Elastic behavior of bilayer graphene under in-plane loadings

Atomistic Studies of Mechanical Properties of Graphene

“…The elastic modulus and Poisson's ratio are determined as E = 381-385 N/m and ν = 0.456 ± 0.008, respectively. They are close to the upper limit of the reported ranges of the elastic modulus of graphene (E = 312-384 N/m) and Poisson's ratio (ν = 0.16-0.46 [18,21,34,35,47,48,[56][57][58]. It is found that both the values of E and ν are actually not sensitive to the chirality angle θ, and thus graphene can be considered to be isotropic under small deformation.…”

“…With developing the better force field and numerical algorithms (e.g., COMPASS force field [44]), the MD simulations have played a very important role in investigating the mechanical behavior of graphene, including in-plane tension [14][15][16][17][18][19][20]45], compression [27], vibration [26] and indentation/free standing indentation [46] as well as out-of-plane bending [29]. Because the elastic modulus of graphene is not sensitive to temperature [15], the molecular mechanics (MM) simulations have been used to study the mechanical behavior of graphene [21][22][23][24][25].…”

“…The atomic simulations of graphene are mainly based on the classical molecular dynamics (MD) with empirical interatomic potentials [14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33], the semi-empirical methods (tight-biding) [14,34] and the first-principle quantum mechanics (QM) calculations [35][36][37][38][39][40][41][42].…”

Size dependency and potential field influence on deriving mechanical properties of carbon nanotubes using molecular dynamics

“…Therefore, researchers have modified the cut-off radii ranging from 1.9 Å to 2.2 Å [24,25] to eliminate this non-physical strain hardening. However, none of the previous studies have given much insight into the effect of cut-off function on the stress-strain relation, and this non-physical behaviour continues to prevail in recent simulation studies [21,26].…”

A Comparison Between Graphene and WS2 as Solid Lubricant Additives to Aluminum for Automobile Applications

“…It is worth noting that GNPs tend to align perpendicularly to the pressure, resulting in anisotropic mechanical properties of composites [104]. It has been demonstrated that the structure of graphene is unstable due to the atomic thickness [105], however, the sp2 bonding in graphene yields to effective lubricating properties of easy shearing and delamination of the 2D graphene planes. By observing the atomistic thickness of the layer, it is possible to explain the microscopic origin of friction and tribological properties of graphene.…”