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A novel two-dimensional carbon allotrope called PCF-graphene has beentheoretically proposed. The development of its nanostructured morphology hasarrangement a non-aromatic molecule cyclooctatetraene as a precursor(poly-cyclooctatetraene framework). This new carbon allotrope is purelysp2-hybridized carbon atoms. In the first-principles calculations, PCF-grapheneare thermally, mechanically, and dynamically stable. With a finite thickness of2.45{\AA}, PCF-graphene is a semiconductor with a direct band gap of 0.77 eV.Exhibits anisotropies in elastic properties, carrier mobility, and opticalabsorption. Despite having been proposed recently, the study of the mechanicalproperties of single-layer and nanotubes of PCF-graphene has not been developedyet. Thus, our motivation in this work is to study the mechanical properties ofPCF-graphene single-layer and nanotubes. Using state-of-the-art of the fullyatomistic classical molecular dynamics simulations method with the use of theinteratomic potential ReaxFF implemented in the LAMMPs code, we intend to studythe mechanical properties of PCF-graphene 1D and 2D. Our results showed that,the Young's Modulus for PCF-graphene single-layer for uniaxial strain in thex-direction ranges from 5651.7 - 4328.6 GPa.{\AA} and in the y-direction 2408.5- 1934.4 GPa{\AA} . The Young's modulus of the PCF-G-NTs ((0,n) and (n,0)) arerange 1850.5 - 2603.3 GPa{\AA} and, 386.25 - 1280.7 GPa{\AA}, respectively. ThePoisson's coefficients value are 0.20 and 0.48 for PCF-G-NTs (6,0) and (0,7),respectively. We believe that the new results presented to the scientificcommunity in nanoscience can contribute to a theoretical library for futureapplications of the PCF-graphene nanostructure in the sustained development ofnew electromechanical devices and new carbon-based materials.

Elasticity of the PCF-graphene-based single-layer and nanotubes  performed by state-of-the-art of reactive classical molecular dynamics  simulation method