Molecular-Dynamics Simulations on Nanoindentation of Graphene-Diamond Composite Superstructures in Interlayer-Bonded Twisted Bilayer Graphene: Implications for Mechanical Metamaterials

2021 ◽  
Vol 4 (8) ◽  
pp. 8611-8625
Author(s):  
Mengxi Chen ◽  
Asanka Weerasinghe ◽  
Andre R. Muniz ◽  
Ashwin Ramasubramaniam ◽  
Dimitrios Maroudas
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Bilayer Graphene ◽  
Diamond Composite ◽  
Mechanical Metamaterials ◽  
Twisted Bilayer Graphene ◽  
Dynamics Simulations

scholarly journals A Molecular Dynamics Study of the Mechanical Properties of Twisted Bilayer Graphene

Micromachines ◽  
2018 ◽  
Vol 9 (9) ◽  
pp. 440 ◽  
Author(s):  
Aaron Liu ◽  
Qing Peng
Keyword(s):  
Mechanical Properties ◽  
Molecular Dynamics ◽  
Mechanical Strain ◽  
Bilayer Graphene ◽  
Pristine Graphene ◽  
Linear Elastic ◽  
Nonlinear Mechanical ◽  
Twisted Bilayer Graphene ◽  
Dynamics Simulations ◽  
Peak Pattern

Graphene is one of the most important nanomaterials. The twisted bilayer graphene shows superior electronic properties compared to graphene. Here, we demonstrate via molecular dynamics simulations that twisted bilayer graphene possesses outstanding mechanical properties. We find that the mechanical strain rate and the presence of cracks have negligible effects on the linear elastic properties, but not the nonlinear mechanical properties, including fracture toughness. The “two-peak” pattern in the stress-strain curves of the bilayer composites of defective and pristine graphene indicates a sequential failure of the two layers. Our study provides a safe-guide for the design and applications of multilayer grapheme-based nanoelectronic devices.

Tunable Gigahertz Oscillators of Gliding Incommensurate Bilayer Graphene Sheets

2013 ◽  
Vol 80 (4) ◽  
Author(s):  
Ming Luo ◽  
Zhuhua Zhang ◽  
Boris I. Yakobson
Keyword(s):  
Molecular Dynamics ◽  
Surface Energy ◽  
Molecular Dynamics Simulations ◽  
Friction Force ◽  
Function Theory ◽  
Bilayer Graphene ◽  
Atomistic Simulations ◽  
Graphene Sheets ◽  
Dynamics Simulations ◽  
Oscillation Frequencies

Oscillators composed of incommensurate graphene sheets have been investigated by molecular dynamics simulations. The oscillation frequencies can reach tens of gigahertz range and depend on the surface energy of the bilayer graphene and the oscillatory amplitude. We demonstrate the tunability of such an oscillator in terms of frequency and friction by its varying geometric parameters. Exploration of the damping mechanism by combining the autocorrelation function theory and the direct atomistic simulations reveals that the friction force is proportional to the velocity of oscillatory motion. The results should help optimize the design of graphene-based nanoelectromechanical devices.

Nature-inspired entwined coiled carbon mechanical metamaterials: molecular dynamics simulations

Nanoscale ◽  
2018 ◽  
Vol 10 (33) ◽  
pp. 15641-15653 ◽  
Author(s):  
Jianyang Wu ◽  
Qiao Shi ◽  
Zhisen Zhang ◽  
Hong-Hui Wu ◽  
Chao Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pronounced Increase ◽  
Mechanical Metamaterials ◽  
Dynamics Simulations

Elegant metastructures by which sparse carbon nanohelixes are entwined each other confer pronounced increase in stiffnesses to the native systems, beyond the scalability of mechanical springs in-parallel.

scholarly journals The effects of Stone–Wales defects on the thermal properties of bilayer armchair graphene nanoribbons

RSC Advances ◽  
2020 ◽  
Vol 10 (33) ◽  
pp. 19254-19257
Author(s):  
Xingli Zhang ◽  
Jinglan Zhang ◽  
Ming Yang
Keyword(s):  
Molecular Dynamics ◽  
Thermal Properties ◽  
Molecular Dynamics Simulations ◽  
Graphene Nanoribbons ◽  
Bilayer Graphene ◽  
Nonequilibrium Molecular Dynamics ◽  
Armchair Graphene Nanoribbons ◽  
Dynamics Simulations ◽  
Armchair Graphene

We investigate the influence of Stone–Wales (S–W) defects on the thermal properties of bilayer graphene nanoribbons (BGNRs) with armchair edges by nonequilibrium molecular dynamics simulations (NEMD).

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