Macro- and microsimulations for a sublimation growth of SiC single crystals.
Multiscale Materials Modelling: Case Studies at the Atomistic and Electronic Structure Levels
Although the intellectual merits of computational modelling across various length and time scales are generally well accepted, good illustrative examples are often lacking. One way to begin appreciating the benefits of the multiscale approach is to first gain experience in probing complex physical phenomena at one scale at a time. Here we discuss materials modelling at two characteristic scales separately, the atomistic level where interactions are specified through classical potentials and the...