| About this Abstract |
| Meeting |
TMS Specialty Congress 2025
|
| Symposium
|
8th World Congress on Integrated Computational Materials Engineering (ICME 2025)
|
| Presentation Title |
Molecular Dynamics Simulation of Nanoscale Heterogeneity and Fracture of Epoxies |
| Author(s) |
Xiawa Wu |
| On-Site Speaker (Planned) |
Xiawa Wu |
| Abstract Scope |
Epoxies are widely used in the aerospace industry. Increasing experimental evidence shows that a nanoscale heterogeneous network influences epoxy's failure behavior. However, there is a lack of molecular dynamics (MD) investigation of the heterogeneous nanostructure of epoxies due to the spatial limitation of atomistic simulations. To fill this gap, this work develops MD models with various distributions of cross-links representing highly and sparely cross-linked epoxy regions as observed in experiments and conducts tensile deformation. The simulation results show that alternatively arranged high and low cross-linked epoxy structures predict a brittle fracture. Young's modulus and glass transition temperature show insignificant changes in heterogeneous nanostructures. The ratio of the degrees of high and low cross-links and the sizes and distributions of the heterogeneous regions are investigated. The results of this work indicate the importance of incorporating a heterogeneous network in studying the plastic and failure behavior of epoxies at the nanoscale. |
| Proceedings Inclusion? |
Undecided |