| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Mechanical Behavior Related to Interface Physics IV
|
| Presentation Title |
Disconnection-mediated twinning in Magnesium: a combined atomistic and phase field approach |
| Author(s) |
Yang Hu, Dennis M. Kochmann, Brandon Runnels |
| On-Site Speaker (Planned) |
Yang Hu |
| Abstract Scope |
The {10-12} twins are formed during the plastic deformation of magnesium and are crucial for its formability, with the nucleation and propagation of disconnections (interfacial dislocations) driving the motion of twin/matrix interfaces. Here, we propose a phase field model informed by molecular dynamics (MD) simulations to model disconnection-mediated twinning. MD simulations provide critical data on interface mobility, motion thresholds, and twin embryo growth dynamics. These data calibrate the phase field model, which incorporates nonconvex grain boundary energy, elasticity, and shear coupling to simulate disconnections emerging under elastic driving forces. The phase field model is further optimized by integrating anisotropic interface mobility and nonlinear interface kinetics from MD simulations, and captures twin microstructures that agree well with experimental observations, demonstrating the model's fidelity. This work highlights the value of integrated atomistic and mesoscale modeling for predicting mechanical behavior and designing advanced materials with tailored properties. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Magnesium, Mechanical Properties |