| About this Abstract |
| Meeting |
2023 TMS Annual Meeting & Exhibition
|
| Symposium
|
Advances in Multi-Principal Element Alloys II
|
| Presentation Title |
J-58: Non-Equatomic Composition Effect on the Thermodynamic Properties of MoNbTaW |
| Author(s) |
Sarah E. O'Brien, Matthew J Beck |
| On-Site Speaker (Planned) |
Sarah E. O'Brien |
| Abstract Scope |
One of the key characteristics of single-phase Multi-Principal Element Alloys (MPEAs) is the increased entropy, specifically the configurational entropy. An ongoing discussion is the role of vibrational entropy (S<sub>vib</sub>) and phonon density of states (pDOS) in stabilizing single-phase MPEAs. It has been seen that the vibrational properties of MPEAs, specifically the refractory MPEA MoNbTaW, are affected by small variations in the local configuration and composition due to differences in lattice strain and interatomic interactions. It has also been shown that non-equatomic compositions can increase the stability in certain systems. We have used density functional perturbation theory to explore the connection between the shifted compositions of MoNbTaW and of both pDOS and S<sub>vib</sub>. The concentrations of specific elements and local configuration of atoms is also explored. The results highlight the impact of specific elements and local arrangement on the stability of this refractory MPEA. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
High-Entropy Alloys, Computational Materials Science & Engineering, |