| About this Abstract |
| Meeting |
2024 ASC Technical Conference, US-Japan Joint Symposium, D30 Meeting
|
| Symposium
|
2024 ASC Technical Conference, US-Japan Joint Symposium, D30 Meeting
|
| Presentation Title |
Investigating Effects of Oxidation of Graphene Quantum-Dot in Epoxy Composites – a Molecular Dynamics Study |
| Author(s) |
Prathamesh P. Deshpande, Ozgur Keles |
| On-Site Speaker (Planned) |
Prathamesh P. Deshpande |
| Abstract Scope |
Nanofillers often enhance the utility of thermoset-based composites in different applications by affecting the properties of the matrix. Composites with nano-reinforced polymer matrices have gained usability in various multi-scale applications which include energy storage, electronics, and aerospace. Quantum-dots (QD) are known to be one of the smallest such nanofillers which help fabricate a well-dispersed polymer matrix. Similar to other nanofillers, the chemical functionalization of these materials has a positive effect on the material properties. Like graphene, graphene quantum dots (GQDs) enable greater interfacial contact with the matrix. In addition to the covalent bonding opportunities, other non-bonded interactions like hydrogen bonds and Π - Π stacking help promote intimate contact with the matrix. Experimental studies indicate that functionalized GQDs help strengthen and toughen the composite, but the molecular mechanisms are unknown. A more detailed investigation using atomistic simulations can help unravel the evolution of the nanostructure that assists property enhancements. To improve our understanding, this study uses molecular dynamics to engineer GQDs with varying degrees of oxidation towards graphene oxide quantum dots (GOQDs) and subsequent effect on the epoxy nanocomposite properties. Molecular dynamics tensile simulations were performed to compute the mechanical properties of the quantum dot nanocomposites. Results indicate that certain GQD chemistries have considerable effects on the mechanical response of the material. The nanostructure was further analyzed to provide molecular-level explanations for the improved material properties. |
| Proceedings Inclusion? |
Definite: Post-meeting proceedings |