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)
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)
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
Many important phenomena occurring in polycrystalline materials under large plastic strain, like microstructure, deformation localization and in-grain texture evolution can be predicted by high-resolution modeling of crystals. Unfortunately, the simulation mesh gets distorted during the deformation because of the heterogeneity of the plastic…
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.
A novel design with independent tip and sample heating is developed to characterize materials at high temperatures. This design is realized by modifying a displacement controlled room temperature micro straining rig with addition of two miniature hot stages.
The structures of grain boundaries (GBs) have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the near-atomic scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability…
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.
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…
Water electrolysis has the potential to become the major technology for the production of the high amount of green hydrogen that is necessary for its widespread application in a decarbonized economy. The bottleneck of this electrochemical reaction is the anodic partial reaction, the oxygen evolution reaction (OER), which is sluggish and hence…
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.