A Self-Adaptive Umbrella Model for Vibration Analysis of Graphene.

Liu Chu,Eduardo Souza De Cursi,Hang Yu,Jiajia Shi

doi:10.3390/ma11122497

Liu Chu, Eduardo Souza De Cursi + Show 2 more

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https://doi.org/10.3390/ma11122497

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Abstract

The beam finite element and molecular dynamics models are two popular methods to represent the reaction of carbon-carbon bonds in graphene. However, the wrinkles and ripples in geometrical characteristics are difficult take into consideration. The out-planar mechanical properties are neglected in classical models of graphene. This paper proposes a self-adaptive umbrella model for vibration analysis of graphene. The parameters in the umbrella model are flexible to adapting the geometrical and material characteristics of graphene. The umbrella model consists of shell and beam elements. The honeycomb beam and planar shell model of graphene are included in the self-adaptive umbrella model as particular cases. The sensitivity analysis and results confirmed the rationality and feasibility of the self-adaptive umbrella model.

Highlights

Based on its special internal microstructure, graphene has extremely high electron mobility [1,2,3], extraordinary thermal properties [4], and impermeability to gases but optical transparency [5].Graphene has been measured to possess significant mechanical properties [6] with two-dimensional (2D) lattice stability [7]
Gao [11] discussed the mechanical properties of monolayer graphene under tensile and compressive loading by Quantum Mechanic (QM)
Displacement vector sum Rotation vector sum by comparing the resonant frequencies of the umbrella model for graphene in the three special cases with those in the literatures, the results of Case 2 are closer to the results of density functional theory, molecular dynamics, and molecular mechanics, especially the results provided by

Summary

Introduction

Based on its special internal microstructure, graphene has extremely high electron mobility [1,2,3], extraordinary thermal properties [4], and impermeability to gases but optical transparency [5]. Graphene has been measured to possess significant mechanical properties [6] with two-dimensional (2D) lattice stability [7]. The single layer carbon atoms in graphene are held together by a backbone of overlapping sp hybrid bonds [8]. Due to the stability of the sp bonds, the hexagonal lattice is formed with the capacity to resist in-plane deformations [9]. Based on diverse effective thickness and potential functions of graphene, numerous algorithms and theories have been proposed and developed, such as Quantum Mechanic (QM) calculations, molecular dynamic (MD) simulations, and continuum models (CM). Carbon atoms are expressed by tight binding molecular dynamics by Hernandez [12] by MD simulation

Results

Discussion

Conclusion