Bending and stretching behavior of graphene structures using continuum models calibrated with modal analysis

B Azizi, M Shariati, SSMN Souq, M Hosseini - Applied Mathematical …, 2023 - Elsevier
Applied Mathematical Modelling, 2023Elsevier
Two-dimensional nanomaterials exhibit specific mechanical characteristics essential for
commercialization and industrial applications, such as nano electro-mechanical systems.
When analyzing a mechanical field, it is important to determine these materials' bending
stiffness and stretching properties. The apparent bending stiffness and stretching of
graphene structures at the macro-scale differ from theoretical predictions at the nano-scale.
This discrepancy results from thermally generated dynamic waves in these atomic-based …
Abstract
Two-dimensional nanomaterials exhibit specific mechanical characteristics essential for commercialization and industrial applications, such as nano electro-mechanical systems. When analyzing a mechanical field, it is important to determine these materials' bending stiffness and stretching properties. The apparent bending stiffness and stretching of graphene structures at the macro-scale differ from theoretical predictions at the nano-scale. This discrepancy results from thermally generated dynamic waves in these atomic-based structures. Therefore, characterization methods based on atomistic static methods were unable to capture these effects. This study uses hybrid atomistic-continuum models to apply modal analysis to determine these key parameters. The proposed approach exploits the advantages of both atomistic and continuum models. Our approach is based on optimization techniques such as the simulated annealing algorithm. The unknown parameters of the continuum models, such as the bending stiffness and stretching, were acquired from molecular dynamics simulations and continuum mechanics resonance frequencies. The effects of diameter on the mechanical properties and value of different mode shapes of graphene nanostructures are studied using this method, which incorporates the effects of nano and macro-scale models. The presented approach provides insight into the mechanical vibrational characteristics of two-dimensional graphene structures at an atomic level.
Elsevier
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