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@article{ART002845534},
author={Namnabat Mohammad Sadegh and Barzegar Amin and Barchiesi Emilio and Javanbakht Mahdi},
title={Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics},
journal={Carbon Letters},
issn={1976-4251},
year={2021},
volume={31},
number={5},
pages={895-910},
doi={10.1007/s42823-020-00194-2}

TY - JOUR
AU - Namnabat Mohammad Sadegh
AU - Barzegar Amin
AU - Barchiesi Emilio
AU - Javanbakht Mahdi
TI - Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics
JO - Carbon Letters
PY - 2021
VL - 31
IS - 5
PB - Korean Carbon Society
SP - 895
EP - 910
SN - 1976-4251
AB - Double-layer graphene nanoribbons promise potential application in nanoelectromechanical systems and optoelectronic devices, and knowledge about mechanical stability is a crucial parameter to fourish the application of these materials at the next generation of nanodevices. In this paper, molecular mechanics is utilized to investigate nonlinear buckling behavior, critical buckling stress, and lateral defection of double-layered graphene nanoribbons under various confgurations of stacking mode and chirality. The implicit arc-length iterative method (modifed Riks method) with Ramm’s algorithm is utilized to analyze the nonlinear structural stability problem. The covalent bonds are modeled using three-dimensional beam elements in which elastic moduli are calculated based on molecular structural mechanics technique, and the interlayer van der Waals (vdW) interactions are modeled with nonlinear truss elements. An analytical expression for Young’s modulus of nonlinear truss elements is derived based on the Lennard–Jones potential function and implemented in numerical simulation with a UMAT subroutine based on FORTRAN code to capture the nonlinearity of the vdW interactions during the buckling analysis. The results indicate that the highest critical buckling stress and the minimum lateral defection occur for armchair and zigzag chirality, both with AB stacking mode, respectively. Moreover, the critical buckling stress is found to be directly dependent on the mode shape number regardless of in-phase or anti-phase defection direction of layers. Lateral defection exhibits a similar trend with mode shape in anti-phase mode; however, it is decreasing by increasing mode shape number in in-phase mode.
KW - Nonlinear buckling analysis · Double-layered graphene nanoribbons · Critical buckling stress · Lateral defection · Molecular mechanics · Finite element method
DO - 10.1007/s42823-020-00194-2
ER -

Namnabat Mohammad Sadegh, Barzegar Amin, Barchiesi Emilio and Javanbakht Mahdi. (2021). Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics. Carbon Letters, 31(5), 895-910.

Namnabat Mohammad Sadegh, Barzegar Amin, Barchiesi Emilio and Javanbakht Mahdi. 2021, "Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics", Carbon Letters, vol.31, no.5 pp.895-910. Available from: doi:10.1007/s42823-020-00194-2

Namnabat Mohammad Sadegh, Barzegar Amin, Barchiesi Emilio, Javanbakht Mahdi "Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics" Carbon Letters 31.5 pp.895-910 (2021) : 895.

Namnabat Mohammad Sadegh, Barzegar Amin, Barchiesi Emilio, Javanbakht Mahdi. Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics. 2021; 31(5), 895-910. Available from: doi:10.1007/s42823-020-00194-2

Namnabat Mohammad Sadegh, Barzegar Amin, Barchiesi Emilio and Javanbakht Mahdi. "Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics" Carbon Letters 31, no.5 (2021) : 895-910.doi: 10.1007/s42823-020-00194-2

Namnabat Mohammad Sadegh; Barzegar Amin; Barchiesi Emilio; Javanbakht Mahdi. Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics. Carbon Letters, 31(5), 895-910. doi: 10.1007/s42823-020-00194-2

Namnabat Mohammad Sadegh; Barzegar Amin; Barchiesi Emilio; Javanbakht Mahdi. Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics. Carbon Letters. 2021; 31(5) 895-910. doi: 10.1007/s42823-020-00194-2

Namnabat Mohammad Sadegh, Barzegar Amin, Barchiesi Emilio, Javanbakht Mahdi. Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics. 2021; 31(5), 895-910. Available from: doi:10.1007/s42823-020-00194-2

Namnabat Mohammad Sadegh, Barzegar Amin, Barchiesi Emilio and Javanbakht Mahdi. "Nonlinear buckling analysis of double-layered graphene nanoribbons based on molecular mechanics" Carbon Letters 31, no.5 (2021) : 895-910.doi: 10.1007/s42823-020-00194-2