Size-dependent dynamic characteristics of graphene based multi-layer nano hetero-structures

Abstract

Carbon-based nano hetero-structures are currently receiving increasing attention. In this paper, the vibration characteristics of graphene-hexagonal boron nitride (hBN) and graphenemolybdenum disulfide (MoS 2 ) are presented using atomistic finite element approach. Various possible scenarios, namely different geometrical configurations (armchair and zigzag), boundary conditions and aspect ratio are considered in the present study. The dynamic characteristics of nano hetero-structures studied have shown dependence on aspect ratio and the boundary conditions. Young's modulus (E) of the individual nanosheets significantly influences the vibrational behaviour of nano hetero-structures. Therefore, the values of E have also been predicted for individual sheets using atomistic simulations and correlated against the data in the literature.The natural frequencies of graphene-hBN nano hetero-structures predicted in the current work have been correlated against the molecular dynamics based studies available in the literature.The unique vibrational properties and large stiffness of nano hetero-structures identified in the present work make them a suitable candidate for manufacturing nanosensors, electromechanical resonators, and also will aid the nanomaterials research community to design various other nanodevices.

Atomically Thin Hexagonal Boron Nitride and Its Heterostructures

“…2D heterostructures can extend the potential applications compared with the individual constituents, since they can bring unprecedented novel properties and functions. [ 99–110 ] To date, most of devices are based on the exfoliated 2D materials and h‐BN flakes, which are highly depended on the quality of exfoliation, transfer process and interface statuses. [ 111 ] Therefore, this technique has a very low yield and significantly different performances from different researchers, [ 112 ] thereby showing only a state‐of‐art of device.…”

Unfolding the mechanical properties of buckypaper composites: nano- to macro-scale coupled atomistic-continuum simulations

“…GANS's numerical simulation involves a high-fidelity representation of GANS molecules, which means that the atoms and their interactions need to be considered in the simulations. The representative volume element approximations (RVE) offer reasonable accuracy in determining the mechanical properties of these nanostructures [21,[24][25][26][27][28][29]. On the other hand, the PFGCN structures can be represented by low-fidelity finite-element models considering the equivalent properties of GANS without the loss of accuracy [157,171].…”

Probing the Stochastic Dynamics of Coronaviruses: Machine Learning Assisted Deep Computational Insights with Exploitable Dimensions

“…Such approaches lead to achieving computational efficiency up to certain extent, suitable for carrying out a purely deterministic analysis involving only a few simulations. Examples include vibration of single and multilayer carbon nanotubes, [17] graphene sheets along with other 2D materials, [18][19][20][21][22][23] family of fullerene molecules, [24] to mention a few. Analysis of nano-scale biological systems including different viruses have also seen the application of elastic continuum and structural mechanics based approaches including finite element method (FEM).…”