About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Defects and Interfaces: Modeling and Experiments
|
Presentation Title |
Understanding Defects, Interfaces, and Their Collective Dynamics |
Author(s) |
Youping Chen |
On-Site Speaker (Planned) |
Youping Chen |
Abstract Scope |
In this talk we would like to show that defect formation during materials synthesis or during the fabrication processes of heterostructures is a multiscale process and consequently the structure and density of defects are highly size dependent. We will then show what multiscale methods can both simulate the kinetic processes that lead to defect formation and quantify the effects of defects and interfaces on mechanical and thermal transport processes. We will present large-scale simulation results to provide a visualization of the formation of defect structures, including atomic-scale dislocation core structure and nano-to micro-scale dislocation networks, in Si/Ge, PbTe/PbSe, and GaN/AlN heterostructures, and compare them with experimental observations. We will also present simulation results to demonstrate the collective dynamics of defects, interfaces, and phonons, as well as the effect on mechanical and thermal behaviors. The mechanisms for defect formation and collective dynamics will be discussed. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Thin Films and Interfaces |