Tasan, C. C.; Zaefferer, S.; Raabe, D.: Deformation induced dislocation interactions near martensite-ferrite phase boundaries. MRS Fall Meeting 2011, San Francisco, CA, USA (2011)
Roters, F.; Eisenlohr, P.; Raabe, D.: Eine modulare Kristallplastizitäts Implementierung für Anwendungen vom Einkristall bis zum Bauteil. 14. Workshop Simulation in der Umformtechnik, Dortmund, Germany (2011)
Eisenlohr, P.; Roters, F.; Kords, C.; Diehl, M.; Lebensohn, R.A.; Raabe, D.: Combining characterization and simulation of grain-scale plasticity in three dimensions. EBSD Conference 2011 of the Royal Microscopical Society, Düsseldorf, Germany (2011)
Fabritius, H.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Mechanical Design Principles of Crustacean Cuticle evaluated experimentally and by Ab initio-based Multiscale Simulations. Institute Colloquium, Institut de Mécanique des Fluides et des Solides, CNRS, Strasbourg, France (2011)
Roters, F.; Eisenlohr, P.; Tjahjanto, D. D.; Kords, C.; Raabe, D.: A modular crystal plasticity framework applicable from component to single grain scale. IUTAM Symposium Linking Scales in Computations: From Microstructure to Macro-scale Properties, Pensacola, FL, USA (2011)
Eisenlohr, P.; Kords, C.; Roters, F.; Raabe, D.: How to capture mesoscale plastic strain gradient effects in a physical way -- a look at dislocation mechanics and computational aspects. MST Symposium, Los Alamos National Laboratory, Los Alamos, NM, USA (2011)
Krüger, T.: Hybrid LB-FEM modeling of dense suspensions of deformable particles under shear. SFB TR6 Seminar, Institut für Theoretische Physik II, HHU Düsseldorf, Germany (2011)
Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Pei, Z.; Neugebauer, J.; Raabe, D.: Combining ab initio calculations and high-resolution experiments to understand advanced Mg alloys. German-Korean workshop on the “Production and industrial applications of semi-finished Mg products”, Irsee, Germany (2011)
Krüger, T.: Mesoscopic modeling of red blood cell dynamics. Oberseminar: Theorie komplexer Systeme WS 2010, Institut für Theoretische Physik, Universität Heidelberg, Germany (2010)
Fabritius, H.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Design Principles of Load-bearing Cuticle from different Crustacean Species evaluated experimentally and by Ab initio-based Multiscale Simulations. MRS Fall Meeting 2010, Boston, MA, USA (2010)
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
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 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…
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 goal of this project is to develop an environmental chamber for mechanical testing setups, which will enable mechanical metrology of different microarchitectures such as micropillars and microlattices, as a function of temperature, humidity and gaseous environment.
The development of pyiron started in 2011 in the CM department to foster the implementation, rapid prototyping and application of the highly advanced fully ab initio simulation techniques developed by the department. The pyiron platform bundles the different steps occurring in a typical simulation life cycle in a single software platform and…
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.