Non‐equilibrium molecular dynamics simulation of the thermal conductivity of crystals film
Aircraft Engineering and Aerospace Technology
ISSN: 0002-2667
Article publication date: 1 March 2006
Abstract
Purpose
To give a new method to calculate the thermal conductivity of thin films which thickness is less than micro‐nanometer when non‐Fourier effect will appear in heat conduction and Fourier law is not applicable for calculating the thermal conductivity.
Design/methodology/approach
The Cattaneo equation based on the heat flow relaxation time approximation is used to calculate the thermal conductivity.
Findings
The results show that the thermal conductivity is not the thermophysical properties of material, but is the non‐linear function of temperature and film thickness when the dimension of film is less than micro‐nanometer.
Research limitations/implications
The application of this method is limited by little experimental data of heat flow relaxation time for materials other than Ar crystals.
Originality/value
The paper demonstrates how the thermal conductivity of Ar crystals film can be calculated by NEMD algorithm and considers the non‐Fourier effect in the simulation.
Keywords
Citation
Shao, B. and Sun, Z. (2006), "Non‐equilibrium molecular dynamics simulation of the thermal conductivity of crystals film", Aircraft Engineering and Aerospace Technology, Vol. 78 No. 2, pp. 138-141. https://doi.org/10.1108/17488840610653450
Publisher
:Emerald Group Publishing Limited
Copyright © 2006, Emerald Group Publishing Limited