| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Ceramic Materials and Processing
|
| Presentation Title |
Elucidating the contribution of anion polarizability in anharmonic interactions in oxides and sulphides |
| Author(s) |
Peter A. Greaney, Cameron Chevalier |
| On-Site Speaker (Planned) |
Peter A. Greaney |
| Abstract Scope |
The anharmonic terms in interatomic interactions are central to multiphonon processes. They set the coupling between phonon modes that dictate three- and four-phonon scattering processes central to phonon transport. They also set the strength of overtones in individual IR active vibrational mode’s that set the multiphonon IR adsorption edge. In ionic materials with the same crystal structure one might expect (to first order universal) behavior in the higher order force constants. Here we present a study of how the polarizability of anions and the polarizing power of cations with different ionic potential may break that universality. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Ceramics, Computational Materials Science & Engineering, Modeling and Simulation |