| About this Abstract |
| Meeting |
MS&T22: Materials Science & Technology
|
| Symposium
|
Dynamic Behavior of Materials: Experiments and Molecular Dynamics Simulations
|
| Presentation Title |
Atomic Simulations of Shock Wave Propagation in Polymers and Their Interfaces |
| Author(s) |
Nuwan Dewapriya, Ron Miller |
| On-Site Speaker (Planned) |
Ron Miller |
| Abstract Scope |
We conducted density functional theory (DFT) and molecular dynamics (MD) study of shock wave propagation through polymers and their interfaces with hard materials. First, we examined the fidelity of a non-reactive MD force field by comparing its predictions with available experimental data and DFT calculations. That study helped us establish the upper limits of the shock pressure that can be accurately modeled using the non-reactive MD force field. Subsequently, additional DFT calculations were performed to obtain accurate MD force field parameters to model the adhesive interactions of selected material interfaces. After that, we explicitly modeled the dynamic shock wave propagation and spallation of polymers as well as polymer/ceramic and polymer/metal multilayers. |