We investigate the bending properties of carbon nanoribbons by combining continuum elasticity theory and tight-binding atomistic simulations. First, we develop a complete analysis of a given bended configuration through continuum mechanics. Then, we provide by tight-binding calculations the value of the bending rigidity in good agreement with recent literature. We discuss the emergence of a stretching field induced by the full atomic-scale relaxation of the nanoribbon architecture. We further prove that such an in-plane strain field can be decomposed into a first contribution due to the actual bending of the sheet and a second one due to edge effects.
Interplay between bending and stretching in carbon nanoribbons
CADELANO, EMILIANO;GIORDANO, STEFANO;COLOMBO, LUCIANO
2010-01-01
Abstract
We investigate the bending properties of carbon nanoribbons by combining continuum elasticity theory and tight-binding atomistic simulations. First, we develop a complete analysis of a given bended configuration through continuum mechanics. Then, we provide by tight-binding calculations the value of the bending rigidity in good agreement with recent literature. We discuss the emergence of a stretching field induced by the full atomic-scale relaxation of the nanoribbon architecture. We further prove that such an in-plane strain field can be decomposed into a first contribution due to the actual bending of the sheet and a second one due to edge effects.
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