Multiscale modeling

© Fraunhofer IWM

Continuum description of processes and materials requires reliable constitutive material equations to successfully predict material and component behavior. In the past, an empirical formulation of these constitutive laws was usually the only possibility. Now, however, they can be reduced to their basic mechanisms through mesoscopic, atomistic, and quantum mechanical modeling and significantly improved. Scale coupling allows for a seamless description of material systems through elementary electronic and atomistic processes, where information is passed from the nano scale to the macro scale by means of a simulation chain.