Gradient flows as a selection procedure for equilibria of nonconvex energies

For atomistic material models, global minimization gives the wrong qualitative behavior; a theory of equilibrium solutions needs to be defined in different terms. In this paper, a concept based on gradient flow evolutions, to describe local minimization for simple atomistic models based on the Lenna...

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Bibliographic Details
Main Author: Ortner, C
Format: Journal article
Language:English
Published: 2006
Description
Summary:For atomistic material models, global minimization gives the wrong qualitative behavior; a theory of equilibrium solutions needs to be defined in different terms. In this paper, a concept based on gradient flow evolutions, to describe local minimization for simple atomistic models based on the Lennard-Jones potential, is presented. As an application of this technique, it is shown that an atomistic gradient flow evolution converges to a gradient flow of a continuum energy as the spacing between the atoms tends to zero. In addition, the convergence of the resulting equilibria is investigated in the case of elastic deformation and a simple damaged state. © 2006 Society for Industrial and Applied Mathematics.