| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Phase Stability, Phase Transformations, and Reactive Phase Formation in Electronic Materials XX
|
| Presentation Title |
Towards Predictive Solid-state Synthesis: Understanding Phase Evolution during the Formation of YBCO |
| Author(s) |
Chris Bartel |
| On-Site Speaker (Planned) |
Chris Bartel |
| Abstract Scope |
Solid-state synthesis is the bedrock of inorganic materials chemistry and an integral component of materials design. However, this approach is typically a “black box”, where the only observation is what formed from the precursor materials after a reaction at a predetermined set of conditions. In order to rationally synthesize new inorganic materials, it is critical to not only understand but predict what intermediates form and how they influence the reaction towards the synthesized phase(s). Using in situ synchrotron X-ray diffraction and transmission electron microscopy, we are able to show the evolution of phases during YBCO synthesis for the first time. Importantly, at each step of the synthesis pathway, we rationalize phase evolution within a thermodynamic framework built upon density functional theory calculations and a machine-learned descriptor for compound thermochemistry. |
| Proceedings Inclusion? |
Planned: |