Nano-architected 2D Metamaterials for Enhancing the Mechanical Properties Beyond Conventional Limits
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Nano-architected metamaterials have recently enhanced the field of nanomaterials by showcasing the decoupling of previously defined properties. The wonder material graphene, discovered from graphite by a simple scotch tape, boasts remarkable strength (120 GPa) and stiffness (1 TPa). However, its inherent fragility, breaking under even small stretches, poses a substantial constraint on its broad utility in many applications. The development of techniques for enhancing graphene's flexibility is therefore crucial. Our work focuses on techniques to improve graphene's flexibility, with a notable approach being the nano-architectural modelling of graphene through kirigami. In this study, Molecular Dynamics simulations are employed to investigate the mechanical behaviour of graphene kirigami models subjected to tensile loads. The flip and rotation mechanism (out-of-plane deformation) in the structure led to an increase in the flexibility of graphene way beyond pristine graphene. The simulations are conducted using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), while Open Visualization Tool (Ovito) aids in rendering insightful visualizations. The modelling of graphene kirigami structures is facilitated through a combination of LAMMPS and Virtual Molecular Dynamics (VMD) topotool plugin. This work showcases the potential for harnessing geometric manipulation to enhance and tune graphene's mechanical properties, opening new avenues for its application in advanced devices, especially flexible and wearable electronics, strain sensors, and engineering aircraft wings capable of damping vibrations, deformable wing structures, and the reduction in overall weight for better fuel efficiency.