Please use this identifier to cite or link to this item: https://idr.l4.nitk.ac.in/jspui/handle/123456789/6657
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dc.contributor.authorThomas, S.
dc.contributor.authorAjith, K.M.
dc.contributor.authorValsakumar, M.C.
dc.date.accessioned2020-03-30T09:45:57Z-
dc.date.available2020-03-30T09:45:57Z-
dc.date.issued2016
dc.identifier.citationAIP Conference Proceedings, 2016, Vol.1728, , pp.-en_US
dc.identifier.urihttp://idr.nitk.ac.in/jspui/handle/123456789/6657-
dc.description.abstractClassical molecular dynamics simulation is employed to analyze pair correlations in graphene and h-BN at various temperatures to explore the integrity of their respective structures. As the temperature increases, the height fluctuations in the out-of-plane direction of both graphene and h-BN are found to increase. The positional spread of atoms also increases with temperature. Thus the amplitude of the peak positions in the radial distribution function (RDF) decreases with temperature. It is found that FWHM of peaks in the RDF of h-BN is smaller as compared to those of graphene which implies that the structure of h-BN is more robust as compared to that of graphene with respect to their respective empirical potential. � 2016 Author(s).en_US
dc.titleStructural analysis of graphene and h-BN: A molecular dynamics approachen_US
dc.typeBook chapteren_US
Appears in Collections:2. Conference Papers

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