Zhu, L.-F.; Neugebauer, J.; Grabowski, B.: A computationally highly efficient ab initio approach for melting property calculations and practical applications. CALPHAD 2024, Mannheim, Germany (2024)
Zhu, L.-F.: Towards high throughput melting property calculations with ab initio accuracy aided by machine learning potential and pyiron workflow. New Horizons in materials design at MPIE, Düsseldorf, Germany (2023)
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.
In this project, we employ a metastability-engineering strategy to design bulk high-entropy alloys (HEAs) with multiple compositionally equivalent high-entropy phases.