About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Dynamic Behavior of Materials IX
|
Presentation Title |
G-5: Atomistic Investigation of Stress Release Mechanisms of Aramid Fibers |
Author(s) |
Emily Gurniak, Subodh Tiwari, Aiichiro Nakano, Rajiv K Kalia, Priya Vashishta, Paulo Branicio |
On-Site Speaker (Planned) |
Emily Gurniak |
Abstract Scope |
Molecular Dynamics simulations using the Multi-Scale Shock Technique are employed to investigate the deformation and failure mechanisms of poly(p-phenylene terephthalamide) polymer crystals under shock loading. Shock states are generated from the propagation of shock waves with velocity between 4.8 and 10.0 km/s along the [100] and [010] directions, perpendicular to the polymer backbone. Both cases display an elastic regime at low shock velocities and chain cross-linking at high velocities. The intermediate shock velocity regime for the [010] case, displays hydrogen bond scission leading to planar amorphization. In contrast, in the intermediate shock velocity regime for the [100] case, polymer sheets re-arrange preserving hydrogen bonds to form a new crystal structure. These results indicate hydrogen bond preserving (structural phase transformation) and nonpreserving (planar amorphization) shock release mechanisms are essential for understanding the shock performance of aramid fibers and composites such as Kevlar and Twaron. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Polymers, Other |