Iterative solution of the quasicontinuum equilibrium equations with continuation
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Publication:618400
DOI10.1007/S10915-008-9208-6zbMATH Open1203.65085arXiv0812.4843OpenAlexW2107837269MaRDI QIDQ618400FDOQ618400
Authors: M. Dobson, Mitchell Luskin 
Publication date: 16 January 2011
Published in: Journal of Scientific Computing (Search for Journal in Brave)
Abstract: We give an analysis of a continuation algorithm for the numerical solution of the force-based quasicontinuum equations. The approximate solution of the force-based quasicontinuum equations is computed by an iterative method using an energy-based quasicontinuum approximation as the preconditioner. The analysis presented in this paper is used to determine an efficient strategy for the parameter step size and number of iterations at each parameter value to achieve a solution to a required tolerance. We present computational results for the deformation of a Lennard-Jones chain under tension to demonstrate the necessity of carefully applying continuation to ensure that the computed solution remains in the domain of convergence of the iterative method as the parameter is increased. These results exhibit fracture before the actual load limit if the parameter step size is too large.
Full work available at URL: https://arxiv.org/abs/0812.4843
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Cited In (8)
- Iterative methods for the force-based quasicontinuum approximation: analysis of a 1D model problem
- Generalized bridging domain method for coupling finite elements with discrete elements
- Stability, instability, and error of the force-based quasicontinuum approximation
- Analysis of a force-based quasicontinuum approximation
- Finite element analysis of Cauchy-Born approximations to atomistic models
- Linear stationary iterative methods for the force-based quasicontinuum approximation
- Quadrature-rule type approximations to the quasicontinuum method for long-range interatomic interactions
- A computational and theoretical investigation of the accuracy of quasicontinuum methods
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