A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets

Liliana Sofia S. F. P. Melro; Ryszard Pyrz; Lars Rosgaard Jensen

doi:10.1088/1757-899X/139/1/012036

A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets

Liliana Sofia S. F. P. Melro, Ryszard Pyrz, Lars Rosgaard Jensen

Materials Science and Engineering

Publikation: Bidrag til bog/antologi/rapport/konference proceeding › Konferenceartikel i proceeding › Forskning › peer review

15 Citationer (Scopus)

298 Downloads (Pure)

Abstract

The interaction between graphene and epoxy resin was studied using molecular dynamics simulations. The interfacial shear strength and pull out force were calculated for functionalised graphene layers (carboxyl, carbonyl, and hydroxyl) and epoxy composites interfaces. The influence of functional groups, as well as their distribution and coverage density on the graphene sheets were also analysed through the determination of the Young's modulus. Functionalisation proved to be detrimental to the mechanical properties, nonetheless according to interfacial studies the interaction between graphene and epoxy resin increases.

Originalsprog	Engelsk
Titel	37th Risø International Symposium on Materials Science
Redaktører	Bo Madsen, A. Biel, Y. Kusano, H. Lilholt, L.P. Mikkelsen, L. Mishnaevsky Jr., B.F. Sørensen
Antal sider	10
Forlag	IOP Publishing
Publikationsdato	2 sep. 2016
Sider	363-372
Artikelnummer	012036
ISBN (Trykt)	978-87-93278-94-3
DOI	https://doi.org/10.1088/1757-899X/139/1/012036
Status	Udgivet - 2 sep. 2016
Begivenhed	37th Risø International Symposium on Materials Science - Section of Composites and Materials Mechanics Department of Wind Energy Technical University of Denmark Risø Campus, Roskilde, Danmark Varighed: 5 sep. 2016 → 8 sep. 2016 http://www.vindenergi.dtu.dk/english/Research/Conferences/Symp37

Konference

Konference	37th Risø International Symposium on Materials Science
Lokation	Section of Composites and Materials Mechanics Department of Wind Energy Technical University of Denmark Risø Campus
Land/Område	Danmark
By	Roskilde
Periode	05/09/2016 → 08/09/2016
Internetadresse	http://www.vindenergi.dtu.dk/english/Research/Conferences/Symp37

Navn	IOP Conference Series: Materials Science and Engineering
Nummer	1
Vol/bind	139
ISSN	1757-8981

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10.1088/1757-899X/139/1/012036Licens: CC BY 3.0

Open Access articleForlagets udgivne version, 1,81 MBLicens: CC BY 3.0

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Citationsformater

Melro, L. S. S. F. P., Pyrz, R., & Jensen, L. R. (2016). A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets. I B. Madsen, A. Biel, Y. Kusano, H. Lilholt, L. P. Mikkelsen, L. Mishnaevsky Jr., & B. F. Sørensen (red.), 37th Risø International Symposium on Materials Science (s. 363-372). Artikel 012036 IOP Publishing. https://doi.org/10.1088/1757-899X/139/1/012036

Melro, Liliana Sofia S. F. P. ; Pyrz, Ryszard ; Jensen, Lars Rosgaard. / A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets. 37th Risø International Symposium on Materials Science. red. / Bo Madsen ; A. Biel ; Y. Kusano ; H. Lilholt ; L.P. Mikkelsen ; L. Mishnaevsky Jr. ; B.F. Sørensen. IOP Publishing, 2016. s. 363-372 (IOP Conference Series: Materials Science and Engineering; Nr. 1, Bind 139).

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abstract = "The interaction between graphene and epoxy resin was studied using molecular dynamics simulations. The interfacial shear strength and pull out force were calculated for functionalised graphene layers (carboxyl, carbonyl, and hydroxyl) and epoxy composites interfaces. The influence of functional groups, as well as their distribution and coverage density on the graphene sheets were also analysed through the determination of the Young's modulus. Functionalisation proved to be detrimental to the mechanical properties, nonetheless according to interfacial studies the interaction between graphene and epoxy resin increases.",

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publisher = "IOP Publishing",

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Melro, LSSFP, Pyrz, R & Jensen, LR 2016, A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets. i B Madsen, A Biel, Y Kusano, H Lilholt, LP Mikkelsen, L Mishnaevsky Jr. & BF Sørensen (red), 37th Risø International Symposium on Materials Science., 012036, IOP Publishing, IOP Conference Series: Materials Science and Engineering, nr. 1, bind 139, s. 363-372, 37th Risø International Symposium on Materials Science, Roskilde, Danmark, 05/09/2016. https://doi.org/10.1088/1757-899X/139/1/012036

A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets. / Melro, Liliana Sofia S. F. P.; Pyrz, Ryszard; Jensen, Lars Rosgaard.
37th Risø International Symposium on Materials Science. red. / Bo Madsen; A. Biel; Y. Kusano; H. Lilholt; L.P. Mikkelsen; L. Mishnaevsky Jr.; B.F. Sørensen. IOP Publishing, 2016. s. 363-372 012036 (IOP Conference Series: Materials Science and Engineering; Nr. 1, Bind 139).

Publikation: Bidrag til bog/antologi/rapport/konference proceeding › Konferenceartikel i proceeding › Forskning › peer review

TY - GEN

T1 - A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets

AU - Melro, Liliana Sofia S. F. P.

AU - Pyrz, Ryszard

AU - Jensen, Lars Rosgaard

N1 - @article{1757-899X-139-1-012036, author={L S Melro and R Pyrz and L R Jensen}, title={A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets}, journal={IOP Conference Series: Materials Science and Engineering}, volume={139}, number={1}, pages={012036}, url={http://stacks.iop.org/1757-899X/139/i=1/a=012036}, year={2016}, abstract={The interaction between graphene and epoxy resin was studied using molecular dynamics simulations. The interfacial shear strength and pull out force were calculated for functionalised graphene layers (carboxyl, carbonyl, and hydroxyl) and epoxy composites interfaces. The influence of functional groups, as well as their distribution and coverage density on the graphene sheets were also analysed through the determination of the Young's modulus. Functionalisation proved to be detrimental to the mechanical properties, nonetheless according to interfacial studies the interaction between graphene and epoxy resin increases.} }

PY - 2016/9/2

Y1 - 2016/9/2

N2 - The interaction between graphene and epoxy resin was studied using molecular dynamics simulations. The interfacial shear strength and pull out force were calculated for functionalised graphene layers (carboxyl, carbonyl, and hydroxyl) and epoxy composites interfaces. The influence of functional groups, as well as their distribution and coverage density on the graphene sheets were also analysed through the determination of the Young's modulus. Functionalisation proved to be detrimental to the mechanical properties, nonetheless according to interfacial studies the interaction between graphene and epoxy resin increases.

AB - The interaction between graphene and epoxy resin was studied using molecular dynamics simulations. The interfacial shear strength and pull out force were calculated for functionalised graphene layers (carboxyl, carbonyl, and hydroxyl) and epoxy composites interfaces. The influence of functional groups, as well as their distribution and coverage density on the graphene sheets were also analysed through the determination of the Young's modulus. Functionalisation proved to be detrimental to the mechanical properties, nonetheless according to interfacial studies the interaction between graphene and epoxy resin increases.

KW - Molecular Dynamics Simulation

KW - Functionalised graphene

KW - Epoxy resin

KW - interface interaction

U2 - 10.1088/1757-899X/139/1/012036

DO - 10.1088/1757-899X/139/1/012036

M3 - Article in proceeding

SN - 978-87-93278-94-3

T3 - IOP Conference Series: Materials Science and Engineering

SP - 363

EP - 372

BT - 37th Risø International Symposium on Materials Science

A2 - Madsen, Bo

A2 - Biel, A.

A2 - Kusano, Y.

A2 - Lilholt, H.

A2 - Mikkelsen, L.P.

A2 - Mishnaevsky Jr., L.

A2 - Sørensen, B.F.

PB - IOP Publishing

T2 - 37th Risø International Symposium on Materials Science

Y2 - 5 September 2016 through 8 September 2016

ER -

Melro LSSFP, Pyrz R, Jensen LR. A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets. I Madsen B, Biel A, Kusano Y, Lilholt H, Mikkelsen LP, Mishnaevsky Jr. L, Sørensen BF, red., 37th Risø International Symposium on Materials Science. IOP Publishing. 2016. s. 363-372. 012036. (IOP Conference Series: Materials Science and Engineering; Nr. 1, Bind 139). doi: 10.1088/1757-899X/139/1/012036

A molecular dynamics study on the interaction between epoxy and functionalized graphene sheets

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