Roters, F.; Eisenlohr, P.; Bieler, T. R.; Raabe, D.: Crystal Plasticity Finite Element Methods in Materials Science and Engineering. Wiley-VCH, Weinheim (2010), 197 pp.
Janssens, K. G. F.; Raabe, D.; Kozeschnik, E.; Miodownik, M. A.; Nestler, B.: Computational Materials Engineering – An Introduction to Microstructure Evolution. Academic Press, Elsevier, USA (2007), 360 pp.
Shanthraj, P.; Diehl, M.; Eisenlohr, P.; Roters, F.; Raabe, D.: Spectral Solvers for Crystal Plasticity and Multi-physics Simulations. In: Handbook of Mechanics of Materials, pp. 1347 - 1372 (Eds. Hsueh, C.-H.; Schmauder, S.; Chen, C.-S.; Chawla, K. K.; Chawla, N. et al.). Springer, Singapore (2019)
Friák, M.; Raabe, D.; Neugebauer, J.: Ab Initio Guided Design of Materials. In: Structural Materials and Processes in Transportation, pp. 481 - 495 (Eds. Lehmhus, D.; Busse, M.; Herrmann, A. S.; Kayvantash, K.). Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim, Germany (2013)
Tikhovskiy, I.; Raabe, D.; Roters, F.: Anwendung der Textur-Komponenten-Kristallplastizitäts-FEM für die Simulation von Umformprozessen unter Berücksichtigung des Texturgradienten. In: Prozessskalierung, Strahltechnik, Tagungsband des 2. Kolloquiums Prozessskalierung im Rahmen des DFG Schwerpunktprogramms Prozessskalierung, Vol. 27, pp. 157 - 166 (Ed. Vollertsen, F.). BIAS-Verlag, Bremen (2005)
Raabe, D.: Drowning in data - A viewpoint on strategies for doing science with simulations. In: Handbook of Materials Modeling, pp. 2687 - 2693 (Ed. Yip, S.). Springer, The Netherlands (2005)
Raabe, D.: Recrystallization Simulation by use of Cellular Automata. In: Handbook of Materials Modeling, pp. 2173 - 2203 (Ed. Yip, S.). Springer, Netherlands (2005)
Raabe, D.; Roters, F.: How do 10^10 crystals co-deform. In: Weitab vom Hookeschen Gesetz -- Moderne Ansätze der Ingenieurpraxis großer inelastischer Deformationen metallischer Werkstoffe (Eds. Kollmann, F. G.; G., G.; Akademie der Wissenschaften und der Literatur, Mainz, Germany). Franz Steiner Verlag, Stuttgart, Germany (2005)
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 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…
It is very challenging to simulate within DFT extreme electric fields (a few 1010 V/m) at a surface, e.g. for studying field evaporation, the key mechanism in atom probe tomography (APT). We have developed a straight-forward scheme to incorporate an ideal plate counter-electrode in a nominally charged repeated-slab calculation by means of a generalized dipole correction of the standard electrostatic potential obtained from fully periodic FFT.