an extended continuum mechanics formulation enhanced by direct coupling with molecular dynamics

based on the notion of micro-structure in linear elasticity presented by mindlin, a newextended continuum mechanics (ecm) formulation is derived which can be utilized to model thematerial behavior at atomic scale. an attempt has been made to present a formulation capable ofproducing the molecular dynamics (md) simulation results with less computational effort. to thisend, some new kinematical variables are defined and some constitutive relations are obtained frommd. to validate the proposed ecm formulation, it is applied to a properly defined sampleproblem and the response is compared with the md simulation result and the classical continuummechanics (ccm) solution.