Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Effect of edge structures on elastic modulus and fracture of graphene
  nanoribbons under uniaxial tension   Based on atomistic simulations, the nonlinear elastic properties of monolayer
graphene nanoribbons under quasistatic uniaxial tension are predicted,
emphasizing the effect of edge structures (armchair and zigzag, without and
with hydrogen passivation). The results of atomistic simulations are
interpreted within a theoretical framework of thermodynamics, which enables
determination of the nonlinear functions for the strain-dependent edge energy
and the hydrogen adsorption energy, for both zigzag and armchair edges. Due to
the edge effects, the initial Young's modulus of graphene nanoribbons under
infinitesimal strain varies with the edge chirality and the ribbon width.
Furthermore, it is found that the nominal strain to fracture is considerably
lower for armchair graphene nanoribbons than for zigzag ribbons. Two distinct
fracture mechanisms are identified, with homogeneous nucleation for zigzag
ribbons and edge-controlled heterogeneous nucleation for armchair ribbons.
Hydrogen passivation of the edges is found to have negligible effect on the
mechanical properties of zigzag graphene nanoribbons, but its effect is more
significant for armchair ribbons.

1
The categories of this paper are: cs
0
The categories of this paper are: hep-ph
37
The categories of this paper are: supr-con
28
The categories of this paper are: alg-geom
11
The categories of this paper are: hep-lat
17
The categories of this paper are: q-fin
3
The categories of this paper are: physics
5
The categories of this paper are: gr-qc
30
The categories of this paper are: q-alg
10
The categories of this paper are: q-bio
19
The categories of this paper are: eess
25
The categories of this paper are: patt-sol
27
The categories of this paper are: comp-gas
8
The categories of this paper are: hep-ex
34
The categories of this paper are: chem-ph
23
The categories of this paper are: solv-int