FDPML study of phonon scattering and localization in 2D nanoparticulates.

We have developed a frequency-domain perfectly matched layer (FDPML) method capable of studying mode-by-mode phonon transport on extraordinarily large domain sizes (tens of billions of atoms using parallel computing) with atomic resolution. In this talk, we will show progress towards understanding scattering from composites with randomly distributed embedded nanoparticles over a wide range of volume fractions. We show that the mean free paths obtained by the FDPML for composites with loading up to ~15%vol can successfully be captured by a simple model based on the scattering cross-section from an isolated particle for wavelengths in the Mie regime. We also explore trends of localized modes in embedded nanoparticulate composites using both Landauer and modal decomposition approaches.