Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method

In this paper, the free vibration of defective nanographene is investigated using Molecular Dynamics Simulation (MD) and Differential Quadrature Method (DQM). The equations of motions and the related boundary conditions are derived based on the differential constitutive relations in conjunction with...

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Main Authors: Hossein Golestanian, ali khodadadi, mahmoud haghighi
Format: Article
Language:English
Published: Islamic Azad University-Isfahan (Khorasgan) Branch 2021-12-01
Series:International Journal of Advanced Design and Manufacturing Technology
Subjects:
Online Access:https://admt.isfahan.iau.ir/article_687301_ceabb2b4f67ee15f4ee834b5a7f0bb29.pdf
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author Hossein Golestanian
ali khodadadi
mahmoud haghighi
author_facet Hossein Golestanian
ali khodadadi
mahmoud haghighi
author_sort Hossein Golestanian
collection DOAJ
description In this paper, the free vibration of defective nanographene is investigated using Molecular Dynamics Simulation (MD) and Differential Quadrature Method (DQM). The equations of motions and the related boundary conditions are derived based on the differential constitutive relations in conjunction with the classical plate theory via Hamilton’s principle. Then, DQM is used to investigate free vibration of the nanographene with various boundary conditions. At first, in order to determine natural frequencies more realistically, nanographene mechanical properties are determined using MD simulations. The effects of defects are investigated by analyzing pristine and defective nanographenes containing Stone Wales, vacancy, and Adatom defects. According to the results, the non-dimensional fundamental natural frequency parameter converges to the analytical value for N=10×10. Results indicate that graphene with CCCC boundary conditions has the maximum natural frequency. The minimum value corresponds to the graphene with SSSS boundary conditions. In addition, Non-dimensional fundamental frequency parameter of the nanoplate increases with increasing nanoplate aspect ratio. Finally, defects reduce density, position ratio and elastic moduli of nanographene, which causes a decrease in natural frequency. Stone Wales and vacancy defects decrease nanographene natural frequencies by about 8 and 25 percent, respectively.
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spelling doaj.art-b2cc00d8843846a783edf7d8d2bdc6642023-10-18T08:47:01ZengIslamic Azad University-Isfahan (Khorasgan) BranchInternational Journal of Advanced Design and Manufacturing Technology2252-04062383-44472021-12-01144839010.30495/admt.2021.1928536.1276687301Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature MethodHossein Golestanian0ali khodadadi1mahmoud haghighi2Department of Mechanical Engineering, University of Shahrekord, IranDepartment of Mechanical Engineering, University of Shahrekord, IranDepartment of Mechanical Engineering, University of Shahrekord, IranIn this paper, the free vibration of defective nanographene is investigated using Molecular Dynamics Simulation (MD) and Differential Quadrature Method (DQM). The equations of motions and the related boundary conditions are derived based on the differential constitutive relations in conjunction with the classical plate theory via Hamilton’s principle. Then, DQM is used to investigate free vibration of the nanographene with various boundary conditions. At first, in order to determine natural frequencies more realistically, nanographene mechanical properties are determined using MD simulations. The effects of defects are investigated by analyzing pristine and defective nanographenes containing Stone Wales, vacancy, and Adatom defects. According to the results, the non-dimensional fundamental natural frequency parameter converges to the analytical value for N=10×10. Results indicate that graphene with CCCC boundary conditions has the maximum natural frequency. The minimum value corresponds to the graphene with SSSS boundary conditions. In addition, Non-dimensional fundamental frequency parameter of the nanoplate increases with increasing nanoplate aspect ratio. Finally, defects reduce density, position ratio and elastic moduli of nanographene, which causes a decrease in natural frequency. Stone Wales and vacancy defects decrease nanographene natural frequencies by about 8 and 25 percent, respectively.https://admt.isfahan.iau.ir/article_687301_ceabb2b4f67ee15f4ee834b5a7f0bb29.pdfdefective nanographenefree vibrationmolecular dynamicsquadrature method
spellingShingle Hossein Golestanian
ali khodadadi
mahmoud haghighi
Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method
International Journal of Advanced Design and Manufacturing Technology
defective nanographene
free vibration
molecular dynamics
quadrature method
title Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method
title_full Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method
title_fullStr Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method
title_full_unstemmed Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method
title_short Free Vibration of Defective Nanographene using Molecular Dynamics Simulation and Differential Quadrature Method
title_sort free vibration of defective nanographene using molecular dynamics simulation and differential quadrature method
topic defective nanographene
free vibration
molecular dynamics
quadrature method
url https://admt.isfahan.iau.ir/article_687301_ceabb2b4f67ee15f4ee834b5a7f0bb29.pdf
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AT alikhodadadi freevibrationofdefectivenanographeneusingmoleculardynamicssimulationanddifferentialquadraturemethod
AT mahmoudhaghighi freevibrationofdefectivenanographeneusingmoleculardynamicssimulationanddifferentialquadraturemethod