Analysis of blended atomistic/continuum hybrid methods
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Publication:315710
DOI10.1007/S00211-015-0772-ZzbMATH Open1354.82014arXiv1404.4878OpenAlexW1564272409MaRDI QIDQ315710FDOQ315710
Authors: Xingjie Helen Li, C. Ortner, Alexander V. Shapeev, B. Van Koten 
Publication date: 22 September 2016
Published in: Numerische Mathematik (Search for Journal in Brave)
Abstract: We present a comprehensive error analysis of two prototypical atomistic-to-continuum coupling methods of blending type: the energy-based and the force-based quasicontinuum methods. Our results are valid in two and three dimensions, for finite range many-body interactions (e.g., EAM type), and in the presence of lattice defects (we consider point defects and dislocations). The two key ingredients in the analysis are (i) new force and energy consistency error estimates; and (ii) a new technique for proving energy norm stability of a/c couplings that requires only the assumption that the exact atomistic solution is a stable equilibrium.
Full work available at URL: https://arxiv.org/abs/1404.4878
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Molecular, statistical, and kinetic theories in solid mechanics (74A25) Finite element methods applied to problems in solid mechanics (74S05) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21)
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