| About this Abstract |
| Meeting |
TMS Specialty Congress 2025
|
| Symposium
|
8th World Congress on Integrated Computational Materials Engineering (ICME 2025)
|
| Presentation Title |
Design Principles for Controlling the Miscibility in Refractory Multi-Principal Component Alloys |
| Author(s) |
John Cavin, Pravan Omprakash, Rohan Mishra |
| On-Site Speaker (Planned) |
John Cavin |
| Abstract Scope |
The high-dimensional compositional space of multi-principal component alloys (MPCAs) challenges traditional methods for efficiently predicting phase stability to design alloys. For applications like catalysis, single-phase miscible solid solutions are desirable, whereas hard precipitates in a solid solution matrix suit high-temperature structural uses. Design principles to deliberately control the miscibility of MPCAs and rapidly identify regions in the multidimensional space where single phase or mixed phase microstructures are expected to be thermodynamically stable are of interest. We address this need through a thermodynamic model that generates high-dimensional convex hulls of alloy free energies using polynomial enthalpy models fit to the free-energy of equimolar and non-equimolar solid solutions and precipitates derived from density-functional theory calculations. We present results on refractory high entropy alloys with up to six elements that exhibit promising miscibility predictions, along with design principles for selecting additive elements to stabilize otherwise immiscible equimolar alloys and vice-versa. |
| Proceedings Inclusion? |
Undecided |