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|Title:||Atomistic simulations of formation and stability of carbon nanorings||Authors:||Liu, P.
|Issue Date:||15-Sep-2005||Citation:||Liu, P., Zhang, Y.W., Lu, C. (2005-09-15). Atomistic simulations of formation and stability of carbon nanorings. Physical Review B - Condensed Matter and Materials Physics 72 (11) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.72.115408||Abstract:||Atomistic simulations of the formation and stability of nanorings through the energy relaxation of geometrically folded single-walled carbon closed rings are performed using the second-generation reactive bond-order potential. It is found that the critical diameter for forming a stable nanoring can be made significantly smaller than that observed in experiments. The critical diameter for an armchair nanoring is smaller than that for a zigzag nanoring with the same nanotube diameter. The effect of torsion on a nanoring reduces its critical diameter. A large flattening of the nanotube cross section is found to be effective for the reduction in stress and stiffness of the nanoring. In addition, the instability of a nanoring always starts with the formation of short wavelength ripples on the compressed side of the nanotube. Subsequently, some ripples will develop into buckles, resulting in buckling failures. © 2005 The American Physical Society.||Source Title:||Physical Review B - Condensed Matter and Materials Physics||URI:||http://scholarbank.nus.edu.sg/handle/10635/106968||ISSN:||10980121||DOI:||10.1103/PhysRevB.72.115408|
|Appears in Collections:||Staff Publications|
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