An optimal order error analysis of the one-dimensional quasicontinuum approximation

DOI10.1137/08073723XMaRDI QIDQ3584609zbMATH OpenOpenAlexFDO

Authors M. Dobson, Mitchell Luskin

Publication date 30 August 2010

Published in SIAM Journal on Numerical Analysis (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/0901.4745

zbMATH Keywords

error analysisatomistic-to-continuumquasicontinuum

Mathematics Subject Classification ID

Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Statistical mechanics of solids (82D20) Statistical mechanics of crystals (82D25) Statics (70C20)

Abstract: We derive a model problem for quasicontinuum approximations that allows a simple, yet insightful, analysis of the optimal-order convergence rate in the continuum limit for both the energy-based quasicontinuum approximation and the quasi-nonlocal quasicontinuum approximation. The optimal-order error estimates for the quasi-nonlocal quasicontinuum approximation are given for all strains up to the continuum limit strain for fracture. The analysis is based on an explicit treatment of the coupling error at the atomistic to continuum interface, combined with an analysis of the error due to atomistic and continuum schemes using the stability of the quasicontinuum approximation.

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