Positive definiteness of the blended force-based quasicontinuum method

DOI10.1137/110859270MaRDI QIDQ4903664zbMATH OpenOpenAlexFDO

Authors Xingjie Helen Li, C. Ortner, Mitchell Luskin

Publication date 24 January 2013

Published in Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1112.2528

zbMATH Keywords

atomistic-to-continuumblendingquasicontinuumstability

Mathematics Subject Classification ID

Applications to the sciences (65Z05) Statics (70C20) Molecular, statistical, and kinetic theories in solid mechanics (74A25) Statistical mechanics of solids (82D20)

Abstract: The development of consistent and stable quasicontinuum models for multi-dimensional crystalline solids remains a challenge. For example, proving stability of the force-based quasicontinuum (QCF) model remains an open problem. In 1D and 2D, we show that by blending atomistic and Cauchy--Born continuum forces (instead of a sharp transition as in the QCF method) one obtains positive-definite blended force-based quasicontinuum (B-QCF) models. We establish sharp conditions on the required blending width.

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Cited in

(11)

• Force-based atomistic/continuum blending for multilattices
• Energy-based atomistic-to-continuum coupling without ghost forces
• Discrete-to-continuum limits of long-range electrical interactions in nanostructures
• Analysis of an optimization-based atomistic-to-continuum coupling method for point defects
• Analysis of energy-based blended quasi-continuum approximations
• Analysis of blended atomistic/continuum hybrid methods
• Development of an optimization-based atomistic-to-continuum coupling method
• (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
• A one-dimensional symmetric-force-based blending method for atomistic-to-continuum coupling
• Theory-based benchmarking of the blended force-based quasicontinuum method

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