Probing the Mechanical Properties of Graphene and Graphene-Polymer Nanocomposites Using Molecular Dynamics Simulations

Simple item page
dc.contributor.advisorJian, Cuiying
dc.contributor.authorMonji, Fatemeh
dc.date.accessioned2022-08-08T15:43:39Z
dc.date.available2022-08-08T15:43:39Z
dc.date.copyright2022-01-14
dc.date.issued2022-08-08
dc.date.updated2022-08-08T15:43:39Z
dc.degree.disciplineMechanical Engineering
dc.degree.levelMaster's
dc.degree.nameMASc - Master of Applied Science
dc.description.abstractIn the literature, few works have been focused on revealing fundamental mechanisms for the effects of non-bonded interlayer interactions on the mechanical properties of multilayer graphene. To bridge this gap, a series of molecular dynamics simulations was performed in this thesis to provide information from atomistic levels. It was revealed that non-bonded interactions play different roles during tensile stretch and nanoindentation. More importantly, strain analysis suggested that while interlayer interactions have insignificant effects on the distribution of normal strains, they can initiate "strain shielding" for the distribution of shear strains. Hybrids of graphene/boron nitride sheets were then built as demonstrations to further validate these findings. Following this, a set of indentation simulations was performed on graphene/polymer composite to probe the reinforcing role of bi-/tri-layer graphene under different indentation conditions. The results reported in this thesis shed lights on the design of mechanically robust multilayer graphene as well as graphene-reinforced composites.
dc.identifier.urihttp://hdl.handle.net/10315/39569
dc.languageen
dc.rightsAuthor owns copyright, except where explicitly noted. Please contact the author directly with licensing requests.
dc.subjectPhysical chemistry
dc.subject.keywordsGraphene
dc.subject.keywordsTensile
dc.subject.keywordsNanoindentation
dc.subject.keywordsMolecular dynamics
dc.subject.keywordsHybrid graphene boron nitride (BN)
dc.subject.keywordsInterlayer interaction
dc.subject.keywordsStrain shielding
dc.titleProbing the Mechanical Properties of Graphene and Graphene-Polymer Nanocomposites Using Molecular Dynamics Simulations
dc.typeElectronic Thesis or Dissertation

Files

Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Thesis-_Fatemeh_Monji-222022updated.pdf
Size:
5.7 MB
Format:
Adobe Portable Document Format
Download
License bundle
Now showing 1 - 2 of 2
No Thumbnail Available
Name:
license.txt
Size:
1.87 KB
Format:
Plain Text
Description:
Download
No Thumbnail Available
Name:
YorkU_ETDlicense.txt
Size:
3.39 KB
Format:
Plain Text
Description:
Download

Collections

Mechanical Engineering

All items in the YorkSpace institutional repository are protected by copyright, with all rights reserved except where explicitly noted.