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J Chem Phys. 2011 Sep 14;135(10):104508. doi: 10.1063/1.3637044.

Phonon coherent resonance and its effect on thermal transport in core-shell nanowires.

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Department of Physics and Centre for Computational Science and Engineering, National University of Singapore, Singapore 117542, Singapore.


We study heat current autocorrelation function and thermal conductivity in core-shell nanowires by using molecular dynamics simulations. Interestingly, a remarkable oscillation effect in heat current autocorrelation function is observed in core-shell NWs, while the same effect is absent in pure silicon nanowires, nanotube structures, and random doped nanowires. Detailed characterizations of the oscillation signal reveal that this intriguing oscillation is caused by the coherent resonance effect of the transverse and longitudinal phonon modes. This phonon resonance results in the localization of the longitudinal modes, which leads to the reduction of thermal conductivity in core-shell nanowires. Our study reveals that a coherent mechanism can be used to tune thermal conductivity in core-shell nanowires.


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