Investigation of interfacial mechanical properties of graphene-polymer nanocomposites

Feng Liu; Ning Hu; Meng Han; Satoshi Atobe; Huiming Ning; Yaolu Liu; Liangke Wu

doi:10.1080/08927022.2016.1154550

Investigation of interfacial mechanical properties of graphene-polymer nanocomposites

Feng Liu, Ning Hu, Meng Han, Satoshi Atobe, Huiming Ning, Yaolu Liu, Liangke Wu

ENG - Aerospace Engineering

Research output: Contribution to journal › Article › peer-review

13 Citations (Scopus)

Abstract

A series of graphene (GR) pull-out simulations based on molecular dynamics (MD) were carried out to investigate the interfacial mechanical properties between GR and a polymer matrix (polyethylene: PE). The effects of pull-out velocity, number of vacancy defect in GR and temperature on the interfacial mechanical properties of a GR/PE nanocomposite system were explored. The obtained results showed that the pull-out velocity and the temperature have significant influences on the interfacial mechanical properties for a perfect GR. Moderate vacancy defects in GR can effectively enhance the interfacial mechanical properties in GR-based polymer nanocomposites.

Original language	English
Pages (from-to)	1165-1170
Number of pages	6
Journal	Molecular Simulation
Volume	42
Issue number	14
DOIs	https://doi.org/10.1080/08927022.2016.1154550
Publication status	Published - 2016 Sept 21

Keywords

Molecular dynamics
graphene
interfacial mechanical property
nanocomposites
pull-out simulation

ASJC Scopus subject areas

Chemistry(all)
Information Systems
Modelling and Simulation
Chemical Engineering(all)
Materials Science(all)
Condensed Matter Physics

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10.1080/08927022.2016.1154550

Cite this

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title = "Investigation of interfacial mechanical properties of graphene-polymer nanocomposites",

abstract = "A series of graphene (GR) pull-out simulations based on molecular dynamics (MD) were carried out to investigate the interfacial mechanical properties between GR and a polymer matrix (polyethylene: PE). The effects of pull-out velocity, number of vacancy defect in GR and temperature on the interfacial mechanical properties of a GR/PE nanocomposite system were explored. The obtained results showed that the pull-out velocity and the temperature have significant influences on the interfacial mechanical properties for a perfect GR. Moderate vacancy defects in GR can effectively enhance the interfacial mechanical properties in GR-based polymer nanocomposites.",

keywords = "Molecular dynamics, graphene, interfacial mechanical property, nanocomposites, pull-out simulation",

author = "Feng Liu and Ning Hu and Meng Han and Satoshi Atobe and Huiming Ning and Yaolu Liu and Liangke Wu",

note = "Funding Information: This work was supported by the National Natural Science Foundation of China [grant number 11372104], [grant number 75121543], [grant number 11332013], [grant number 11372363].",

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doi = "10.1080/08927022.2016.1154550",

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T1 - Investigation of interfacial mechanical properties of graphene-polymer nanocomposites

AU - Liu, Feng

AU - Hu, Ning

AU - Han, Meng

AU - Atobe, Satoshi

AU - Ning, Huiming

AU - Liu, Yaolu

AU - Wu, Liangke

N1 - Funding Information: This work was supported by the National Natural Science Foundation of China [grant number 11372104], [grant number 75121543], [grant number 11332013], [grant number 11372363].

PY - 2016/9/21

Y1 - 2016/9/21

N2 - A series of graphene (GR) pull-out simulations based on molecular dynamics (MD) were carried out to investigate the interfacial mechanical properties between GR and a polymer matrix (polyethylene: PE). The effects of pull-out velocity, number of vacancy defect in GR and temperature on the interfacial mechanical properties of a GR/PE nanocomposite system were explored. The obtained results showed that the pull-out velocity and the temperature have significant influences on the interfacial mechanical properties for a perfect GR. Moderate vacancy defects in GR can effectively enhance the interfacial mechanical properties in GR-based polymer nanocomposites.

AB - A series of graphene (GR) pull-out simulations based on molecular dynamics (MD) were carried out to investigate the interfacial mechanical properties between GR and a polymer matrix (polyethylene: PE). The effects of pull-out velocity, number of vacancy defect in GR and temperature on the interfacial mechanical properties of a GR/PE nanocomposite system were explored. The obtained results showed that the pull-out velocity and the temperature have significant influences on the interfacial mechanical properties for a perfect GR. Moderate vacancy defects in GR can effectively enhance the interfacial mechanical properties in GR-based polymer nanocomposites.

KW - Molecular dynamics

KW - graphene

KW - interfacial mechanical property

KW - nanocomposites

KW - pull-out simulation

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DO - 10.1080/08927022.2016.1154550

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EP - 1170

JO - Molecular Simulation

JF - Molecular Simulation

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ER -

Investigation of interfacial mechanical properties of graphene-polymer nanocomposites

Abstract

Keywords

ASJC Scopus subject areas

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