Mechanical Properties of Vacancy Tuned Carbon Honeycomb

Xie, Lu; An, Haojie; He, Chenwei; Qin, Qin; Peng, Qing

doi:10.3390/nano9020156

Cited by 22 publications

(17 citation statements)

References 26 publications

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“…All studies in this paper were performed by MD simulations based on the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) package [31]. In order to describe the interatomic force between carbon atoms, we used the adaptive intermolecular reactive empirical bond order (AIREBO) potential function, which was widely used in the interaction between carbon structure atoms, such as graphene [32], carbon nanotube [33] and CHC [34].…”

Section: Methodsmentioning

confidence: 99%

Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

Xie

Sun

et al. 2019

Crystals

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The PSI-graphene, a two-dimensional structure, was a novel carbon allotrope. In this paper, based on molecular dynamics simulation, the effects of stretching direction, temperature and vacancy defects on the mechanical properties of PSI-graphene were studied. We found that when PSI-graphene was stretched along 0° and 90° at 300 K, the ultimate strength reached a maximum of about 65 GPa. And when stretched along 54.2° and 155.2° at 300 K, the Young’s modulus had peaks, which were 1105 GPa and 2082 GPa, respectively. In addition, when the temperature was raised from 300 K to 900 K, the ultimate strength in all directions was reduced. The fracture morphology of PSI-graphene stretched at different angles was also shown in the text. In addition, the number of points removed from PSI-graphene sheet also seriously affected the tensile properties of the material. It was found that, compared with graphene, PSI-graphene didn’t have the negative Poisson’s ratio phenomenon when it was stretched along the direction of 0°, 11.2°, 24.8° and 34.7°. Our results provided a reference for studying the multi-angle stretching of other carbon structures at various temperatures.

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Section: Methodsmentioning

confidence: 99%

Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

Xie

Sun

et al. 2019

Crystals

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“…The CHC showed higher tensile strength and bigger ultimate tensile strain along the cell-axis direction as the temperature decreased. As our previous work illustrated [32], ultimate tensile strength of CHC was about 23 GPa in the zigzag direction and 22 GPa in the armchair direction at 300 K. The comparison of the stress–strain curves of CHC from this work and DFT calculations [24] is plotted in Supplementary Figure S1 with the same scale of axis. Results obtained from MD simulations were slightly smaller than that obtained from DFT calculations.…”

Section: Resultsmentioning

confidence: 66%

The Temperature-Sensitive Anisotropic Negative Poisson’s Ratio of Carbon Honeycomb

Wang

Xie

et al. 2019

Nanomaterials

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We report that carbon honeycomb, a new three-dimension carbon allotrope, exhibits large negative Poisson’s ratio, as large as −0.32, in tensile revealed via molecular dynamics simulations. The Poisson’s ratio of carbon honeycomb is anisotropic, and sensitive to temperature. The carbon honeycomb has phase transformation from normal to auxetic by tensile, along both zigzag and armchair directions. The critical strain for the normal-auxetic transition along the cell-axis direction reduces with respect to an increase in temperature. Combined with high strength of 50 GPa, such a unique and adjustable negative Poisson ratio suggests broad engineering applications of carbon honeycomb.

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“…But the comprehensive theoretical studies of CHs [9,[16][17][18][19][20][21][22][23] proved their superb strength and stability. This strength remains at a high level but tunable with different cell sizes [17,24] and crucially depends on defectness of CH structures [25]. The mechanical simulations [9] showed that the Young's modulus of the structures is de-termined solely by the density of the hinges, and deformations are localized, similar to that of macroscopic honeycombs.…”

Section: Theory Of Chs and Important Applicationsmentioning

confidence: 98%

Absorption of atomic and molecular species in carbon cellular structures (Review article)

Krainyukova

Kuchta

Firlej

et al. 2020

Low Temperature Physics

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The paper presents a brief review of the recent developments in the field of absorption of atomic and molecular species in carbon cellular structures. Such absorbing objects can be distinctly recognized among a large family of carbon porous materials owing to potential and already observed in experiments very high capacity to soak and to keep inside different substances, which at usual conditions outside the porous matrices may often stay only in a gaseous form. High capacity filling is attained owing to single graphene-like walls separating different cells in the whole structures providing their lightweight. This property of cellular structures makes them very promising for numerous technological applications such as hydrogen storage in fuel cells and molecular sieving in membranes made from such structures or for their usage in microelectronics, photovoltaics and production of Li-ion batteries. Independently of the targeted applications gases are good candidates for probing tests of carbon matrices themselves.

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Mechanical Properties of Vacancy Tuned Carbon Honeycomb

Cited by 22 publications

References 26 publications

Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

The Temperature-Sensitive Anisotropic Negative Poisson’s Ratio of Carbon Honeycomb

Absorption of atomic and molecular species in carbon cellular structures (Review article)

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