Schneider, A.; Fu, C.-C.; Waseda, O.; Barreteau, C.; Hickel, T.: Ab initio based models for temperature-dependent magnetochemical interplay in bcc Fe–Mn alloys. Physical Review B 103 (2), 024421 (2021)
Waseda, O.: Machine-Learning assisted Heisenberg model for systems with ill-defined magnetic interactions. Thermec 2018 Conference, Paris, France (2018)
The aim of the current study is to investigate electrochemical corrosion mechanisms by examining the metal-liquid nanointerfaces. To achieve this, corrosive fluids will be strategically trapped within metal structures using novel additive micro fabrication techniques. Subsequently, the nanointerfaces will be analyzed using cryo-atom probe…
In this project we study a new strategy for the theory-guided bottom up design of beta-Ti alloys for biomedical applications using a quantum mechanical approach in conjunction with experiments. Parameter-free density functional theory calculations are used to provide theoretical guidance in selecting and optimizing Ti-based alloys...