Thermal conductivity and Kapitza resistance of diameter modulated SiC nanowires, a molecular dynamics study

K. Termentzidis; T. Barreteau; Y. Ni; H. Huedro; A. L. Delaye; X. Zianni; Y. Chalopin; P. Chantrenne; S. Volz

doi:10.1088/1742-6596/395/1/012107

Thermal conductivity and Kapitza resistance of diameter modulated SiC nanowires, a molecular dynamics study

K. Termentzidis, T. Barreteau, Y. Ni, H. Huedro, A. L. Delaye, X. Zianni, Y. Chalopin, P. Chantrenne, S. Volz

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Abstract

The thermal conductivity of diameter modulated SiC nanowires is computed with the non-equilibrium Molecular Dynamics (NEMD) method. The two main polytypes 3C (zinc-blend) and 2H (wurtzite) of SiC nanowires are investigated, but also the superlattice SiC nanowires with shape modulation. For the case of the shape modulated nanowires the Kapitza resistance is calculated with both NEMD and Equilibrium MD (EMD) methods. This thermal resistance is related with the restrictions between two different cross sections. Finally, we proceed to the physical explanation of this phenomenon with the help of the partial densities of states of phonons.

Original language	English (US)
Article number	012107
Journal	Journal of Physics: Conference Series
Volume	395
Issue number	1
DOIs	https://doi.org/10.1088/1742-6596/395/1/012107
State	Published - 2012
Externally published	Yes
Event	6th European Thermal Sciences Conference, Eurotherm 2012 - Poitiers, France Duration: Sep 4 2012 → Sep 7 2012

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title = "Thermal conductivity and Kapitza resistance of diameter modulated SiC nanowires, a molecular dynamics study",

abstract = "The thermal conductivity of diameter modulated SiC nanowires is computed with the non-equilibrium Molecular Dynamics (NEMD) method. The two main polytypes 3C (zinc-blend) and 2H (wurtzite) of SiC nanowires are investigated, but also the superlattice SiC nanowires with shape modulation. For the case of the shape modulated nanowires the Kapitza resistance is calculated with both NEMD and Equilibrium MD (EMD) methods. This thermal resistance is related with the restrictions between two different cross sections. Finally, we proceed to the physical explanation of this phenomenon with the help of the partial densities of states of phonons.",

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AU - Termentzidis, K.

AU - Barreteau, T.

AU - Ni, Y.

AU - Huedro, H.

AU - Delaye, A. L.

AU - Zianni, X.

AU - Chalopin, Y.

AU - Chantrenne, P.

AU - Volz, S.

PY - 2012

Y1 - 2012

N2 - The thermal conductivity of diameter modulated SiC nanowires is computed with the non-equilibrium Molecular Dynamics (NEMD) method. The two main polytypes 3C (zinc-blend) and 2H (wurtzite) of SiC nanowires are investigated, but also the superlattice SiC nanowires with shape modulation. For the case of the shape modulated nanowires the Kapitza resistance is calculated with both NEMD and Equilibrium MD (EMD) methods. This thermal resistance is related with the restrictions between two different cross sections. Finally, we proceed to the physical explanation of this phenomenon with the help of the partial densities of states of phonons.

AB - The thermal conductivity of diameter modulated SiC nanowires is computed with the non-equilibrium Molecular Dynamics (NEMD) method. The two main polytypes 3C (zinc-blend) and 2H (wurtzite) of SiC nanowires are investigated, but also the superlattice SiC nanowires with shape modulation. For the case of the shape modulated nanowires the Kapitza resistance is calculated with both NEMD and Equilibrium MD (EMD) methods. This thermal resistance is related with the restrictions between two different cross sections. Finally, we proceed to the physical explanation of this phenomenon with the help of the partial densities of states of phonons.

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DO - 10.1088/1742-6596/395/1/012107

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JO - Journal of Physics: Conference Series

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T2 - 6th European Thermal Sciences Conference, Eurotherm 2012

Y2 - 4 September 2012 through 7 September 2012

ER -

Thermal conductivity and Kapitza resistance of diameter modulated SiC nanowires, a molecular dynamics study

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