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Recently, laser-assisted chemical vapor deposition was used to synthesize afree-standing, continuous, and stable monolayer amorphous carbon (MAC). MAC isa pure carbon structure composed of randomly distributed five, six, seven, andeight atom rings, which differs from disordered graphene. More recently,amorphous MAC-based nanotubes (a-CNT) and nanoscrolls (A-CNS) were proposed. Inthis work, we have investigated (through fully atomistic reactive moleculardynamics simulations) the mechanical properties and melting points of pristineand a-CNT and a-CNS. Results showed that a-CNT and a-CNS have distinct elasticproperties and fracture patterns concerning their pristine analogs. Both a-CNTand a-CNS presented a non-elastic regime before their total rupture, whereasthe CNT and CNS undergo a direct conversion to fractured forms after a criticalstrain threshold. The critical strain for the fracture of the a-CNT and a-CNSare about 30% and 25%, respectively, and they are lower than the correspondingCNT and CNS cases. Although less resilient to tension, the amorphous tubularstructures have similar thermal stability in relation to the pristine caseswith melting points of 5500K, 6300K, 5100K, and 5900K for a-CNT, CNT, a-CNS,and CNS, respectively. An interesting result is whereas the behavior of thepristine systems is substantially different depending on the system being ananotube or a nanoscroll, thus indicating that the topology plays an importantrole, the same is not true for the amorphous version of the nanostructures,thus indicating that the structural disorder overcomes the topologicalfeatures.

physical chemistry chemical physics/pccp. physical chemistry chemical physics

A Reactive Molecular Dynamics Study on the Mechanical Properties of a  Recently Synthesized Amorphous Carbon Monolayer Converted into a  Nanotube/Nanoscroll