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Thermal conductivity prediction of nanoscale phononic crystal slabs using a hybrid lattice dynamics-continuum mechanics technique

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Author(s): Charles M. Reinke | Mehmet F. Su | Bruce L. Davis | Bongsang Kim | Mahmoud I. Hussein | Zayd C. Leseman | Roy H. Olsson-III | Ihab El-Kady

Journal: AIP Advances
ISSN 2158-3226

Volume: 1;
Issue: 4;
Start page: 041403;
Date: 2011;
Original page

ABSTRACT
Recent work has demonstrated that nanostructuring of a semiconductor material to form a phononic crystal (PnC) can significantly reduce its thermal conductivity. In this paper, we present a classical method that combines atomic-level information with the application of Bloch theory at the continuum level for the prediction of the thermal conductivity of finite-thickness PnCs with unit cells sized in the micron scale. Lattice dynamics calculations are done at the bulk material level, and the plane-wave expansion method is implemented at the macrosale PnC unit cell level. The combination of the lattice dynamics-based and continuum mechanics-based dispersion information is then used in the Callaway-Holland model to calculate the thermal transport properties of the PnC. We demonstrate that this hybrid approach provides both accurate and efficient predictions of the thermal conductivity.
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