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:
node/4029
QiangLu's blog
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