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We derive a model problem for quasicontinuum approximations that allows a simple , yet insightful, analysis of the optimal-order convergence rate in the continuum limit for both the energy-based quasicontinuum approximation and the quasi-nonlocal quasicontinuum approximation. For simplicity, the analysis is restricted to the case of second-neighbor… (More)

The accuracy of atomistic-to-continuum hybrid methods can be guaranteed only for deformations where the lattice configuration is stable for both the atomistic energy and the hybrid energy. For this reason, a sharp stability analysis of atomistic-to-continuum coupling methods is essential for evaluating their capabilities for predicting the formation of… (More)

We consider a class of nonconforming nite element approximations of a simply laminated microstructure which minimizes the nonconvex variational problem for the deformation of martensitic crystals which can undergo either an orthorhombic to monoclinic (double well) or a cubic to tetrag-onal (triple well) transformation. We rst establish a series of error… (More)

We propose and analyze a goal-oriented a posteriori error estimator for the atomistic-continuum modeling error in the quasicontinuum method. Based on this error estimator, we develop an algorithm which adaptively determines the atomistic and continuum regions to compute a quantity of interest to within a given tolerance. We apply the algorithm to the… (More)

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… (More)

We investigate two examples of node-based cluster summation rules that have been proposed for the quasicontinuum (QC) method: a force-based approach and an energy-based approach which is a generalization of the nonlocal QC method. We show that, even for the case of nearest-neighbor interaction in a one-dimensional periodic chain, both of these approaches… (More)

We consider the enhancement of accuracy, by means of a simple post-processing technique, for finite element approximations to transient hy-perbolic equations. The post-processing is a convolution with a kernel whose support has measure of order one in the case of arbitrary unstructured meshes; if the mesh is locally translation invariant, the support of the… (More)

An analysis is given for a class of nonconforming Lagrange-type finite elements which have been successfully utilized to approximate the solution of a variational problem modeling the deformation of martensitic crystals with microstructure. These elements were first proposed and analyzed in 1992 by Rannacher and Turek for the Stokes equation. Our analysis… (More)

We develop a free energy density to model a structural first-order phase transformation from a high-temperature cubic phase to a low-temperature tetragonal phase. The free energy density models the softening of the elastic modulus controlling the low-energy path from the cubic to the tetragonal lattice, the loss of stability of the tetragonal phase at high… (More)