Learn More
Microstructure is a feature of crystals with multiple symmetry-related energy-minimizing states. Continuum models have been developed explaining mi-crostructure as the mixture of these symmetry-related states on a fine scale to minimize energy. This article is a review of numerical methods and the numerical analysis for the computation of crystalline(More)
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)
A sharp stability analysis of atomistic-to-continuum coupling methods is essential for evaluating their capabilities for predicting the formation and motion of lattice defects. We formulate a simple one-dimensional model problem and give a detailed analysis of the stability of the force-based quasicontinuum (QCF) method. The focus of the analysis is the(More)
We give error estimates for the approximation of a laminated mi-crostructure which minimizes the energy R rvx dx for a rotationally invariant, double well energy density A. We present error estimates for the convergence of the deformation in L 2 ; the convergence of directional derivatives of the deformation in the twin planes," the weak convergence of the(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)
The quasicontinuum (QC) method is applied to materials possessing a mul-tilattice crystal structure. Cauchy-Born (CB) kinematics, which accounts for the shifts of the crystal basis, is used in continuum regions to relate atomic motions to continuum deformation gradients. To avoid failures of the CB kinematics, QC is augmented with a phonon stability(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)
MMS features research articles that focus on the fundamental modeling and computational principles underlying various multiscale methods. Multiscale modeling is highly interdisciplinary, with developments occurring independently across fields. Research papers and survey articles that augment the fundamental ways we model and predict multiscale phenomena are(More)