Improving
heat transfer in hybrid nano/microelectronic systems is a challenge,
mainly due to the high thermal boundary resistance (TBR) across the
interface. Herein, we focus on gallium nitride (GaN)/diamond interfaceas
a model system with various high power, high temperature, and optoelectronic
applicationsand perform extensive reverse nonequilibrium molecular
dynamics simulations, decoding the interplay between the pillar length,
size, shape, hierarchy, density, arrangement, system size, and the
interfacial heat transfer mechanisms to substantially reduce TBR in
GaN-on-diamond devices. We found that changing the conventional planar
interface to nanoengineered, interlaced architecture with optimal
geometry results in >80% reduction in TBR. Moreover, introduction
of conformal graphene buffer layer further reduces the TBR by ∼33%.
Our findings demonstrate that the enhanced generation of intermediate
frequency phonons activates the dominant group velocities, resulting
in reduced TBR. This work has important implications on experimental
studies, opening up a new space for engineering hybrid nano/microelectronics