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

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145 Downloads (Pure)

Resumé

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.
OriginalsprogEngelsk
Titel37th Risø International Symposium on Materials Science
RedaktørerBo Madsen, A. Biel, Y. Kusano, H. Lilholt, L.P. Mikkelsen, L. Mishnaevsky Jr., B.F. Sørensen
Antal sider10
ForlagIOP Publishing
Publikationsdato2 sep. 2016
Sider363-372
Artikelnummer012036
ISBN (Trykt)978-87-93278-94-3
DOI
StatusUdgivet - 2 sep. 2016
Begivenhed37th 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. 20168 sep. 2016
http://www.vindenergi.dtu.dk/english/Research/Conferences/Symp37

Konference

Konference37th Risø International Symposium on Materials Science
LokationSection of Composites and Materials Mechanics Department of Wind Energy Technical University of Denmark Risø Campus
LandDanmark
ByRoskilde
Periode05/09/201608/09/2016
Internetadresse
NavnIOP Conference Series: Materials Science and Engineering
Nummer1
Vol/bind139
ISSN1757-8981

Fingerprint

Graphite
Molecular dynamics
Epoxy Resins
Shear strength
Hydroxyl Radical
Functional groups
Elastic moduli
Mechanical properties
Computer simulation
Composite materials

Citer dette

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). [012036] IOP Publishing. IOP Conference Series: Materials Science and Engineering, Nr. 1, Bind. 139 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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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, 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 proceedingKonferenceartikel i proceedingForskningpeer 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.} }

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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

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). https://doi.org/10.1088/1757-899X/139/1/012036