-scale three dimensional molecular mechanics
• 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
• Efficient a posteriori error control of a concurrent multiscale method with sharp interface for crystalline defects

Uses Software

• EasyMesh

This page was built for publication: A posteriori error estimation and adaptive algorithm for atomistic/continuum coupling in two dimensions

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q3174767)