Hou, J.; Zhang, Z.; Preis, W.; Sitte, W.; Dehm, G.: Electrical properties and structure of grain boundaries in n-conducting BaTiO3 ceramics. Journal of the European Ceramic Society 31 (5), pp. 763 - 771 (2011)
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.
The computational materials design department in collaboration with the Technical University Darmstadt and the Ruhr University Bochum developed a workflow to calculate phase diagrams from ab-initio. This achievement is based on the expertise in the ab-initio thermodynamics in combination with the recent advancements in machine-learned interatomic…