Elastic in-plane properties of 2D linearized models of graphene

Berinskii, I. E.; Borodich, Feodor M.

doi:10.1016/j.mechmat.2013.03.004

Cited by 42 publications

(20 citation statements)

References 36 publications

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“…beam models are clear since bond between 2 neighbor atoms is always strait and never bent. Further limitations of the beam models have been discussed in [12]. It should be noted that fracture of α-P nanotubes cannot be studied by the compass force field, which was used in [9], and by the harmonic force field, which was used in [11], because the bond energy computed from the compass or harmonic force field becomes infinite when bond extension tends to the infinite.…”

Section: Introductionmentioning

confidence: 99%

Atomistic simulation of the uniaxial tension of black phosphorene nanotubes

Nguyen

2018

Vietnam J. Mech.

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In the present work, the uniaxial tensile tests of 3 pairs black phosphorene nanotubes are simulated by molecular dynamics finite element method with Stillinger-Weber potential. Each pair contains an armchair black phosphorene nanotube and a zigzag one, which have approximately equal diameters. Three armchair black phosphorene nanotubes, namely (0, 15), (0, 19) and (0, 21); and three zigzag black phosphorene nanotubes, namely (20, 0), (26, 0) and (28, 0), are considered. We found that the Young's modulus of these tubes increases when their diameter increases. Their fracture stress and fracture strain are also investigated.

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Section: Introductionmentioning

confidence: 99%

Atomistic simulation of the uniaxial tension of black phosphorene nanotubes

Nguyen

2018

Vietnam J. Mech.

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“…However, the rod bond model at the reasonable parameters give a much lower value of the flexural rigidity. Thus, the value of 1/2 can only be achieved if the thickness of the rod is close to its length and the material of the rod should have the negative Poisson ratio [39]. So, an important issue is to find a relatively simple mechanical model that allows for such a ratio of stiffness.…”

Section: Accepted Manuscriptmentioning

confidence: 99%

A hyperboloid structure as a mechanical model of the carbon bond

Berinskii

Кривцов

2016

International Journal of Solids and Structures

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Please cite this article as: I.E. Berinskii, A.M. Krivtsov, A hyperboloid structure as a mechanical model of the carbon bond, AbstractWe present a new mechanical model of interatomic bonds, which can be used to describe the elastic properties of the carbon allotropes, such as graphite, diamond, fullerene, and carbon nanotubes. The interatomic bond is modeled by a hyperboloid-shape truss structure. The elastic characteristics of this bond are determined. Previous known structural models also used elastic elements (beams, trusses) to simulate a carbon bond. However unlike them our model satisfies to the correct ratio of the longitudinal and lateral stiffness, observed from the previous experimental and theoretical results. Parameters of the bond in application for graphene and diamond were determined.

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“…Thus, we assume the same values for the equivalent beam elements as in the approach proposed in To [2006], Li and Chou [2003] and Kalamkarov et al [2006]. It should be noted here that this approach may have some disadvantages and should be used with caution, i.e., for large deformations and carbon structures in tension [Berinskii and Borodich, 2013]. The motions of these atoms are regulated by a force field and is the sum of contributions from bond stretch interaction, bond angle bending, dihedral angle torsion, improper (out of plane) torsion, and a non-bonded van der Waals interaction in the case of multi-walled tubes (see Fig.…”

Section: Materials Parameters and Boundary Conditionsmentioning

confidence: 99%

On the Influence of Atomic Modifications on the Structural Stability of Carbon Nanotube Hybrids: Numerical Investigation

Yengejeh

Kazemi

Öchsner

2014

Int. J. Appl. Mechanics

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Connected carbon nanotubes (CNTs) with parallel longitudinal axes and with bending angles were simulated by a commercial finite element package and their buckling behavior was investigated by performing several computational examinations. In addition, the effect of defects on the structural stability of these heterojunctions was analyzed. For this purpose, two different nanotube hybrids (straight and kink heterojunction) were constructed in their perfect forms. In the second phase, three most likely atomic defects, i.e., impurities (doping with Si atoms), vacant sites (carbon vacancy) and introduced perturbations of the ideal geometry in different amounts to the perfect models, were simulated. To conclude our study, the buckling behavior of imperfect heterojunctions was numerically evaluated and compared with the behavior of the perfect ones. It was concluded that the existence of any type of defects in the configuration of nanotube hybrids leads to a lower critical load and as a result, lower buckling properties. This study provides a better insight into the prediction of straight and kink heterojunction CNTs behavior.

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Elastic in-plane properties of 2D linearized models of graphene

Cited by 42 publications

References 36 publications

Atomistic simulation of the uniaxial tension of black phosphorene nanotubes

Atomistic simulation of the uniaxial tension of black phosphorene nanotubes

A hyperboloid structure as a mechanical model of the carbon bond

On the Influence of Atomic Modifications on the Structural Stability of Carbon Nanotube Hybrids: Numerical Investigation

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