41 citations · 220 across the 20 of their papers we have counts for
3 papers · 1 filter
A hidden low-temperature transformation pathway in compositionally complex materials
Yujiao Li, Elaheh Akbarnejad, Quentin Bizot +9
Most compositionally complex materials (CCMs, frequently referred to as high entropy alloys) are metastable and their attractive properties often belong to kinetically trapped stat…
Accurate Prediction of the Phase Transformation Temperature in Tin via Full Anharmonic Treatment
Petr Šesták, Matous Mrovec, Martin Friák
Predicting the (grey-to-white) transition temperature in tin presents a longstanding challenge for atomistic simulations, with existing theoretical approaches over- or und…
Hydride formation and phase separation in palladium nanoparticles from a transferable atomic cluster expansion potential
Minaam Qamar, Apinya Ngoipala, Matous Mrovec +2
The palladium-hydrogen system is a prototype for hydrogen-metal interactions and underpins technologies such as hydrogen storage, catalysis and purification. Yet its nanoscale beha…