4 papers · 1 filter
Modelling Surface Segregation in Compositionally Complex Alloys with Ab-Initio Accuracy
Alberto Ferrari, Vadim Sotskov, Alexander V. Shapeev +1
Compositionally complex alloys or concentrated solid solutions are the latest frontier in catalyst design, but mixing different elements in one catalyst may result in surface segre…
Discovery of -free high-temperature Ti-Ta-X shape memory alloys from first principles calculations
Alberto Ferrari, Alexander Paulsen, Dennis Langenkämper +6
The rapid degradation of the functional properties of many Ti-based alloys is due to the precipitation of the phase. In the conventional high-temperature shape memory alloy Ti-…
First principles characterization of reversible martensitic transformations
Alberto Ferrari, Davide G. Sangiovanni, Jutta Rogal +1
Reversible martensitic transformations (MTs) are the origin of many fascinating phenomena, including the famous shape memory effect. In this work, we present a fully ab initio proc…
Unusual composition dependence of transformation temperatures in Ti-Ta-X shape memory alloys
Alberto Ferrari, Alexander Paulsen, Jan Frenzel +3
Ti-Ta-X (X = Al, Sn, Zr) compounds are emerging candidates as high-temperature shape memory alloys (HTSMAs). The stability of the one-way shape memory effect (1WE), the exploitable…