Nykänen, L.; Honkala, K.: Selectivity in propene dehydrogenation on Pt and Pt3Sn surfaces from first principles. ACS Catalysis 3 (12), pp. 3026 - 3030 (2013)
Nykänen, L.; Todorova, M.; Neugebauer, J.: Ab initio modelling of platinum oxides. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)
Max Planck scientists design a process that merges metal extraction, alloying and processing into one single, eco-friendly step. Their results are now published in the journal Nature.
In this project we developed a phase-field model capable of describing multi-component and multi-sublattice ordered phases, by directly incorporating the compound energy CALPHAD formalism based on chemical potentials. We investigated the complex compositional pathway for the formation of the η-phase in Al-Zn-Mg-Cu alloys during commercial…