Roters, F.; Raabe, D.; Gottstein, G.: Work hardening in heterogeneous alloys - A microstructural approach based on three internal state variables. Acta Materialia 48 (17), pp. 4181 - 4189 (2000)
Raabe, D.; Becker, R. C.: Coupling of a crystal plasticity finite element model with a probabilistic cellular automaton for simulating primary static recrystallization in aluminum. Modelling and Simulation in Materials Science and Engineering 8, pp. 445 - 462 (2000)
Raabe, D.; Miyake, K.; Takahara, H.: Processing, microstructure, and properties of ternary high-strength Cu–Cr–Ag in situ composites. Material Science and Engineering A 291, pp. 186 - 197 (2000)
Raabe, D.; Mattissen, D.: Experimental investigation and Ginzburg-Landau modeling of the microstructure dependence of superconductivity in Cu–Ag–Nb wires. Acta Materialia 47 (3), pp. 769 - 777 (1999)
Mattissen, D.; Raabe, D.; Heringhaus, F.: Experimental investigation and modeling of the influence of microstructure on the resistive conductivity of a Cu–Ag–Nb in situ composite. Acta Materialia 47, pp. 1627 - 1634 (1999)
Marx, V.; Raabe, D.; Engler, O.; Gottstein, G.: Simulation of the texture evolution during annealing of cold rolled BCC and FCC matals using a cellular automation approach. Textures and Microstructures 28, pp. 211 - 218 (1997)
Raabe, D.: Texture simulation for hot rolling of aluminium by use of a Taylor model considering grain interactions. Acta Metallurgica et Materialia 43 (3), pp. 1023 - 1028 (1995)
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)
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
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…
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…
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…
Crystal plasticity modelling has gained considerable momentum in the past 20 years [1]. Developing this field from its original mean-field homogenization approach using viscoplastic constitutive hardening rules into an advanced multi-physics continuum field solution strategy requires a long-term initiative. The group “Theory and Simulation” of…
The project Hydrogen Embrittlement Protection Coating (HEPCO) addresses the critical aspects of hydrogen permeation and embrittlement by developing novel strategies for coating and characterizing hydrogen permeation barrier layers for valves and pumps used for hydrogen storage and transport applications.