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Abstract: Energetically the single sheet of graphite (graphene) is more stable than thenanotube. The energy difference between the two systems can be directly relatedto the strain energy involved in rolling up the graphene sheet to form thenanotube. We have carried out first principle electronic structure calculationsand evaluated the strain energy as a function of the nanotube radius. Thedependence of the strain energy on the diameter of the nanotube has been foundby several groups to be welldescribed by a continuum elasticity model. Weattempt to examine why this is the case and show where atomistics enter thedescription.



Autor: Roby Cherian, Priya Mahadevan

Fuente: https://arxiv.org/







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