Designing the Future of Hydrogen Storage: The Hidden Power of High-Entropy Alloys

This project explores a new frontier in materials science, high-entropy alloys, complex metallic systems that defy traditional metallurgical rules. Formed from five or more elements in near-equal proportions, these alloys offer extraordinary compositional freedom and atomic disorder , a fertile ground for trapping and releasing hydrogen with unprecedented control.

By combining ab-initio modeling and molecular dynamics simulations, the research seeks to design new multi-element alloys capable of forming stable yet reversible hydrides. Through the fine balance of lattice distortion, diffusion kinetics, and microstructural stability, the study aims to reveal how atomic-scale interactions can redefine hydrogen storage efficiency.