Atomic-Scale Finite Element Method for Analyzing the Sensitivity of Graphyne-Based Resonators

Abstract

An atomic-scale finite element method was applied to analyze the sensitivities of α-, β-, γ-, and 6,6,12-graphyne-based resonators in mass detection under different boundary conditions. These sensitivities are then compared with that of a graphene-based resonator obtained in a previous study. According to the analysis results, among the graphyne-based resonators, the α type shows the highest sensitivity, while the γ type shows the lowest. In addition, the sensitivity decreases as the resonator size increases. We also find that the location of the attached mass has a significant effect on the sensitivity of the γ-graphyne-based resonators with different attached masses. The α-graphyne-based resonator with a small attached mass is also sensitive to change in location. However, the situation is different for a large attached mass. This study is significant for the future design and application of a graphynebased resonator with high sensitivity.

The Effect of Hole Geometry on the Nonlinear Nanomechanics of γ-Graphyne Structures: A Finite Element Analysis

“…They conducted uniaxial and biaxial tensile simulations using computational models of zigzag and armchair configurations and compared their results with equivalent molecular dynamics and density functional theory models, finding that they were in good agreement. Lee et al [29] applied an atomistic FE model to analyze the sensitivity of various graphyne-based resonators under different boundary conditions and size configurations. They compared the results with those of graphene-based resonators and concluded that graphyne derives higher sensitivity.…”

Nonlinear Finite Element Analysis of γ-Graphyne Structures under Shearing

“…MD has been also utilised [ 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 ] for the investigation of the mechanical response of various graphyne structures. It is worth noting that even though there are several first-principles and MD computations concerning two-dimensional graphynes, only some reports are associated with SM-based approaches for graphynes [ 29 , 30 , 31 , 32 , 33 , 34 , 35 , 36 ]. Still, most of these theoretical analyses, which are grounded on SM, concentrate on the calculation of the linear elastic properties of graphynes.…”