Asymmetric energy transport in defected boron nitride nanoribbons: Implications for thermal rectification

Krishna Muralidharan; R. G. Erdmann; K. Runge; P. A. Deymier

doi:10.1063/1.3675924

Asymmetric energy transport in defected boron nitride nanoribbons: Implications for thermal rectification

Krishna Muralidharan, R. G. Erdmann, K. Runge, P. A. Deymier

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Abstract

Using molecular dynamics simulations, the thermal transport properties of boron nitride nanoribbons (BNNR) containing geometrically-asymmetric triangular nano-vacancies were investigated. By suitably interpreting the time-evolution of spatially decomposed heat-current autocorrelation function in terms of phonon propagation characteristics, we have demonstrated the possibility of observing defect induced direction-dependent thermal transport in BNNR. This was further confirmed by appropriate analysis of direction dependent thermal diffusivity estimations in BNNR.

Original language	English (US)
Article number	041703
Journal	AIP Advances
Volume	1
Issue number	4
DOIs	https://doi.org/10.1063/1.3675924
State	Published - Dec 2011

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General Physics and Astronomy

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abstract = "Using molecular dynamics simulations, the thermal transport properties of boron nitride nanoribbons (BNNR) containing geometrically-asymmetric triangular nano-vacancies were investigated. By suitably interpreting the time-evolution of spatially decomposed heat-current autocorrelation function in terms of phonon propagation characteristics, we have demonstrated the possibility of observing defect induced direction-dependent thermal transport in BNNR. This was further confirmed by appropriate analysis of direction dependent thermal diffusivity estimations in BNNR.",

author = "Krishna Muralidharan and Erdmann, {R. G.} and K. Runge and Deymier, {P. A.}",

note = "Funding Information: We gratefully acknowledge support from NSF under the award number 0924103. ",

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journal = "AIP Advances",

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T2 - Implications for thermal rectification

AU - Muralidharan, Krishna

AU - Erdmann, R. G.

AU - Runge, K.

AU - Deymier, P. A.

N1 - Funding Information: We gratefully acknowledge support from NSF under the award number 0924103.

PY - 2011/12

Y1 - 2011/12

N2 - Using molecular dynamics simulations, the thermal transport properties of boron nitride nanoribbons (BNNR) containing geometrically-asymmetric triangular nano-vacancies were investigated. By suitably interpreting the time-evolution of spatially decomposed heat-current autocorrelation function in terms of phonon propagation characteristics, we have demonstrated the possibility of observing defect induced direction-dependent thermal transport in BNNR. This was further confirmed by appropriate analysis of direction dependent thermal diffusivity estimations in BNNR.

AB - Using molecular dynamics simulations, the thermal transport properties of boron nitride nanoribbons (BNNR) containing geometrically-asymmetric triangular nano-vacancies were investigated. By suitably interpreting the time-evolution of spatially decomposed heat-current autocorrelation function in terms of phonon propagation characteristics, we have demonstrated the possibility of observing defect induced direction-dependent thermal transport in BNNR. This was further confirmed by appropriate analysis of direction dependent thermal diffusivity estimations in BNNR.

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Asymmetric energy transport in defected boron nitride nanoribbons: Implications for thermal rectification

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