Tensile properties of pillared graphene block
H Amiri and JA Mohandesi and P Marashi, MATERIALS SCIENCE AND ENGINEERING B-ADVANCED FUNCTIONAL SOLID-STATE MATERIALS, 257, 114557 (2020).
Tensile properties of pillared graphene block (PGB) nanostructure are studied in this paper. This nanostructure is composed of four pillared graphene nanostructures connected to each other in a special order which preserves the honeycomb molecular bond order of graphene. Molecular dynamics simulations using AIREBO potential are utilized to investigate the tensile properties and thermodynamic stability of the nanostructure. Four structural parameters are defined for PGB nanostructure. By assigning different values to these geometrical parameters, 28 prototypes are virtually produced. Potential energy profile of each sample is traced to evaluate thermodynamic stability. After relaxation of the nanostructures, virtual uniaxial tensile tests are applied to assess the tensile properties in three dimensions. Young's modulus, fracture strength and fracture strain for each sample are obtained. All samples are thermodynamically stable having high Young's modulus and fracture strength. The strongest sample has fracture strength of 21.5 GPa and Young's modulus of 144 GPa.
Return to Publications page