About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Defects and Interfaces: Modeling and Experiments
|
Presentation Title |
Integrating Atomistic-to-Microscale Simulations with Experiments for Understanding Slip Transfer in Heterogeneous Metallic Materials and Solid Oxides |
Author(s) |
Thanh Phan, Liming Xiong |
On-Site Speaker (Planned) |
Thanh Phan |
Abstract Scope |
In this talk, we will present adaptive concurrent atomistic-continuum (CAC) computational analysis on how a dislocation-mediated slip reacts with the grain boundaries (GBs) in metals and also complex solid oxides. One main novelty of this work will be built upon a coarse-grained description of the dislocations away from the GBs together with a fully atomistic resolution of the structure at the GB within one framework. A mapping of such CAC simulation-revealed mechanisms to the direct experimental observation will be then attempted. We will: (i) characterize the complexity of the local stresses induced by the sequential slip transfer across the GB; (ii) correlate the local stress evolution with the atomic-scale structure reconfiguration at the GB; and (iii) formulate new slip transfer metrics that can incorporate the local stresses and atomic structure descriptor into them for predicting plastic deformation behavior of heterogeneous alloys at the microstructure level. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Mechanical Properties |