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Advances in Nano Research
  Volume 12, Number 5, May 2022 , pages 529-547

High-velocity ballistics of twisted bilayer graphene under stochastic disorder
K. K. Gupta, T. Mukhopadhyay, L. Roy and S. Dey

    Graphene is one of the strongest, stiffest, and lightest nanoscale materials known to date, making it a potentially viable and attractive candidate for developing lightweight structural composites to prevent high-velocity ballistic impact, as commonly encountered in defense and space sectors. In-plane twist in bilayer graphene has recently revealed unprecedented electronic properties like superconductivity, which has now started attracting the attention for other multi-physical properties of such twisted structures. For example, the latest studies show that twisting can enhance the strength and stiffness of graphene by many folds, which in turn creates a strong rationale for their prospective exploitation in high-velocity impact. The present article investigates the ballistic performance of twisted bilayer graphene (tBLG) nanostructures. We have employed molecular dynamics (MD) simulations, augmented further by coupling gaussian process-based machine learning, for the nanoscale characterization of various tBLG structures with varying relative rotation angle (RRA). Spherical diamond impactors (with a diameter of 25Å) are enforced with high initial velocity (Vi) in the range of 1 km/s to 6.5 km/s to observe the ballistic performance of tBLG nanostructures. The specific penetration energy (Ep*) of the impacted nanostructures and residual velocity (Vr) of the impactor are considered as the quantities of interest, wherein the effect of stochastic system parameters is computationally captured based on an efficient Gaussian process regression (GPR) based Monte Carlo simulation approach. A data-driven sensitivity analysis is carried out to quantify the relative importance of different critical system parameters. As an integral part of this study, we have deterministically investigated the resonant behaviour of graphene nanostructures, wherein the high-velocity impact is used as the initial actuation mechanism. The comprehensive dynamic investigation of bilayer graphene under the ballistic impact, as presented in this paper including the effect of twisting and random disorder for their prospective exploitation, would lead to the development of improved impact-resistant lightweight materials.
Key Words
    ballistic performance; coupled molecular dynamics simulation; Gaussian process regression; Monte Carlo simulation; twisted bilayer graphene
K. K. Gupta, L. Roy and S. Dey : Department of Mechanical Engineering, National Institute of Technology Silchar, Silchar, India

T. Mukhopadhyay: Department of Aerospace Engineering, Indian Institute of Technology Kanpur, Kanpur, India

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