Modeling Shock Impact & Dissipation in Self-Assembling Polymers
Abstract
The aim of this proposal is to develop and apply new reactive coarse-grained molecular dynamics (MD) models to understand the impact of coordinated bonds, like hydrogen bonds and pi-pi stacking rings - on the self-assembly and shock mechanics of self-assembled elastomers. These new models bridge atomic and microstructural scales to model elastomer mechanics while preserving the precise chemical coordination of the underlying bonds that drive self-assembly. Models will be used to simulate shock propagation and shock-induced plasticity in self-assembled networks with controlled bond coordination, bond cohesion, and microphase separated microstructures. Our efforts will test the hypothesis that the size, shape, and distribution of microphase separated interfaces strongly influence how shock front energy is dissipated into breaking of self-assembled associative bonds. If successful, these research efforts will elucidate the relationships between molecular architecture and self-assembled network morphologies and will identify the specific mechanisms of molecular plasticity that are drive the dissipation of shock energy in self-assembled elastomers during ballistic impact.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jul 24, 2023
- Source ID
- N000142312635
Entities
People
- Thomas O Connor
Organizations
- Carnegie Mellon University
- Office of Naval Research
- United States Navy