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Derivation of the bending stiffness from REBO potential -- Contribution from the dihedral term

Thanks to Marino, I have found the reason for the difference in our bending stiffness calculation. The original discussion is here:
http://imechanica.org/node/4029

The reason why we have a higher bending stiffness is due to the dihedral term. This dihedral term does have a significant contribution to the bending stiffness. However, in Ref. [26], apparently, this dihedral term was ignored.
I have written a short document showing the contribution of the dihedral term to the bending stiffness. Please take a look at the attachment.
I received great help from Dr. Huang and Marino. Thank you very much.


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Nonlinear mechanics of single-atomic-layer graphene sheets

Qiang Lu and Rui Huang

Department of Aerospace Engineering and Engineering mechanics, University of Texas, Austin,
TX 78712, USA


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