Analysis of cantilever single-layer nanoribbons oscillations: molecular dynamics simulations and two-phase elasticity theory
Document Type : Original Article
Authors
1 School of Mechanical Engineering, Shahrood University of Technology, Shahrood, Iran
2 School of Mechanical Engineering, Iran University of Science and Technology, Tehran, Iran
Abstract
This study aims to calibrate two main parameters of the two-phase elasticity theory in the vibration analysis of cantilever single-layer nanoribbons (CSLNRs): local mixture parameter and nonlocal parameter. To this end, firstly, cantilever single-layer nanoribbons with various lengths are simulated by molecular dynamics (MD) and the first two natural frequencies are extracted. The MD simulations of vibration of CSLNRs are done in LAMMPS. The bonding atomic interaction used in the simulations is described by the Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO) potential. Then, CSLNRs are modeled based on the Euler-Bernoulli theory and the two-phase elasticity theory. The governing equation of motion is derived by Hamilton’s method. Afterward, the relation for the frequencies of CSLNRs is obtained using the harmonic differential quadrature method (HDQM), which is a powerful numerical method in structural analysis. By comparing the first two frequencies of CSLNRs with various lengths obtained using MD simulations with those of the two-phase elasticity formulation; the local mixture parameter and the nonlocal parameter are calibrated to match the results of two methods. The results reveal that the calibrated local mixture and nonlocal parameters for predicting the first and second frequencies are dependent on the mode number of CSLNR. Additionally, as the local mixture parameter increases in discrete steps, the required nonlocal parameter exhibits a nonlinear growth. The findings of this study can be useful for the manufacturing of future nanoscale instruments based on the graphene nanoribbons.
Graphical Abstract
)
Keywords
)