Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Perlado, J. M.; Marian, J.: An atomistically-informed crystal plasticity model to predict the temperature dependence of the yield strength of single-crystal tungsten. XXV International Workshop on Computational Micromechanics of Materials, Bochum, Germany (2015)
Roters, F.; Zhang, S.; Shantraj, P.: Including damage modelling into crystal plasticity simulation. XXV International Workshop on Computational Micromechanics of Materials, Bochum, Germany (2015)
Wong, S. L.; Roters, F.: Multiscale micromechanical modelling for advanced high strength steels including both the TRIP and TWIP effect. XXV International Workshop on Computational Micromechanics of Materials, Bochum, Germany (2015)
Diehl, M.; Eisenlohr, P.; Roters, F.; Shanthraj, P.; Reuber, J. C.; Raabe, D.: DAMASK: The Düsseldorf Advanced Material Simulation Kit for studying crystal plasticity using an FE based or a spectral numerical solver. Seminar of the Centro Nacional de Investigaciones Metalúrgicas (CENIM) del CSIC , Madrid, Spain (2015)
Roters, F.: Multi-scale Micromechanics and Damage: From Model Development to Real Systems. IEK-Kolloquium „Simulation von Energiematerialien“
, Jülich, Germany (2015)
Wong, S. L.; Roters, F.: A crystal plasticity model for advanced high strength steels including both TRIP and TWIP effect. 12th International Conference on the Mechanical Behavior of Materials ICM 12
, Karlsruhe, Germany (2015)
Diehl, M.; Shanthraj, P.; Roters, F.; Tasan, C. C.; Raabe, D.: A Virtual Laboratory to Derive Mechanical Properties. M2i Conference "High Tech Materials: your world - our business"
, Sint Michielgestel, The Netherlands (2014)
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.