Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Thermodynamics of the strain-induced dissolution of cementite in pearlitic structure steel: An ab-initio study. 1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria (2012)
Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Thermodynamic and kinetic effects of elastic strain on the decomposition of cementite in wire-draw pearlitic steel. International scientific seminar: Ab-initio description of iron and steel thermodynamics and kinetics, Ringberg Castle, Tegernsee, Germany (2012)
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…