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Molecular Dynamics Study of Phonon Screening in Graphene

Javvaji, Brahmanandam and Mahapatra, Roy D and Raha, S (2014) Molecular Dynamics Study of Phonon Screening in Graphene. In: Conference on Nanosensors, Biosensors, and Info-Tech Sensors and Systems, MAR 10-12, 2014, San Diego, CA.

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Official URL: http://dx.doi.org/ 10.1117/12.2047308


Phonon interaction with electrons or phonons or with structural defects result in a phonon mode conversion. The mode conversion is governed by the frequency wave-vector dispersion relation. The control over phonon mode or the screening of phonon in graphene is studied using the propagation of amplitude modulated phonon wave-packet. Control over phonon properties like frequency and velocity opens up several wave guiding, energy transport and thermo-electric applications of graphene. One way to achieve this control is with the introduction of nano-structured scattering in the phonon path. Atomistic model of thermal energy transport is developed which is applicable to devices consisting of source, channel and drain parts. Longitudinal acoustic phonon mode is excited from one end of the device. Molecular dynamics based time integration is adopted for the propagation of excited phonon to the other end of the device. The amount of energy transfer is estimated from the relative change of kinetic energy. Increase in the phonon frequency decreases the kinetic energy transmission linearly in the frequency band of interest. Further reduction in transmission is observed with the tuning of channel height of the device by increasing the boundary scattering. Phonon mode selective transmission control have potential application in thermal insulation or thermo-electric application or photo-thermal amplification.

Item Type: Conference Proceedings
Series.: Proceedings of SPIE
Additional Information: Copy right for this article belongs to the SPIE-INT SOC OPTICAL ENGINEERING, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
Keywords: Molecular dynamics; graphene; graphene nanoribbon; phonon; transmission
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Date Deposited: 13 Aug 2014 12:00
Last Modified: 13 Aug 2014 12:00
URI: http://eprints.iisc.ac.in/id/eprint/49645

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