Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene Fiber

Crumpled graphene fiber is a promising structure to be a graphene precursor to enhance the production and mechanical properties of various carbon fibers. The primary goal of the present work is to study the crumpled graphene of different morphologies using molecular dynamics simulations to find the...

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Main Authors: Julia Baimova, Polina Polyakova, Stepan Shcherbinin
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Fibers
Subjects:
Online Access:https://www.mdpi.com/2079-6439/9/12/85
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author Julia Baimova
Polina Polyakova
Stepan Shcherbinin
author_facet Julia Baimova
Polina Polyakova
Stepan Shcherbinin
author_sort Julia Baimova
collection DOAJ
description Crumpled graphene fiber is a promising structure to be a graphene precursor to enhance the production and mechanical properties of various carbon fibers. The primary goal of the present work is to study the crumpled graphene of different morphologies using molecular dynamics simulations to find the effect of the structural peculiarities on the mechanical properties, such as the tensile strength, elastic modulus, and deformation characteristics. Mono- and poly-disperse structures are considered under uniaxial tension along two different axes. As it is found, both structures are isotropic and stress–strain curves for tension along different directions are very similar. Young’s modulus of crumpled graphene is close, about 50 and 80 GPa; however, the strength of the polydisperse structure is bigger at the elastic regime. While a monodisperse structure can in-elastically deform until high tensile strength of 90 GPa, structure analysis showed that polydisperse crumpled graphene fiber pores appeared two times faster than the monodisperse ones.
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spelling doaj.art-bcbc20f506314576aeae8a291c3464f72023-11-23T08:14:07ZengMDPI AGFibers2079-64392021-12-019128510.3390/fib9120085Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene FiberJulia Baimova0Polina Polyakova1Stepan Shcherbinin2Institute for Metals Superplasticity Problems of the Russian Academy of Sciences, Khalturina 39, 450001 Ufa, RussiaInstitute of Petroleum Engineering and Digital Technologies, Ufa State Petroleum Technological University, Kosmonavtov Str. 1, 450062 Ufa, RussiaLaboratory for Modeling Production Technologies and Processes B Coctabe, Peter the Great St. Petersburg Polytechnic University, Polytechnicheskaya 29, 195251 St. Petersburg, RussiaCrumpled graphene fiber is a promising structure to be a graphene precursor to enhance the production and mechanical properties of various carbon fibers. The primary goal of the present work is to study the crumpled graphene of different morphologies using molecular dynamics simulations to find the effect of the structural peculiarities on the mechanical properties, such as the tensile strength, elastic modulus, and deformation characteristics. Mono- and poly-disperse structures are considered under uniaxial tension along two different axes. As it is found, both structures are isotropic and stress–strain curves for tension along different directions are very similar. Young’s modulus of crumpled graphene is close, about 50 and 80 GPa; however, the strength of the polydisperse structure is bigger at the elastic regime. While a monodisperse structure can in-elastically deform until high tensile strength of 90 GPa, structure analysis showed that polydisperse crumpled graphene fiber pores appeared two times faster than the monodisperse ones.https://www.mdpi.com/2079-6439/9/12/85crumpled graphenemechanical propertiesmolecular dynamicsdeformation
spellingShingle Julia Baimova
Polina Polyakova
Stepan Shcherbinin
Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene Fiber
Fibers
crumpled graphene
mechanical properties
molecular dynamics
deformation
title Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene Fiber
title_full Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene Fiber
title_fullStr Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene Fiber
title_full_unstemmed Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene Fiber
title_short Effect of the Structure Morphology on the Mechanical Properties of Crumpled Graphene Fiber
title_sort effect of the structure morphology on the mechanical properties of crumpled graphene fiber
topic crumpled graphene
mechanical properties
molecular dynamics
deformation
url https://www.mdpi.com/2079-6439/9/12/85
work_keys_str_mv AT juliabaimova effectofthestructuremorphologyonthemechanicalpropertiesofcrumpledgraphenefiber
AT polinapolyakova effectofthestructuremorphologyonthemechanicalpropertiesofcrumpledgraphenefiber
AT stepanshcherbinin effectofthestructuremorphologyonthemechanicalpropertiesofcrumpledgraphenefiber