| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Grain Boundaries and Interfaces: Metastability, Disorder, and Non-Equilibrium Behavior
|
| Presentation Title |
Dynamic Interaction between Grain Boundary and Structural Defects by Molecular Dynamics Simulation |
| Author(s) |
Liang Zhang, Cheng Lu, Yasushi Shibuta |
| On-Site Speaker (Planned) |
Liang Zhang |
| Abstract Scope |
Understanding the interaction between grain boundary (GB) and various structural defects is of great significance to design high-performance metallic materials through GB engineering. We carried out molecular dynamics (MD) simulations to investigate the dynamic interaction between GBs and different types of structural defects in copper, including void, stacking fault tetrahedra (SFT), dislocation loop, and hydrogen bubble. (1) The GB can migrate itself under the shear strain and can serve as a sink to remove the structural defects. The sink efficiency of GBs is sensitive to their structural characteristics, the size of the defects, and temperature. (2) The dynamic migration of high-angle GBs can significantly accelerate the dissolution time of the structural defects, and GB structural phase transformation provided an efficient diffusion channel for transporting the point defects. (3) Two possible self-healing mechanisms of nanotwinned metals under irradiation were proposed by considering the defective coherent twin boundary structures. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Mechanical Properties |