University of Oxford

For atomistic (and related) material models, global minimization

gives the wrong qualitative behaviour; a theory of equilibrium

solutions needs to be defined in different terms. In this talk, a

process based on gradient flow evolutions is presented, to describe

local minimization for simple atomistic models based on the Lennard-

Jones potential. As an application, 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 both elastic deformation and fracture.