Coupling the atomistic and continuum simulation

A hybrid multiscale method coupled atomistic and continuum model is present. In the continuumr region, an atomic-scale finite element method (AFEM) is proposed and exhibits a perfect coupling with molecular dynamics (MD) method used for the atomistic region. In the framework of hybrid method, utilizing the concept of filter, we also design a new interfacial condition which damps out the spurious reflection of high-frequency phonons at the atomistic/continuum interface without much influence on the low-frequency ones. A series of simulation results show the advantage of our schemes.