About this Abstract |
Meeting |
6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
|
Symposium
|
6th World Congress on Integrated Computational Materials Engineering (ICME 2022)
|
Presentation Title |
Molecular Dynamics Simulation-Based Polymer Matrix Composite Model |
Author(s) |
Xiawa Wu |
On-Site Speaker (Planned) |
Xiawa Wu |
Abstract Scope |
Predicting the damage and failure of polymer matrix composites (PMCs) is of crucial interest for their reliable performance in the aerospace industry. In this work, a coarse-grained molecular dynamics (CG-MD) model has been developed to characterize the evolution of free volume density in DGEBA polymers under loading and its subsequent plastic deformation. A detailed atomic monomer is coarsened to create the tailored plastic behavior. Cross-linked polymer networks are created under different curing conditions using a dynamic cross-linking algorithm. The free volumes are measured as a function of strain by fitting the largest ellipsoids between neighboring chains in the network. From these simulations, we develop a direct correlation between the evolution of plastic deformation and the free volume density. The results of these simulations are then upscaled into finite element simulations to model the damage and failure of PMCs. |
Proceedings Inclusion? |
Definite: Other |