About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Dynamic Behavior of Materials IX
|
Presentation Title |
Mesoscale Modeling of Deformation Behavior of Fe-based Microstructure under Shock Loading Conditions |
Author(s) |
Ke Ma, Avanish Mishra, Avinash M. Dongare |
On-Site Speaker (Planned) |
Ke Ma |
Abstract Scope |
A novel mesoscale modeling method, Quasi-Coarse-Grained Dynamics (QCGD) is utilized to model the shock deformation behavior of single-crystal and poly-crystal iron microstructures. The QCGD method expands the capability of molecular dynamics (MD) simulations to mesoscale by reducing the number of simulated atoms with scaled interatomic potential. MD and QCGD simulations are carried out to investigate the phase transformation (pressure-induced bcc-to-hcp transition), and reverse transition led deformation twinning behavior in Fe microstructures at various shock loading conditions. The rotation matrix and angle/axis pair are utilized to characterize the deformation twinning and grain recrystallization behavior during various stages of shock loading. MD and QCGD simulations reveal that Fe oriented along [110] direction is prone to twin with the arrival of the release wave compared to other loading orientations. The role of loading conditions and microstructural configuration on the phase transformation and twinning/de-twinning behavior in Fe under shock loading conditions will be discussed. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Iron and Steel |