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
It is very challenging to simulate electron-transfer reactions under potential control within high-level electronic structure theory, e. g. to study electrochemical and electrocatalytic reaction mechanisms. We develop a novel method to sample the canonical NVTΦ or NpTΦ ensemble at constant electrode potential in ab initio molecular dynamics…
Photovoltaic materials have seen rapid development in the past decades, propelling the global transition towards a sustainable and CO2-free economy. Storing the day-time energy for night-time usage has become a major challenge to integrate sizeable solar farms into the electrical grid. Developing technologies to convert solar energy directly into…
Crystal Plasticity (CP) modeling [1] is a powerful and well established computational materials science tool to investigate mechanical structure–property relations in crystalline materials. It has been successfully applied to study diverse micromechanical phenomena ranging from strain hardening in single crystals to texture evolution in…
The field of micromechanics has seen a large progress in the past two decades, enabled by the development of instrumented nanoindentation. Consequently, diverse methodologies have been tested to extract fundamental properties of materials related to their plastic and elastic behaviour and fracture toughness. Established experimental protocols are…
Statistical significance in materials science is a challenge that has been trying to overcome by miniaturization. However, this process is still limited to 4-5 tests per parameter variance, i.e. Size, orientation, grain size, composition, etc. as the process of fabricating pillars and testing has to be done one by one. With this project, we aim to…