Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Atomistic modeling of the strain-induced interactions between C atoms in Fe–C solid solutions. International Workshop on Multiscale Materials Modelling (IWoM3), Berlin, Germany (2009)
Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: First principles study of the alpha-iron stability limits. Ab initio Description of Iron and Steel: Magnetism and Phase diagrams (ADIS 2008), Ringberg Castle, Tegernsee, Germany (2008)
Udyansky, A.; Friák, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: First Principles Study of Fe–C interstitial solid solutions. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)
Friák, M.; Neugebauer, J.: Error-propagation in multi-scale approaches to the elasticity of polycrystals. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Friák, M.; Ma, D.; Sander, B.; Raabe, D.; Neugebauer, J.: Bottom up design of novel titanium-based biomaterials through the combination of ab-initio simulations and experimental methods. Euromat 2007, Nürnberg, Germany (2007)
Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: Hardness anisotropy of crystalline alpha-chitin: An ab-initio based conformational analysis. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
Kim, O.; Friák, M.; Neugebauer, J.: Ab-initio study of formation energies in steel and their relations to the solubility limits of carbon in austenite and ferrite. Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: An ab-initio study of hardness anisotropy of crystalline alpha-chitin. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
Friák, M.; Neugebauer, J.: Anomalous equilibrium volume change of magnetic Fe–Al crystals. 3rd Discussion Meeting on the Development of Innovative Iron Aluminium Alloys, Mettmann, Germany (2006)
Friák, M.; Neugebauer, J.; Sander, B.; Raabe, D.: Ab initio study of chemical and structural trends of Ti-based binary alloys. Materials Research Society fall meeting, Boston, MA, USA (2006)
Friak, M.: Ab initio and density functional calculations. Lecture: CCMX Summer School Course "Modelling in Materials Science: Theory and Applications" at EPFL (Ecole Polytechnique Federale de Lausanne), Lausanne, Switzerland, August 26, 2009 - August 28, 2009
Friák, M.: Ab initio based approaches to the theory-guided materials design. Lecture: EU Regional School – Materials Science, Aachen Institute for Advanced study in Computational Engineering Science (AICES), RWTH Aachen, Germnay, September 22, 2008
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.
Scientists of the Max-Planck-Institut für Eisenforschung pioneer new machine learning model for corrosion-resistant alloy design. Their results are now published in the journal Science Advances
Hydrogen in aluminium can cause embrittlement and critical failure. However, the behaviour of hydrogen in aluminium was not yet understood. Scientists at the Max-Planck-Institut für Eisenforschung were able to locate hydrogen inside aluminium’s microstructure and designed strategies to trap the hydrogen atoms inside the microstructure. This can…
The structure of grain boundaries (GBs) is dependent on the crystallographic structure of the material, orientation of the neighbouring grains, composition of material and temperature. The abovementioned conditions set a specific structure of the GB which dictates several properties of the materials, e.g. mechanical behaviour, diffusion, and…
The project aims to study corrosion, a detrimental process with an enormous impact on global economy, by combining denstiy-functional theory calculations with thermodynamic concepts.