Stress-strain behavior of two-layer graphene with different chirality

Graphene is a two-dimensional sheet containing carbon atoms arranged as ahoneycomb lattice. Graphene has been recently the subject of much interest dueto its unique mechanical, thermal, and electrical properties. The experimentalmethod for calculating the mechanical properties of graphene is complexbecause of its nanoscale lateral dimension, so the use of the theoretical methodfor calculating the properties of monolayer graphene has also received muchattention recently.In this study, two-layer graphene with two different chirality angles was modeledby molecular dynamics in LAMMPS software. In summary, this research involvesproducing the primary structure, balancing the sample, applying the axial tensiletest, and extracting the stress-strain graph from the sample. The simulatedgraphene has a value of 102.2*100.8 Å and an interlayer distance is 3.4 Å.The results showed that as the number of sheets increased, the amount ofYoung's modulus was more than that of the single-layer graphene. In addition,the fracture strength of the two-layer armchair graphene is greater than thefracture strength of the two-layer zigzag graphene. Then, by increasing thechirality angle, the fracture strength decreases. Finally, it was shown that byincreasing the chirality angle in two-layer graphene from 0 ° (armchair) to 30 °(zigzag), the Young's modulus value increases, while by increasing the chiralityangle in single-layer graphene from 0 ° to 30 °, the Young's modulus does notchange significantly