Iterative methods for the force-based quasicontinuum approximation: analysis of a 1D model problem
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Publication:660253
Abstract: Force-based atomistic-continuum hybrid methods are the only known pointwise consistent methods for coupling a general atomistic model to a finite element continuum model. For this reason, and due to their algorithmic simplicity, force-based coupling methods have become a popular class of atomistic-continuum hybrid models as well as other types of multiphysics models. However, the recently discovered unusual stability properties of the linearized force-based quasicontinuum (QCF) approximation, especially its indefiniteness, present a challenge to the development of efficient and reliable iterative methods. We present analytic and computational results for the generalized minimal residual (GMRES) solution of the linearized QCF equilibrium equations. We show that the GMRES method accurately reproduces the stability of the force-based approximation and conclude that an appropriately preconditioned GMRES method results in a reliable and efficient solution method.
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Cites work
- scientific article; zbMATH DE number 1012640 (Why is no real title available?)
- A bridging domain method for coupling continua with molecular dynamics
- A quadrature-rule type approximation to the quasi-continuum method
- Accuracy of quasicontinuum approximations near instabilities
- An Introduction to Numerical Analysis
- An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
- An analysis of the effect of ghost force oscillation on quasicontinuum error
- An analysis of the quasicontinuum method
- An optimal order error analysis of the one-dimensional quasicontinuum approximation
- Analysis of a One-Dimensional Nonlocal Quasi-Continuum Method
- Analysis of a force-based quasicontinuum approximation
- Analysis of a prototypical multiscale method coupling atomistic and continuum mechanics
- Analysis of a quasicontinuum method in one dimension
- Convergence Analysis of a Quasi‐Continuum Approximation for a Two‐Dimensional Material Without Defects
- Iterative methods for the force-based quasicontinuum approximation: analysis of a 1D model problem
- Iterative solution of the quasicontinuum equilibrium equations with continuation
- Numerical Optimization
- On Atomistic-to-Continuum Coupling by Blending
- On the application of the Arlequin method to the coupling of particle and continuum models
- Parallel iterative methods for sparse linear systems
- Quasi-continuum orbital-free density-functional theory: a route to multi-million atom non-periodic DFT calculation
- Recent computational developments in Krylov subspace methods for linear systems
- Stability, instability, and error of the force-based quasicontinuum approximation
Cited in
(14)- Accuracy of quasicontinuum approximations near instabilities
- QTT-finite-element approximation for multiscale problems. I: Model problems in one dimension
- Linear stationary iterative methods for the force-based quasicontinuum approximation
- Lattice Green function methods for atomistic/continuum coupling: theory and data-sparse implementation
- Positive definiteness of the blended force-based quasicontinuum method
- The spectrum of the force-based quasicontinuum operator for a homogeneous periodic chain
- A computational and theoretical investigation of the accuracy of quasicontinuum methods
- Analysis of a force-based quasicontinuum approximation
- Theory-based benchmarking of the blended force-based quasicontinuum method
- A priori error analysis of two force-based atomistic/continuum models of a periodic chain
- Analysis of a quasicontinuum method in one dimension
- Iterative methods for the force-based quasicontinuum approximation: analysis of a 1D model problem
- Analysis of a Sinclair-type domain decomposition solver for atomistic/continuum coupling
- Sharp stability estimates for the force-based quasicontinuum approximation of homogeneous tensile deformation
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