About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Dynamic Interactions Between Dislocations, Interfaces, and Phonons in the PbTe/PbSe System |
| Author(s) |
Nicholas Taormina, Yang Li, Youping Chen |
| On-Site Speaker (Planned) |
Nicholas Taormina |
| Abstract Scope |
We present a quantitative and mechanistic study of phonon-dislocation interactions and their impact on nanoscale thermal transport in PbTe/PbSe heterostructures. Using the Concurrent Atomistic-Continuum (CAC) method, our simulations reproduce the misfit dislocation network and atomic-scale dislocation core structure in excellent agreement with experimental observations. We visualize the interaction between dislocations and phonons and quantify the dislocation vibration amplitude, the phonon energy transmission, and the thermal boundary resistance of the misfit interfaces to illustrate and quantify two distinct phonon-dislocation scattering mechanisms: (1) phonon scattering by the strain field of dislocations, and (2) phonon scattering by the collective vibrational modes of the dislocation network. Additionally, we demonstrate the collective motion of dislocations under ultrafast phonon pulses and quantify this effect on thermal boundary resistance. These findings show the cooperative dynamic nature of phonon and dislocation motion, offering critical insights into how extended defects govern thermal transport in semiconductor heterostructures. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Computational Materials Science & Engineering, Thin Films and Interfaces |