Phonon transport simulation with an extended VOF scheme for nano-structured thin film

Abstract

Control of phonon transport in solid devices is important for thermoelectric energy conversion and phononic crystal technology, and much attention has been paid to sub-micrometer or nanometer scale structures for that purpose. In order to investigate how various nano-structures affect the phonon transport, we have developed a numerical simulation code based on the Boltzmann transport equation of phonon distribution function in the reciprocal space. To appropriately treat the phonon transport at interface of an arbitrary shape, we newly introduced a volume of fluid like scheme, which was originally developed for multi-phase flow simulation. As a test of the developed simulation code, we investigated two-dimensional thin silicon films with two types of hole shape and two types of hole arrangement. The results essentially agree with recent experiments.