The relentless shrinking of microelectronic devices
makes thermal management an increasingly important topic. To
this end, we have developed a computational approach, which
allows the prediction of heat flux in nanostructures based on
atomistic simulations. As prototypical system, we present results
for a silicon – silicon dioxide nanostructure, with (a) abrupt
interfaces, and (b) interfaces after thermal annealing. A graphene
sheet on amorphous SiO2 has been chosen as the second example
to investigate the influence of a substrate on the extremely high
thermal conductivity of this two-dimensional material.