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PROGRAM | Mechanical Engineering

UNDERSTANDING PHONON SCATTERING AND VIBRATIONAL LOCALIZATION IN NANOPARTICLE IN ALLOY COMPOSITES

By: Ongira Chowdhury Chair: Joseph Feser

ABSTRACT

Abstract:

Embedding nanostructures in semiconductors is known to enhance phonon scattering  and reduce thermal conductivity.  While there are well developed processes to model these effects at low volume fractions in the independent scattering approximation, knowledge of how to most efficiently engineer these interactions in dense random nanostructures is lacking.  For example, random interference patterns in highly disordered materials may lead to Anderson localized vibrational modes, which offer the promise of zero heat transfer.  This dissertation explores scattering and localization phenomena in dense nanostructures through application and extension of the Frequency Domain Perfectly Matched Layer (FDPML) computational approach as well as modal analysis.

By implementing the Landauer approach via FDPML, phonon transport is investigated in dense randomly embedded nanoparticle systems. Analysis reveals that in the Mie scattering regime, the independent scattering approximation remains valid at high volume fractions up to 30%.  Localization lengths are also examined both by the Landauer approach and modal analysis.  Confinement is identified as primarily due to energetic confinement rather than previously hypothesized Anderson localization.  This suggests that purposeful engineering of energetic confinement is a means to reduced thermal transport.

A multimode extension to FDPML method is developed, with the aim to enhance efficiency when computing transport properties. For the first time, we identify the mathematical connection between the transmission function, commonly reported for atomistic Green’s function approaches, and transmission coefficient from multimode FDPML, allowing the techniques to be compared.  The technique is applied to study localization in dense nanoparticle composites.

 

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