| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Biological Materials Science
|
| Presentation Title |
K-10: Revealing Toughening Mechanisms in Coconut Endocarp |
| Author(s) |
Ning Zhang, Sharmi Mazumder |
| On-Site Speaker (Planned) |
Ning Zhang |
| Abstract Scope |
Coconut endocarp is a notable cellular biomaterial that simultaneously exhibits low weight, high strength, high hardness and high toughness. However, given that coconut endocarp exhibits sophisticated hierarchical structures it is hypothesized that the combination of properties arises from synergies between microstructures at different length scales. In this work, we employed both all-atomistic (AA) and coarse-grained (CG) molecular dynamics (MD) simulations to identify the toughening mechanisms in coconut endocarp. A CG-MD/bead-spring model is constructed. We use hyper elasticity to describe behavior of domain in cellulose, hemicellulose and lignin. The simulation results emphasize that the interfacial strength of the CG model highly depends on the number of hydrogen bonds generation and intermolecular packing of beads consists of monomers under external loading. The structural influences of key features like pits and cell wall layers have considered in this model that predicts the interfacial structure-property relationships accurately at mesoscale. |
| Proceedings Inclusion? |
Planned: |