About this Abstract |
Meeting |
2024 TMS Annual Meeting & Exhibition
|
Symposium
|
Chemistry and Physics of Interfaces
|
Presentation Title |
Role of Defects on the Properties of PbTe/PbSe Interfaces |
Author(s) |
Nicholas Taormina, Yang Li, Youping Chen |
On-Site Speaker (Planned) |
Nicholas Taormina |
Abstract Scope |
In this talk, we present a molecular dynamics study on the structures and thermal and mechanical properties of PbTe/PbSe (111) and PbTe/PbSe (100) interphases. The PbTe/PbSe heterostructures are obtained through simulations of the kinetic processes of direct bonding of PbTe and PbSe crystals. The atomic-scale dislocation core structures and the misfit dislocation networks in the heterostructures obtained in the simulations are found to closely match experimental data. Two types of heat transfer experiments are then simulated: the heat sink-heat source experiment and the ultrashort heat pulse experiment. Interfacial thermal resistance and vibration properties of the misfit dislocations are quantified for three distinct interphase types: coherent, semi-coherent, and semi-coherent with pinned dislocations. Simulation results demonstrate a significant effect of the misfit dislocations on the thermal and mechanical properties of the heterostructures, offering key insights into the structure and behavior of the PbTe/PbSe interphases. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Thin Films and Interfaces |