Molecular dynamic investigation of mechanical properties of armchair and zigzag double-walled carbon nanotubes under various loading conditions

Ranjbartoreh, Ali Reza; Wang, Guoxiu

doi:10.1016/j.physleta.2009.12.013

Cited by 29 publications

(4 citation statements)

References 28 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Here, in accordance with previous studies of the mechanical properties of CNTs [28][29][30], the second-generation Brenner potential [31] was used to model the energetics and dynamics of the covalent bonds between carbon atoms in an SWCNT. The Brenner potential is given by [31]:…”

Section: Molecular Dynamics Simulationmentioning

confidence: 99%

Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

et al. 2011

View full text Add to dashboard Cite

Section: Molecular Dynamics Simulationmentioning

confidence: 99%

Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

et al. 2011

View full text Add to dashboard Cite

“…Molecular dynamics (MD) simulations are recognized as one of the most reliable methods in the study of nanostructured materials. The elastic behavior of graphene sheets using molecular dynamics simulations subjected to various static loading conditions such as axial, pressure and torsional [22] has been studied in the literatures. Fracture behavior of nanostructures is important for many engineering and nano-electro-mechanical systems such as sensor devices [23] and clocks.…”

Section: Introductionmentioning

confidence: 99%

Fracture Analysis of Vacancy Defected Nitrogen Doped Graphene Sheets Via MD Simulations

Jahromi

Mehdipour²,

Firoozi

2021

MJMIE

View full text Add to dashboard Cite

The novel hexagonal monolayer sheet of carbon atoms, graphene, has attracted great attention due to their exceptional electrical and mechanical properties. Their phenomenally high strength and elastic strain, nevertheless, can be altered by structural defects due to stress concentration. In this paper, the fracture behaviour of graphene sheets and nitrogen doped graphene sheets with vacancies were investigated using molecular dynamics (MD) simulations at the different temperatures of 300K, 500K, and 900K. The results reveal a significant strength loss caused by both the defects and vacancies and doped nitrogen in graphene. The deformation process of graphene at various strain rate levels, with regard to the failure behaviour, is discussed. The validity of the proposed MD simulations is verified by comparing the simulation results with the available predictions from the quantized fracture mechanics.

show abstract

“…Strong covalent bonds between carbon atoms and unique honeycomb cells in cylindrical structure lead to its superior mechanical properties. CNTs have been widely used in composites [1], hydrogen storages [2], and other advanced technical applications [3,4]. Theoretical and experimental methods have been employed to study the mechanical properties of CNTs.…”

Section: Introductionmentioning

confidence: 99%

Effect of Topological Defects on Buckling Behavior of Single-walled Carbon Nanotube

Ranjbartoreh

Wang

2010

Nanoscale Res Lett

Self Cite

View full text Add to dashboard Cite

Molecular dynamic simulation method has been employed to consider the critical buckling force, pressure, and strain of pristine and defected single-walled carbon nanotube (SWCNT) under axial compression. Effects of length, radius, chirality, Stone–Wales (SW) defect, and single vacancy (SV) defect on buckling behavior of SWCNTs have been studied. Obtained results indicate that axial stability of SWCNT reduces significantly due to topological defects. Critical buckling strain is more susceptible to defects than critical buckling force. Both SW and SV defects decrease the buckling mode of SWCNT. Comparative approach of this study leads to more reliable design of nanostructures.

show abstract

Molecular dynamic investigation of mechanical properties of armchair and zigzag double-walled carbon nanotubes under various loading conditions

Cited by 29 publications

References 28 publications

Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

Multiscale modeling of the effect of carbon nanotube orientation on the shear deformation properties of reinforced polymer-based composites

Fracture Analysis of Vacancy Defected Nitrogen Doped Graphene Sheets Via MD Simulations

Effect of Topological Defects on Buckling Behavior of Single-walled Carbon Nanotube

Contact Info

Product

Resources

About