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)
Raabe, D.; Jovičević-Klug, M.; Ma, Y.; Büyükuslu, Ö.; Springer, H.; Rodrigues Souza Filho, I.: Hydrogen Plasma Reduction of Iron Oxides. Advances in Pyrometallurgy Symposium, held at the TMS Annual Meeting and Exhibition, TMS 2023, San Diego, CA, USA, March 19, 2023 - March 23, 2023. The Minerals, Metals & Materials Serie, pp. 83 - 84 (2023)
Raabe, D.; Springer, H.; Filho, I.; Ma, Y.: Hydrogen-Based Direct Reduction of Iron Oxides. Advances in Pyrometallurgy Symposium, held at the TMS Annual Meeting and Exhibition, TMS 2023, San Diego, CA, USA, March 19, 2023 - March 23, 2023. JOM-Journal of the Minerals Metals & Materials Society, pp. 107 - 108 (2023)
Lenz, M.; Wu, M.; He, J.; Makineni, S. K.; Gault, B.; Raabe, D.; Neumeier, S.; Spiecker, E.: Atomic Structure and Chemical Composition of Planar Fault Structures in Co-Base Superalloys. 14th International Symposium on Superalloys, Superalloys 2021, Seven Springs, PA, USA, September 12, 2021 - September 16, 2021. Minerals, Metals and Materials Series, pp. 920 - 928 (2020)
Zhao, H.; Gault, B.; De Geuser, F.; Ponge, D.; Raabe, D.: Grain boundary segregation and precipitation in an Al–Zn–Mg–Cu alloy. In: edp Sciences, MATEC Web of Conferences, Section Plenary Lecture & ECR Award Recipients, Vol. 326, 01004. The 17th International Conference on Aluminium Alloys 2020 (ICAA17) , Grenoble, France, October 26, 2020 - October 29, 2020. (2020)
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
While Density Functional Theory (DFT) is in principle exact, the exchange functional remains unknown, which limits the accuracy of DFT simulation. Still, in addition to the accuracy of the exchange functional, the quality of material properties calculated with DFT is also restricted by the choice of finite bases sets.
The Atom Probe Tomography group in the Microstructure Physics and Alloy Design department is developing integrated protocols for ultra-high vacuum cryogenic specimen transfer between platforms without exposure to atmospheric contamination.
Here, we aim to develop machine-learning enhanced atom probe tomography approaches to reveal chemical short/long-range order (S/LRO) in a series of metallic materials.
Hydrogen embrittlement is one of the most substantial issues as we strive for a greener future by transitioning to a hydrogen-based economy. The mechanisms behind material degradation caused by hydrogen embrittlement are poorly understood owing to the elusive nature of hydrogen. Therefore, in the project "In situ Hydrogen Platform for…
Complex simulation protocols combine distinctly different computer codes and have to run on heterogeneous computer architectures. To enable these complex simulation protocols, the CM department has developed pyiron.
In order to estimate the kinetics of thermally activated processes, one must determine the energy of the transition state. This transition state is a first-order saddle point on the potential energy surface, i.e., it is a maximum along the reaction coordinate, but a minimum with respect to all other directions in configurational space. We have…