Liu, C.; Shanthraj, P.; Roters, F.; Raabe, D.: Phase-field/CALPHAD methods for multi-phase and multi-component microstructures. The 4th International Symposium on Phase Field Modelling in Materials Science (PF 19), Bochum, Germany (2019)
Sedighiani, K.; Diehl, M.; Roters, F.; Sietsma, J.; Raabe, D.: Obtaining constitutive parameters for a physics-based crystal plasticity model from macro-scale behavior. International Conference on Plasticity, Damage, and Fracture , Panama City, Panama (2019)
Diehl, M.; Shanthraj, P.; Eisenlohr, P.; Roters, F.; Raabe, D.: DAMASK - Düsseldorf Advanced Material Simulation Kit. Seminar of the Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania, Philadelphia, PA, USA (2018)
Diehl, M.; Shanthraj, P.; Eisenlohr, P.; Roters, F.; Raabe, D.: DAMASK - Düsseldorf Advanced Material Simulation Kit. Seminar of the Department of Mechanical Engineering, Villanova University, Villanova, PA, USA (2018)
Diehl, M.; Shanthraj, P.; Eisenlohr, P.; Roters, F.; Raabe, D.: DAMASK - The Düsseldorf Advanced Material Simulation Kit for Modeling Multi-Physics Crystal Plasticity, Thermal, and Damage Phenomena. WCCM 2018, 13th World Congress in Computational Mechanics, New York, USA (2018)
Han, F.; Diehl, M.; Roters, F.; Raabe, D.: Multi-scale modelling of sheet metal forming by coupling FEM with a CP-Spectral solver using the DAMASK modelling package. 10th European Solid Mechanics Conference (ESMC2018), Bologna, Italy (2018)
Roters, F.; Diehl, M.; Wong, S. L.; Shanthraj, P.; Raabe, D.: DAMASK: the Düsseldorf Advanced MAterial Simulation Kit for studying multi-physics crystal plasticity phenomena. 10 Years ICAMS - International Symposium, Bochum, Germany (2018)
Wong, S. L.; Laptyeva, G.; Brüggemann, T.; Karhausen, K.-F.; Roters, F.; Raabe, D.: An improved unified internal state variable model exploiting first principle calculations for flow stress modeling of aluminium alloys. International Conference on Aluminum Alloys (ICAA), Montreal, Canada (2018)
Roters, F.; Diehl, M.; Shanthraj, P.: Coupled Experimental-Numerical Analysis of Strain Partitioning in Metallic Microstructures: The Importance of a 3D Neighborhood. Schöntal Symposium on 'Dislocation based Plasticity, Schöntal, Germany (2018)
Roters, F.; Sharma, L.; Diehl, M.; Shanthraj, P.: Including Damage Modelling into Crystal Plasticity Simulations using the Düsseldorf Advanced Material Simulation Kit DAMASK. Symposium Nano and Micro Scale Damage in Metals, Utrecht, The Netherlands (2018)
Diehl, M.; Shanthraj, P.; Roters, F.; Raabe, D.: Simulation Study on Plasticity and Fracture in Aluminium Based on Real Microstructures. TMS 2018 Annual Meeting & Exhibition, Phoenix, AZ, USA (2018)
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
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…
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…
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…
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…
Electron microscopes offer unique capabilities to probe materials with extremely high spatial resolution. Recent advancements in in situ platforms and electron detectors have opened novel pathways to explore local properties and the dynamic behaviour of materials.