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Atomistic Green's Function Method 1-D Atomic Chain Simulation

By Zhen Huang1, Wei Zhang1, Timothy S Fisher1

1. Purdue University

Calculation of Thermal Conductance of an Atomic Chain

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Version 1.12.1 - published on 20 Oct 2009

doi:10.4231/D3M03XX04 cite this

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Abstract

This simulation tool solves simple 1D phonon transport problems by the atomistic Green's function (AGF) method. A phonon transmission function is derived from Green's functions and, using the transmission function, the thermal conductance integral in Landauer form is computed. Within the theoretical framework of the AGF, the required inputs to calculate conductance are the masses of atoms and an appropriate interatomic potential. Homogeneous and heterogeneous atomic chains can be simulated.

References

  • Purdue University, School of Mechanical Engineering, ME 595M Lecture Notes.
  • Supriyo Datta, Quantum Transport: Atom to Transistor, Cambridge University Press, 2005.
  • W. Zhang, N. Mingo, T.S. Fisher, "The Atomistic Green’s Function Method: An
    Efficient Simulation Approach for Nanoscale Phonon Transport," Numerical Heat Transfer: Part B (Fundamentals), Vol. 51, No. 3/4, pp. 333–349, 2007. PDF.
  • What is thermal quantum conductance.I want to see it.
  • K. Schwab, E. A. Henriksen, J. M. Worlock and M. L. Roukes, "Measurement of the quantum of thermal conductance," Nature, 404, pp. 974–977, 2000.PDF.

Cite this work

Researchers should cite this work as follows:

  • W. Zhang, N. Mingo, T.S. Fisher, "The Atomistic Green’s Function Method: An Efficient Simulation Approach for Nanoscale Phonon Transport," Numerical Heat Transfer: Part B (Fundamentals), Vol. 51, No. 3/4, pp. 333–349, 2007.PDF.

  • Zhen Huang; Wei Zhang; Timothy S Fisher (2009), "Atomistic Green's Function Method 1-D Atomic Chain Simulation," http://nanohub.org/resources/greentherm. (DOI: 10.4231/D3M03XX04).

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