Nanomechanics of carbon honeycomb cellular structures

Zhang, Ziang; Kutana, Alex; Yang, Yang; Krainyukova, N. V.; Penev, Evgeni S.; Yakobson, Boris I.

doi:10.1016/j.carbon.2016.11.020

Cited by 68 publications

(56 citation statements)

References 39 publications

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“…2. But in the more recent study [6] it had been revealed the contribution of the structures not only of the zigzag type (hcZn0) but also armchair (hcA1) with the highest possible density predicted and considered in [9] (Fig. 3).…”

Section: Carbon Honeycomb Structuresmentioning

confidence: 98%

“…Such junction structures called in [1] "carbon honeycomb" (CH) are different from other graphitic materials observed previously. In CHs two "wall-chiralities" (armchair and zigzag) may form [9]. Some other modifications similar to CHs [10][11][12][13] called "carbon foams" were predicted in theory and in principle are also possible but have not observed yet.…”

Section: Carbon Honeycomb Structuresmentioning

confidence: 99%

“…In the procedure of the comparison of experimental and calculated intensities we apply the reliability factor [6]: a fragment of a regular densest honeycomb structure of a zigzag type (hcZn0), the densest honeycomb structure of an armchair type [9] (hcA1) (here a is a parameter of the hexagonal honeycomb lattice) and a small graphitic fragment (Gr), whose contribution to the total diffraction intensity, as a rule, does not exceed ~ 5%. In the hcA1 structure, the distance d 100 corresponds to the diffraction peak (100) hcA1 shown in Fig.…”

Section: Carbon Honeycomb Structuresmentioning

confidence: 99%

See 2 more Smart Citations

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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Section: Carbon Honeycomb Structuresmentioning

confidence: 98%

Section: Carbon Honeycomb Structuresmentioning

confidence: 99%

Section: Carbon Honeycomb Structuresmentioning

confidence: 99%

See 1 more Smart Citation

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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show abstract

“…Materials with different mechanical, thermal, and electrical properties are needed to design smart and functional devices. However, little theoretical work on the mechanical properties of 3D graphene, particularly the deformation and failure mechanism, have been reported . Recently, high specific strength and anomalous Poisson ratio in 3D graphene are found based on DFT calculations .…”

Section: Introductionmentioning

confidence: 99%

“…The high specific strength and anisotropic Poisson ratio may be utilized to design multifunctional structures used for biomedical engineering or energy systems . The in‐plane compression and out‐of plane nanoindentation simulations on the 3D graphene display that the Young's modulus of the 3D graphene is dominated by the hinge density and a highly localized compression behavior is observed . Very recently, out‐of‐plane compressive deformation behaviors of 3D graphene are investigated by combining atomistic simulations and continuum modeling .…”

Section: Introductionmentioning

confidence: 99%

Atomistic Simulations on the Tensile Deformation Behaviors of Three‐Dimensional Graphene

Liu

Yue

et al. 2018

Physica Status Solidi (b)

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Molecular dynamics simulations is used to investigate the mechanical properties of three‐dimensional (3D) graphene under uniaxial tensile loading. The results show that the tensile deformation of 3D graphene exhibits size dependence along both armchair and zigzag directions. By analyzing the atomic von Mises stress and structural evolution, compared to the 3D graphene with smaller in‐plane cell size, the larger 3D graphene exhibits two typical deformation events, i.e., transverse structural shrinkage and axial elastic deformation. The fracture stress of 3D graphene is much smaller than that of 2D graphene because of its porous structure. However, the fracture strain of 3D graphene is larger than that of 2D graphene due to the larger transverse structural shrinkage along both armchair and zigzag directions. Effects of temperature, strain rate, and thickness of 3D graphene on the tensile behavior is investigated. The simulation results indicate that the fracture stress and the fracture strain decrease with increasing temperature and with decreasing strain rate. However, the fracture stress and the fracture strain is not dependent on the thickness of 3D graphene. The results in this paper suggest that 3D graphene with higher stretchability tunable by in‐plane cell size can be promising multifunctional materials for many engineering applications.

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Tensile and Compressive Behavior of CHC‐Reinforced Copper using Molecular Dynamics

2023

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The development of highly tough and ductile metal composites is of particular importance for structural applications, namely in transport industries. There has been ongoing research efforts to harness graphene's outstanding mechanical properties by using it as nanofiller in the mechanical reinforcement of metal nanocomposites, [1][2][3] thus overcoming the typical strength-ductility trade-off. However, graphene's 2D structure brings several processing limitations, such as its tendency to restack and aggregate due to strong van der Waals interactions between layers [4] or low bending rigidity that leads to surface wrinkling, thus delaying a good stress distribution of stresses. [5] One strategy to overcome these limitations is to assemble graphene in 3D networks. [6] Carbon honeycombs (CHC) are novel carbon allotropes that consist in 3D cellular arrangements of graphene nanoribbons connected by sp 3 -hybridized carbon-edge atoms. These graphene nanoribbons form the "walls" of periodic hexagonal cells in a 3D structure that resembles a honeycomb. CHCs were first theorized by Karfunkel and Dressler in 1992, [7] but only in 2016 were they experimentally synthetized by Krainyukova et al. [8] from the deposition of vacuum-sublimated graphite.CHC's unique properties, such as high sorption and storage capacities, [9][10][11][12] membrane sieving, [13] high thermal conductivity, [14][15][16][17] or superior mechanical energy absorbing capacity [18] ), have been predicted mostly by first principles and molecular dynamics (MD) methods. The latter methods were also used to explore in detail the mechanical properties of CHCs.Using first principles, Pang et al. [19] demonstrated that CHCs have high tensile strength depending on cell size and show a marked anisotropic Poisson's ratio effect. They also realized that the honeycomb's stability is related to the combination of sp 2 bonding of graphene nanoribbons with sp 3 carbon bonding in the nanoribbons' junctions.Zhang et al. [20] used density-functional theory (DFT) and MD to study in-plane compressive loading of CHC and found that its mechanical properties are mainly dependent on cell size and on the density of junctions between graphene nanoribbons. They also observed a self-localized deformation behavior in CHC under compression.Gu et al. [21] employed DFT calculations and MD to show that CHCs can have remarkable strength and ductility even for small densities (0.5 g cm À3 ). They calculated strengths as high as

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Nanomechanics of carbon honeycomb cellular structures

Cited by 68 publications

References 39 publications

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

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

Atomistic Simulations on the Tensile Deformation Behaviors of Three‐Dimensional Graphene

Tensile and Compressive Behavior of CHC‐Reinforced Copper using Molecular Dynamics

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