Roters, F.; Diehl, M.; Shanthraj, P.: On the importance of using 3D microstructures in Crystal Plasticity Simulations. Symposium: 3D materials characterization at all length scales and its applications to iron and steel, Düsseldorf, Germany (2017)
Liu, C.; Diehl, M.; Shanthraj, P.; Roters, F.; Raabe, D.; Sandlöbes, S.; Dong, J.: An integrated crystal plasticity-phase field approach to locally predict twin formation in magnesium. DGM Meeting, "Herausforderungen bei der skalenübergreifenden Modellierung von Werkstoffen ", Regensburg, Germany (2017)
Roters, F.; Wong, S. L.; Shanthraj, P.; Diehl, M.; Raabe, D.: Thermo mechanically coupled simulation of high manganese TRIP/TWIP Steel. 5th International Conference on Material Modeling, ICMM 5, Rome, Italy (2017)
Diehl, M.: Deformation in polycrystals: Theory, implementation, and application of crystal plasticity. Seminar des Instituts für technische Mechanik, TU Clausthal, Clausthal, Germany (2017)
Diehl, M.; Cereceda, D.; Wong, S. L.; Reuber, J. C.; Roters, F.; Raabe, D.: From Phenomenological Descriptions to Physics-based Constitutive Models EPSRC Workshop on Multiscale Mechanics of Deformation and Failure in Materials. EPSRC Workshop on Multiscale Mechanics of Deformation and Failure in Materials
, Aberdeen, Scotland (2016)
Marian, J.; Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.: Unraveling the temperature dependence of the yield strength of tungsten single crystals using atomistically-informed crystal plasticity. 8th International Conference on Multiscale Materials Modeling, MMM2016, Dijon, France (2016)
Cereceda, D.; Diehl, M.; Roters, F.; Raabe, D.; Marian, J.: Unraveling the temperature dependence of the yield strength in BCC metals from atomistically-informed crystal plasticity calculation. Dislocations 2016, Purdue University, West Lafayette, IN, USA (2016)
Diehl, M.; Eisenlohr, P.; Shanthraj, P.; Roters, F.: Using the Spectral Solver. 5th International Symposium on Computational Mechanics of Polycrystals, CMCn 2016 and first DAMASK User Meeting, Düsseldorf, Germany (2016)
Diehl, M.; Naunheim, Y.; Morsdorf, L.; An, D.; Roters, F.; Raabe, D.: Crystal Plasticity Simulations on Real Data: Towards Highly Resolved 3D Microstructures. 26th International Workshop on Computational Mechanics of Materials - IWCMM 26, Tomsk, Russia (2016)
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…
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…
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…
In this project, links are being established between local chemical variation and the mechanical response of laser-processed metallic alloys and advanced materials.