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

37th Risø International Symposium on Materials Science

Melro, L.S.^1 ; Pyrz, R.^1 ; Jensen, L.R.^1

Department of Mechanical and Manufacturing Engineering, Aalborg University, Aalborg, Denmark^1

关键词: Coverage densities;    Functionalisation;    Functionalized graphene;    Graphene layers;    Graphene sheets;    Interfacial shear strength;    Interfacial study;    Molecular dynamics simulations;   

Others  :  https://iopscience.iop.org/article/10.1088/1757-899X/139/1/012036/pdf
DOI  :  10.1088/1757-899X/139/1/012036

来源: IOP

【 摘 要 】

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.