About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Strings and rings in the atomic dynamics of partially disordered interfaces |
| Author(s) |
Omar Hussein, Yang Li, Yuri Mishin |
| On-Site Speaker (Planned) |
Yuri Mishin |
| Abstract Scope |
It has long been believed that the atomic dynamics in disordered structures, such as pre-melted interfaces, are characterized by collective atomic rearrangements in the form of quasi-one-dimensional chains of atomic displacements (strings) and their closed forms (rings). Here, we demonstrate using molecular dynamics simulations that strings comprising more than a few atoms do not form through a single collective event. Instead, they represent trajectories of propagating local density perturbations, which we refer to as densitons. The atoms on the trajectory are almost indistinguishable from their environments except for the moving head of the string (densiton). A densiton migrates by either single-atom jumps or a concerted rearrangement of 2-4 atoms. The simulations reveal a remarkable similarity between the strings in disordered interfaces and in crystalline structures, in which the densitons localize into point defects. We discuss how the densiton model can shed light on the atomic dynamics in high-temperature interfaces. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Thin Films and Interfaces |