| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
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| Symposium
|
Structure-Property Relationships in Molecular Crystal Deformation
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| Presentation Title |
Multiscale Modeling of Material Strength for the Shock-to-Detonation Behavior in Heterogeneous PETN
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| Author(s) |
James Stewart, Mitchell Wood, David Damm |
| On-Site Speaker (Planned) |
James Stewart |
| Abstract Scope |
Shock-wave energy is localized by voids and defects, creating hotspots that release energy which support growth of the shock wave to steady detonation. Modeling and simulation of how these microstructural features affect the ignition and growth process in energetic materials is an active area of research. Critical to these models is the strain rate-dependent yield and failure of single grains during compression, which generates heat for chemical initiation. Unfortunately, experimental data for the high-strain rate response of explosive materials at micron length-scales is difficult to obtain. Thus, we used molecular dynamics (MD) simulations of pore collapse for shock pressures spanning the viscoplastic to hydrodynamic regimes to calibrate the Steinberg-Guinan-Lund (SGL) strength model for use in mesoscale shock-initiation models of PETN. Mesoscale shock-initiation simulations of PETN that explicitly simulate the shock-to-detonation transition are performed to demonstrate the utility and success in upscaling MD results into complex hydrodynamic models of heterogenous explosives. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Mechanical Properties, Other |