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GiftBTE: an efficient deterministic solver for non-gray phonon Boltzmann transport equation.

Yue Hu1,2, Ru Jia1,2, Jiaxuan Xu1,2

  • 1Global Institute of Future Technology, Shanghai Jiao Tong University, Shanghai 200240, People's Republic of China.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|September 27, 2023
PubMed
Summary

This study introduces GiftBTE, an open-source package for solving the phonon Boltzmann transport equation (BTE) at the nanoscale. GiftBTE enables efficient, parameter-free computation of submicron thermal transport in materials and devices.

Keywords:
discrete ordinates methodopen-source packagephonon Boltzmann transport equationsubmicron thermal transport

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Area of Science:

  • Nanotechnology
  • Materials Science
  • Computational Physics

Background:

  • Submicron thermal transport deviates from Fourier's law.
  • The phonon Boltzmann transport equation (BTE) governs heat transfer at this scale.
  • Limited open-source BTE solvers hinder research.

Purpose of the Study:

  • Introduce GiftBTE, an open-source numerical solver for the non-gray phonon BTE.
  • Provide efficient steady-state and transient simulation capabilities.
  • Enable parameter-free computation of nanoscale thermal transport.

Main Methods:

  • GiftBTE utilizes deterministic solutions for the phonon BTE.
  • Steady-state solver: Implicit discrete ordinates method (DOM) with second-order spatial accuracy.
  • Transient solver: Explicit DOM with second-order spatial accuracy.

Main Results:

  • GiftBTE demonstrates high computational efficiency for 3D simulations.
  • Interfacing with first-principles calculations allows for parameter-free simulations.
  • The package is applicable to various nanoscale thermal transport problems.

Conclusions:

  • GiftBTE significantly advances the numerical simulation of submicron thermal transport.
  • The open-source nature of GiftBTE facilitates broader research and development.
  • Applications include thermal conductivity, transistor temperature rise, and laser heating simulations.