Title
Iterative Solution of the Quasicontinuum Equilibrium Equations with Continuation
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.
Year
DOI
Venue
2008
10.1007/s10915-008-9208-6
J. Sci. Comput.
Keywords
Field
DocType
results exhibit fracture,quasicontinuum equilibrium equations,energy-based quasicontinuum approximation,force-based quasicontinuum equation,quasicontinuum,continuation,iterative method,parameter value,atomistic to continuum,computed solution,iterative solution,frac- ture,approximate solution,continuation algorithm,numerical solution,parameter step size,lennard jones,iteration method,fracture
Convergence (routing),Mathematical optimization,Preconditioner,Mathematical analysis,Iterative method,Continuation,Deformation (mechanics),Approximate solution,Mathematics
Journal
Volume
Issue
ISSN
37
1
1573-7691
Citations 
PageRank 
References 
3
0.74
4
Authors
2
Name
Order
Citations
PageRank
Matthew Dobson1263.88
Mitchell Luskin212423.89