Phonon Transmission Across Silicon Grain Boundaries by Atomistic Green's Function Method

Abstract

Nanostructured materials are of great interest for many applications because of their special properties. Understanding the effect of grain boundaries on phonon transport in polycrystals is important for engineering nanomaterials with desired thermal transport properties. The phonon transport properties of 63 grain boundaries in silicon are investigated by employing atomistic Greens function method. Results show that similar to electron transport, the perfect grain boundary does not significantly reduce the thermal conductance, while defective grain boundaries can dramatically reduce the thermal conductance. This work may be helpful for the understanding of the underlying thermal transport mechanism across grain boundaries and the design of grain boundaries for energy applications.

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Document Details

Document Type
Technical Report
Publication Date
Jan 29, 2019
Accession Number
AD1107891

Entities

People

  • Chen Li
  • Zhiting Tian

Organizations

  • Cornell University

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Computational Science
  • Crystal Lattices
  • Crystals
  • Dynamics
  • Electron Mobility
  • Electrons
  • Energy
  • Grain Boundaries
  • Heat Transfer
  • Materials
  • Molecular Dynamics
  • Nanomaterials
  • Physics
  • Polycrystals
  • Simulations
  • Thermal Conductivity
  • Transport Properties

Readers

  • Materials Science and Engineering.
  • Systems Analysis and Design

Technology Areas

  • Microelectronics