| Autor: |
Okatiev, R. S., Zubko, I. Yu. |
| Předmět: |
|
| Zdroj: |
AIP Conference Proceedings; 2017, Vol. 1909 Issue 1, p1-4, 4p, 2 Diagrams |
| Abstrakt: |
In some cases, the classical interatomic interaction potentials allow quite an accurate estimation of the elastic moduli of a graphene sheet in its plane. However, they often provide lowered values of the bending rigidity. For a correct prediction of the latter, it is necessary to take into account the response of the covalent bond of carbon atoms in graphene to lattice bending. A new potential considering for the geometric structure of the sp²-hybridized carbon electron shell and containing an independent energy parameter (responsible only for bond bending) is built using invariants of vector triads which set up directions of carbon atom covalent bonds in graphene. The obtained potential gives realistic values of the graphene bending rigidity. Exact expressions have been derived in the form of finite sums for the computation of the bending rigidity and elastic moduli of the graphene sheet. The equations contain parameters of the suggested potential and coordinates of carbon atoms in a reference equilibrium configuration. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
