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ISSN Online: 2377-424X

International Heat Transfer Conference 12
August, 18-23, 2002, Grenoble, France

Study of phonon heat conduction of metallic solids at the atomic scale

Get access (open in a dialog) DOI: 10.1615/IHTC12.4120
6 pages

Abstract

The interest in nanoscale heat transfer has increased with the development of nano-technology material processing. The knowledge of thermal properties of mater at the atomic scale is essential, and it also includes the determination of thermal resistance through interfaces. To achieve this aim, simulations of heat transfer through an interface by molecular dynamics are done. The methods used to calculate temperature, heat flux and thermal conductivity are reviewed. The Non Equilibrium Molecular Dynamics method proposed by Kotake and Wakuri (1994) has been adapted to decrease the computational time and simplify its implementation. It leads to the calculation of heat flux between two solid blocs at different imposed temperatures separated by an intermediate bloc in which the temperature profile can also be determined. In a first stage, a perfect crystal is studied so that there is no structural interfaces. Simulations show the influence of the temperature level and the length of the intermediate blocs. In the second stage, the orientation of the atomic structure changes in the middle of the intermediate bloc. The atomic thermal contact resistance is calculated.