Tensile Properties of Carbon Nanoring Linked Graphene Sheets: A Molecular Dynamics Investigation

Shi, Gang; He, Yong; Zhang, Jian Wei; Jiang, Da Zhi

doi:10.4028/www.scientific.net/msf.913.607

Cited by 5 publications

(4 citation statements)

References 24 publications

(25 reference statements)

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“…In these CNR-graphene hybrids, the density and the diameter of CNR are the most important parameters responsible for the thermal transport. About the CNR-graphene hybrid nanostructure, the cross-linked CNRs considerably strengthen the interactions between adjacent graphene sheets . When the diameter of CNRs is large, or the CNR linkers are dense, the tensile strength of the hybrid reaches its maximum.…”

Section: Nanorings (Nanotori) Compositesmentioning

confidence: 99%

See 1 more Smart Citation

Carbon–Carbon Allotropic Hybrids and Composites: Synthesis, Properties, And Applications

Kharissova

Kharissov

González

2019

Ind. Eng. Chem. Res.

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Carbon−carbon allotropic hybrids and their composites are reviewed. Carbon−carbon hybrids are mainly composed of graphene, graphite, graphene oxide, reduced graphene oxide, carbon nanotubes, carbyne chains, fullerenes and more complex spherical and ring-ike carbon forms, graphene quantum dots, and carbon nanodots. Aerogels and xerogels on their basis are also discussed. Most of these hybrides consist of 3D architectures with either covalent or van der Waals interactions between carbon atoms, possessing unusual properties as compared to their counterparts, because of the simultaneous presence of carbon structures of distinct dimensionality and reactivity. These composites can be prepared by a variety of methods starting from already existing allotropes, or by their synthesis in situ, such as chemical vapor deposition, solvothermal techniques, pyrolysis, ultrasonication in solution, and other liquidphase methods, frequently including redox steps. Current and potential applications of hybrids and their metal-doped composites as supercapacitors, sensors, catalysts, and environmental remediation reactants are described.

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Section: Nanorings (Nanotori) Compositesmentioning

confidence: 99%

“…About the CNR-graphene hybrid nanostructure, the cross-linked CNRs considerably strengthen the interactions between adjacent graphene sheets. 91 When the diameter of CNRs is large, or the CNR linkers are dense, the tensile strength of the hybrid reaches its maximum.…”

Section: Industrial and Engineering Chemistry Researchmentioning

confidence: 99%

Carbon–Carbon Allotropic Hybrids and Composites: Synthesis, Properties, And Applications

Kharissova

Kharissov

González

2019

Ind. Eng. Chem. Res.

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“…For more insight, one may consult [ 7 , 8 ]. Further, [ 9 ] studied the buckling strain of the variants of Gr with varying in-plane compressive strains, see also [ 10 ]. Moreover, [ 11 , 12 ] focused on exploring the mechanical characteristics of the material with respect to surface functionalization.…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamic studies into the comparative optimization of thermo-mechanical characters of nano-composites of Ag and Cu reinforced by Graphene

Anjam¹,

Nasir

Cheema

et al. 2023

PLoS ONE

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This article fundamentally aims at the comparative study of thermo-mechanical characters of Gr/Ag and Gr/Cu nano-composites. For demonstration purposes, three dimensions that is, (1 0 0), (1 1 0) and (1 1 1), of the metals attached with single layer Graphene sheet are considered. The study is facilitated by the adaptation of the molecular dynamic simulations of the soft LAMMPS to mimic the broad range of experimental environment. The attributes of each structure and their orientations are elaborated over wide range of experimental states, encompassing temperature ranging from 300 K to 1500 K, to assess the melting behavior. The thermal and structural properties are explored by employing mean square displacement (MSD) and radial distribution function (RDF). Furthermore, the mechanical characters are elaborated along both arm-chair and zigzag directions. The findings are supported by producing relevant graphical displays of stress-strain curves and generating extravagant depictions of various dislocations with the application of visual molecular dynamics (VMD) tool. On the basis of intense and careful computational investigations, we witnessed that the Gr/Cu (1 1 1) orientation produced most profound melting characteristics along with distinctive strengthening and fracture mechanism. These outcomes are consistent in comparison of both Gr/Metals layered structures and also with respect to all considered metallic orientations. The findings are discussed thoroughly in a well-structured and synchronized fashion throughout the article.

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“…VGCNF–matrix adhesion together with interphase stiffness were analyzed in both pristine and oxidized VGCNF surface situations, and insight into carbon nanofiber–matrix interactions were successfully provided to facilitate multiscale material design. However, the existing MD simulation work on graphite-like structures mainly focuses on the properties of carbon nanotubes and graphene materials [ 12 , 13 , 14 , 15 ], and there are few reports on the interfacial mechanical behavior in fiber-reinforced ceramic composites.…”

Section: Introductionmentioning

confidence: 99%

Investigation on Cf/PyC Interfacial Properties of C/C Composites by the Molecular Dynamics Simulation Method

Zhou

et al. 2019

Materials

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In this paper, a molecular dynamics (MD) simulation model of carbon-fiber/pyrolytic-carbon (Cf/PyC) interphase in carbon/carbon (C/C) composites manufactured by the chemical vapor phase infiltration (CVI) process was established based on microscopic observation results. By using the MD simulation method, the mechanical properties of the Cf/PyC interphase under tangential shear and a normal tensile load were studied, respectively. Meanwhile, the deformation and failure mechanisms of the interphase were investigated with different sizes of the average length L ¯ a of fiber surface sheets. The empirical formula of the interfacial modulus and strength with the change of L ¯ a was obtained as well. The shear properties of the isotropic pyrolysis carbon (IPyC) matrix were also presented by MD simulation. Finally, the mechanical properties obtained by the MD simulation were substituted into the cohesive force model, and a fiber ejection test of the C/C composite was simulated by the finite element analysis (FEA) method. The simulation results were in good agreement with the experimental ones. The MD simulation results show that the shear performance of the Cf/PyC interphase is relatively higher when L ¯ a is small due to the effects of non-in-plane shear, the barrier between crystals, and long sheet folding. On the other hand, the size of L ¯ a has no obvious influence on the interfacial normal tensile mechanical properties.

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Tensile Properties of Carbon Nanoring Linked Graphene Sheets: A Molecular Dynamics Investigation

Cited by 5 publications

References 24 publications

Carbon–Carbon Allotropic Hybrids and Composites: Synthesis, Properties, And Applications

Carbon–Carbon Allotropic Hybrids and Composites: Synthesis, Properties, And Applications

Molecular dynamic studies into the comparative optimization of thermo-mechanical characters of nano-composites of Ag and Cu reinforced by Graphene

Investigation on Cf/PyC Interfacial Properties of C/C Composites by the Molecular Dynamics Simulation Method

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