About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium: Interface Structure and Properties: Impact on Microstructure Evolution
|
| Presentation Title |
Structural phase transformations in transition metal dichalcogenide monolayers: bend, shuffle, and slip |
| Author(s) |
Mikko P. Haataja |
| On-Site Speaker (Planned) |
Mikko P. Haataja |
| Abstract Scope |
In certain classes of layered transition metal-based compounds, it may be possible to exploit strain-induced structural transformations to switch between semiconducting and metallic in-plane crystal structures. In this talk I will provide an overview of our efforts over the past decade to develop ab-initio informed, mesoscale continuum models – both phase-field and phase-field crystal ones – to investigate such transformations in both chemically homogeneous and heterogeneous monolayer systems. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Phase Transformations, |