| 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 |
Molecular Dynamics Investigation of Bonding Structure and Property Relationships at the Interface Between Cellulose Nanocrystals and Glass Fibers |
| Author(s) |
Xiawa Wu |
| On-Site Speaker (Planned) |
Xiawa Wu |
| Abstract Scope |
A natural nanomaterial, cellulose nanocrystal, has been considered a reinforcement agent at an interphase region of polymer composites. Experimental evidence shows that the adhesion increases when cellulose nanocrystals are added as a coating layer on a glass fiber surface embedded in an epoxy matrix. However, the underlying mechanisms are lacking to support the lab observation. This study uses molecular dynamics simulation to simulate the response at an interphase that consists of a glass fiber surface, a cellulose nanocrystal, and an epoxy matrix. A mode I deformation is conducted on the interphase models, and the response from each material component is captured. The effect of cellulose nanocrystals on the diffusion of epoxy monomers, the distribution of cross-linking sites, the glass transition temperature at the interphase, and the hydrogen bond networks between the glass fiber and cellulose nanocrystals are analyzed. The results provide an in-depth understanding of the roles of cellulose nanocrystals in the interphase region of glass fiber-reinforced epoxy composites. |
| Proceedings Inclusion? |
Definite: Post-meeting proceedings |