Molecular dynamics simulation on the out‐of plane thermal conductivity of single‐crystal silicon thin films

Abstract

Purpose

Combining the characteristic of satellite “minisize nucleus” non‐equilibrium molecular dynamics (NEMD) method is used. We select corresponding Tersoff potential energy function to build model and, respectively, simulate thermal conductivities of silicon nanometer thin film.

Design/methodology/approach

NEMD method is used, and the corresponding Tersoff potential energy function is used to build model.

Findings

The thermal conductivities of silicon nanometer thin film are markedly below the corresponding thermal conductivities of their crystals under identical temperature. The thermal conductivities are rising with the increase of thickness of thin film; what's more, the conductivities have a linear approximation with thickness of the thin film.

Research limitations/implications

It is difficult to do physics experiment.

Practical implications

The findings have some theory guidance to analyze satellite thermal control.

Originality/value

The calculation results of thermal conductivities specify distinct size effect. The normal direction thick film thermal conductivity of silicon crystal declines with the increasing temperature. The thermal conductivities are rising with the increase of thickness of thin film; what's more, the conductivities have a linear approximation with thickness of the thin film.

Citation

Wu, G., Sun, Z., Kong, X. and Zhao, D. (2005), "Molecular dynamics simulation on the out‐of plane thermal conductivity of single‐crystal silicon thin films", Aircraft Engineering and Aerospace Technology, Vol. 77 No. 6, pp. 475-477. https://doi.org/10.1108/00022660510628462