Modeling and Characterization of Phonon Transmission and Generation across Engineered and Strained Interfaces for Developing Structure-Property Relations of Functional Nanostructures

Abstract

The Air Force is increasingly relying on the benefits of novel multifunctional materials. These materials are being pushed to their thermal limits in progressively more demanding roles. Therefore, there is a strong need to develop modeling and characterization tools for better understanding of thermal transport in nanostructured functional materials. The objective of this project is to develop an integrated modeling and characterization tool to study phonon transmission and generation across engineered and strained interfaces. Such a tool will be critical in understanding the fundamentals of energy transport and in developing structure-property relations of functional nanostructures that could enable novel design of multi-functional nanostructures with superior thermal properties, such as super-thermal insulators, high efficiency thermoelectric materials, and super-thermal conductors. The accomplishment of this project include: 1). developed an atomic Green's function based-method for phonon transmission calculations, 2). developed a novel approach to measure phonon mean free path, and 3). studied the thermal transport in a few emerging materials such as hybrid organic-inorganic materials and two-dimensional materials such as transition metal dichalcogenides.

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Document Details

Document Type
Technical Report
Publication Date
May 21, 2015
Accession Number
ADA619944

Entities

People

  • Ronggui Yang

Organizations

  • University of Colorado Boulder

Tags

Communities of Interest

  • Advanced Electronics

DTIC Thesaurus Topics

  • Air Force
  • Boltzmann Equation
  • Density Functional Theory
  • Engineered Materials
  • Heat Transfer
  • Materials Laboratories
  • Materials Science
  • Mean Free Path
  • Molecular Dynamics
  • Nanostructures
  • Subatomic Particles
  • Thermal Conductivity
  • Thermal Properties
  • Transition Metals
  • Two Dimensional
  • Two-Dimensional Materials
  • United States

Readers

  • Nanocomposite Materials Science
  • Quantum Dot Semiconductor Device Photonics and Graphene Optoelectronic Materials and THz Physics.

Technology Areas

  • Microelectronics
  • Microelectronics - Graphene