| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Bridging Scale Gaps in Multiscale Materials Modeling in the Age of Artificial Intelligence
|
| Presentation Title |
Atomistically-Informed Discrete Dislocation Dynamics Simulations of Shock in Aluminum |
| Author(s) |
Andre Archer, Cameron Frampton, Douglas E. Spearot |
| On-Site Speaker (Planned) |
Douglas E. Spearot |
| Abstract Scope |
Discrete dislocation dynamics (DDD) is a powerful mesoscale modeling technique that explicitly simulates the dynamics and interactions of dislocations during mechanical loading. The accuracy of DDD simulations depends critically on the understanding of dislocation behavior. Two examples are (i) the mobility function used to specify dislocation velocity as a function of driving force and (ii) thresholds and length scales associated with dislocation nucleation during shock. The objective of this work is to employ molecular dynamics (MD) simulations to provide key data related to dislocation behaviors, that cannot be attained experimentally, and to upscale this information into DDD to improve simulation fidelity. Specifically, databases of dislocation mobilities, across a wide range of stress states, are derived from MD simulations and upscaled into DDD. In addition, data related to dislocation nucleation during shock are computed using MD and upscaled to DDD simulations to include dislocation loop nucleation at the mesoscale. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Mechanical Properties, Modeling and Simulation |