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Phononic dispersion of graphene using atomistic-continuum model and spectrally formulated finite element method

Mukherjee, Sushovan and Gopalakrishnan, S (2017) Phononic dispersion of graphene using atomistic-continuum model and spectrally formulated finite element method. In: Conference on Nanosensors, Biosensors, Info-Tech Sensors and 3D Systems, MAR 26-29, 2017, Portland, OR.

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Official URL: http://dx.doi.org/10.1117/12.2260163

Abstract

Grapahene is a two dimensional allotrope of carbon. Since the onset of current century, particularly, upon successful exfoliation of single layer graphene, it has received significant research attention because of some of the extreme mechanical, thermal, electromagnetic and optical properties it exhibits. As various applications of graphene have been envisioned and their realizations attempted, dynamic characteristics of graphene also became an extremely important field of study. Based on solid state physics and first principle analysis, dispersion relationship of graphene has been computed using various methods. Some of these methods rely on various inter atomic potentials and force-fields. An approximate technique of mechanical characterization involves atomistic-continuum modeling of carbon carbon bonds in graphene and its rolled 1D form carbon nanotube. In this technique, the carbon-carbon bonds are modeled as 1D frame elements. The equivalence of energies in various modes of the actual structure and the equivalent mechanical system has led to specification of various model parameters. Here, based on atomistic continuum method, we attempt to compute the dispersion relationship accounting for the bonded interactions and the next nearest non-bonded interactions. For that purpose we use frequency domain spectral finite element method with pointed inertial components. It has been shown that it is possible to obtain the dispersion relationship close to the one computed using ab-initio method.

Item Type: Conference Proceedings
Additional Information: Conference on Nanosensors, Biosensors, Info-Tech Sensors and 3D Systems, Portland, OR, MAR 26-29, 2017 Copy right for this article belongs to the SPIE-INT SOC OPTICAL ENGINEERING, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Depositing User: Id for Latest eprints
Date Deposited: 02 Mar 2018 15:06
Last Modified: 02 Mar 2018 15:06
URI: http://eprints.iisc.ac.in/id/eprint/58900

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