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Study Of Torsional Buckling Behavior Of Carbon Nanotubes Using Molecular Dynamics Simulations

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dc.contributor.author Dodangoda, MT
dc.contributor.author Dilrukshi, KGS
dc.date.accessioned 2014-06-10T12:00:39Z
dc.date.available 2014-06-10T12:00:39Z
dc.date.issued 2014-06-10
dc.identifier.uri http://dl.lib.mrt.ac.lk/handle/123/10013
dc.description.abstract An accurate study of mechanical behavior of CNTs is vital to understand their response under mechanical loading in their applications. Much experimental and analytical work has been done to quantify the mechanical properties of CNTs over the past two decades. However, limited studies have been reported related to torsional behavior and estimation of shear modulus. The reported values of shear modulus of CNTs in the literature also shows considerable variations revealing the effects of the method used in the predictions. This paper reports the study carried out to investigate the effect of different parameters in estimating shear modulus and torsional buckling behavior of CNTs using molecular dynamic (MD) simulation method. MD simulator called large-scale atomic/molecular massively parallel simulator (LAMMPS) is used in this regards. The effects of potential function (REBO and AIREBO) used to define atomic interaction and ratios of the CNT considered in simulation were studied with respect to Armchair and Zigzag CNTs with different diameters. The results of the studyrevealed that the effect of the CNT aspect ratio for estimating the shear modulus can be eliminated by using the CNTs with aspect ratio above 12. However, potential function use for the simulations has considerable impact on the results. en_US
dc.language.iso en en_US
dc.subject Carbon Nanotubes (CNTs), Shear modulus, Molecular Dynamic (MD) simulations, REBO & AIREBO potential functions, Torsional buckling of CNTs en_US
dc.title Study Of Torsional Buckling Behavior Of Carbon Nanotubes Using Molecular Dynamics Simulations en_US
dc.type Conference-Full-text en_US
dc.identifier.faculty Engineering en_US
dc.identifier.department Department of Civil Engineering en_US
dc.identifier.year 2014 en_US
dc.identifier.conference Proceedings of Civil Engineering Research Symposium 2014 en_US
dc.identifier.place University of Moratuwa en_US
dc.identifier.pgnos 07 en_US
dc.identifier.proceeding Proceedings of Civil Engineering Research Symposium 2014 en_US
dc.identifier.email maneeshatharindi@yahoo.com en_US
dc.identifier.email dilrukshi@uom.lk en_US


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