Elastic bending modulus of monolayer graphene
Abstrak
An analytic formula is derived for the elastic bending modulus of monolayer graphene based on an empirical potential for solid-state carbon atoms. Two physical origins are identified for the non-vanishing bending stiffness of the atomically thin graphene sheet, one due to the bond-angle effect and the other resulting from the bond-order term associated with the dihedral angles. The analytical prediction compares closely with ab initio energy calculations. Pure bending of graphene monolayers into cylindrical tubes is simulated by a molecular mechanics approach, showing slight nonlinearity and anisotropy in the tangent bending modulus as the bending curvature increases. An intrinsic coupling between bending and in-plane strain is noted for graphene monolayers rolled into carbon nanotubes.
Topik & Kata Kunci
Penulis (3)
Q. Lu
M. Arroyo
Rui Huang
Akses Cepat
- Tahun Terbit
- 2009
- Bahasa
- en
- Total Sitasi
- 406×
- Sumber Database
- Semantic Scholar
- DOI
- 10.1088/0022-3727/42/10/102002
- Akses
- Open Access ✓