| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Transformations and Microstructural Evolution
|
| Presentation Title |
O-25: Contribution of the Electronic Entropy to Some Congruent and Allotropic Phase Transformations |
| Author(s) |
Jonathan Paras, Antoine Allanore |
| On-Site Speaker (Planned) |
Jonathan Paras |
| Abstract Scope |
Understanding the origin of the entropy in phase transitions opens new avenues for engineering materials. While ubiquitous, both order-disorder and allotropic phase transitions in alloys and transition elements remain difficult to describe quantitatively using conventional thermodynamic and ab-initio modeling techniques. We explore the validity of a formalism that links electronic transport properties and the state electronic entropy in calculating the change in entropy for intermetallics like Cu<sub>3</sub>Au and transition metals such as Fe and Co. Application of this formalism to additional transition metals that exhibit HCP to BCC transitions suggests a possible electron-driven origin of HCP stability. Comparison of our electronic entropy calculations with some estimates of the vibrational and configurational entropy change in various allotropic and congruent phase transitions yield agreement with calorimetrically measured totals. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Phase Transformations, |